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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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/NIID_1-69ad930a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NIID_1-69ad930a/inputs/seq.fa: 1 curr_seq: _CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG 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 150 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: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 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: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 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: 1 Temperature: 1.100000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 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: 1 Temperature: 1.250000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -613.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.591568 (E_RNA) where: Base-Base interactions energy: -29.644 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -887.816166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.816166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.816166 (E_RNA) where: Base-Base interactions energy: -442.968 where: short stacking energy: -440.650 Base-Backbone interact. energy: -0.156 local terms energy: -444.692068 where: bonds (distance) C4'-P energy: -90.766 bonds (distance) P-C4' energy: -100.253 flat angles C4'-P-C4' energy: -103.482 flat angles P-C4'-P energy: -54.570 tors. eta vs tors. theta energy: -95.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -819.609149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.609149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.609149 (E_RNA) where: Base-Base interactions energy: -392.973 where: short stacking energy: -386.099 Base-Backbone interact. energy: -0.609 local terms energy: -426.027377 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -103.430 flat angles C4'-P-C4' energy: -98.935 flat angles P-C4'-P energy: -63.103 tors. eta vs tors. theta energy: -72.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -790.434790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.434790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.434790 (E_RNA) where: Base-Base interactions energy: -388.364 where: short stacking energy: -387.479 Base-Backbone interact. energy: -0.423 local terms energy: -401.647991 where: bonds (distance) C4'-P energy: -89.918 bonds (distance) P-C4' energy: -96.221 flat angles C4'-P-C4' energy: -94.687 flat angles P-C4'-P energy: -51.342 tors. eta vs tors. theta energy: -69.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -760.690205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.690205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.690205 (E_RNA) where: Base-Base interactions energy: -366.350 where: short stacking energy: -353.097 Base-Backbone interact. energy: 2.934 local terms energy: -397.274697 where: bonds (distance) C4'-P energy: -92.036 bonds (distance) P-C4' energy: -89.132 flat angles C4'-P-C4' energy: -93.683 flat angles P-C4'-P energy: -50.606 tors. eta vs tors. theta energy: -71.818 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -701.225760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.225760 (E_RNA) where: Base-Base interactions energy: -326.311 where: short stacking energy: -314.393 Base-Backbone interact. energy: 0.278 local terms energy: -375.192864 where: bonds (distance) C4'-P energy: -85.559 bonds (distance) P-C4' energy: -88.484 flat angles C4'-P-C4' energy: -93.223 flat angles P-C4'-P energy: -53.351 tors. eta vs tors. theta energy: -54.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -665.659310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.659310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.659310 (E_RNA) where: Base-Base interactions energy: -310.475 where: short stacking energy: -297.202 Base-Backbone interact. energy: -0.451 local terms energy: -354.733547 where: bonds (distance) C4'-P energy: -86.442 bonds (distance) P-C4' energy: -85.683 flat angles C4'-P-C4' energy: -82.182 flat angles P-C4'-P energy: -56.572 tors. eta vs tors. theta energy: -43.855 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -621.375653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.375653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.375653 (E_RNA) where: Base-Base interactions energy: -134.421 where: short stacking energy: -134.421 Base-Backbone interact. energy: -0.000 local terms energy: -486.954291 where: bonds (distance) C4'-P energy: -94.850 bonds (distance) P-C4' energy: -103.490 flat angles C4'-P-C4' energy: -105.835 flat angles P-C4'-P energy: -109.860 tors. eta vs tors. theta energy: -72.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -612.488709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.488709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.488709 (E_RNA) where: Base-Base interactions energy: -33.484 where: short stacking energy: -33.484 Base-Backbone interact. energy: -0.000 local terms energy: -579.004535 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -125.511 tors. eta vs tors. theta energy: -67.390 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -613.123105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.123105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.123105 (E_RNA) where: Base-Base interactions energy: -34.118 where: short stacking energy: -34.118 Base-Backbone interact. energy: -0.000 local terms energy: -579.004535 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -125.511 tors. eta vs tors. theta energy: -67.390 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -613.031888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.031888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.031888 (E_RNA) where: Base-Base interactions energy: -34.119 where: short stacking energy: -34.119 Base-Backbone interact. energy: -0.000 local terms energy: -578.912945 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -109.199 flat angles P-C4'-P energy: -125.511 tors. eta vs tors. theta energy: -67.215 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -961.890856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.890856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.890856 (E_RNA) where: Base-Base interactions energy: -498.984 where: short stacking energy: -498.984 Base-Backbone interact. energy: -0.164 local terms energy: -462.742915 where: bonds (distance) C4'-P energy: -80.217 bonds (distance) P-C4' energy: -98.900 flat angles C4'-P-C4' energy: -102.787 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -119.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -932.470617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.470617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.470617 (E_RNA) where: Base-Base interactions energy: -489.372 where: short stacking energy: -461.443 Base-Backbone interact. energy: 0.485 local terms energy: -443.584396 where: bonds (distance) C4'-P energy: -90.964 bonds (distance) P-C4' energy: -83.323 flat angles C4'-P-C4' energy: -94.001 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: -107.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -851.203234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.203234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.203234 (E_RNA) where: Base-Base interactions energy: -448.833 where: short stacking energy: -404.498 Base-Backbone interact. energy: 2.360 local terms energy: -404.729422 where: bonds (distance) C4'-P energy: -81.413 bonds (distance) P-C4' energy: -97.893 flat angles C4'-P-C4' energy: -92.564 flat angles P-C4'-P energy: -54.851 tors. eta vs tors. theta energy: -78.008 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -842.475908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.475908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.475908 (E_RNA) where: Base-Base interactions energy: -470.833 where: short stacking energy: -349.787 Base-Backbone interact. energy: 0.609 local terms energy: -372.251754 where: bonds (distance) C4'-P energy: -98.313 bonds (distance) P-C4' energy: -84.866 flat angles C4'-P-C4' energy: -78.552 flat angles P-C4'-P energy: -56.572 tors. eta vs tors. theta energy: -53.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -763.831190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.831190 (E_RNA) where: Base-Base interactions energy: -376.940 where: short stacking energy: -318.696 Base-Backbone interact. energy: -1.070 local terms energy: -385.821556 where: bonds (distance) C4'-P energy: -95.916 bonds (distance) P-C4' energy: -90.451 flat angles C4'-P-C4' energy: -80.942 flat angles P-C4'-P energy: -54.822 tors. eta vs tors. theta energy: -63.691 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -698.350151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.350151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.350151 (E_RNA) where: Base-Base interactions energy: -384.129 where: short stacking energy: -253.163 Base-Backbone interact. energy: 1.015 local terms energy: -315.236276 where: bonds (distance) C4'-P energy: -72.481 bonds (distance) P-C4' energy: -72.457 flat angles C4'-P-C4' energy: -86.795 flat angles P-C4'-P energy: -46.090 tors. eta vs tors. theta energy: -37.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -594.171210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.171210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.171210 (E_RNA) where: Base-Base interactions energy: -254.223 where: short stacking energy: -241.512 Base-Backbone interact. energy: 4.596 local terms energy: -344.543923 where: bonds (distance) C4'-P energy: -99.068 bonds (distance) P-C4' energy: -96.043 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -25.236 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -588.744737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.744737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.744737 (E_RNA) where: Base-Base interactions energy: -282.683 where: short stacking energy: -212.804 Base-Backbone interact. energy: 0.502 local terms energy: -306.563054 where: bonds (distance) C4'-P energy: -60.792 bonds (distance) P-C4' energy: -78.603 flat angles C4'-P-C4' energy: -78.172 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -31.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -535.872447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.872447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.872447 (E_RNA) where: Base-Base interactions energy: -264.100 where: short stacking energy: -197.506 Base-Backbone interact. energy: 1.029 local terms energy: -272.801500 where: bonds (distance) C4'-P energy: -72.702 bonds (distance) P-C4' energy: -79.838 flat angles C4'-P-C4' energy: -65.890 flat angles P-C4'-P energy: -41.285 tors. eta vs tors. theta energy: -13.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -480.654891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.654891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.654891 (E_RNA) where: Base-Base interactions energy: -218.989 where: short stacking energy: -197.945 Base-Backbone interact. energy: -2.473 local terms energy: -259.192553 where: bonds (distance) C4'-P energy: -81.376 bonds (distance) P-C4' energy: -77.961 flat angles C4'-P-C4' energy: -54.354 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -991.259709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.259709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.259709 (E_RNA) where: Base-Base interactions energy: -504.173 where: short stacking energy: -500.622 Base-Backbone interact. energy: -0.363 local terms energy: -486.724432 where: bonds (distance) C4'-P energy: -98.437 bonds (distance) P-C4' energy: -95.452 flat angles C4'-P-C4' energy: -111.246 flat angles P-C4'-P energy: -55.392 tors. eta vs tors. theta energy: -126.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -954.190378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.190378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.190378 (E_RNA) where: Base-Base interactions energy: -520.015 where: short stacking energy: -454.631 Base-Backbone interact. energy: -0.375 local terms energy: -433.800268 where: bonds (distance) C4'-P energy: -91.490 bonds (distance) P-C4' energy: -98.844 flat angles C4'-P-C4' energy: -96.813 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -91.283 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -941.120097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.120097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.120097 (E_RNA) where: Base-Base interactions energy: -530.369 where: short stacking energy: -409.052 Base-Backbone interact. energy: -0.662 local terms energy: -410.089112 where: bonds (distance) C4'-P energy: -89.390 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -104.534 flat angles P-C4'-P energy: -50.376 tors. eta vs tors. theta energy: -86.068 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: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -923.425514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.425514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.425514 (E_RNA) where: Base-Base interactions energy: -538.160 where: short stacking energy: -394.276 Base-Backbone interact. energy: -0.663 local terms energy: -384.601880 where: bonds (distance) C4'-P energy: -82.137 bonds (distance) P-C4' energy: -78.805 flat angles C4'-P-C4' energy: -83.009 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -84.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -837.231503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.231503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.231503 (E_RNA) where: Base-Base interactions energy: -468.950 where: short stacking energy: -303.490 Base-Backbone interact. energy: 2.686 local terms energy: -370.967972 where: bonds (distance) C4'-P energy: -83.024 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -85.183 flat angles P-C4'-P energy: -59.325 tors. eta vs tors. theta energy: -56.778 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -752.289585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.289585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.289585 (E_RNA) where: Base-Base interactions energy: -399.675 where: short stacking energy: -293.885 Base-Backbone interact. energy: -3.395 local terms energy: -349.219031 where: bonds (distance) C4'-P energy: -77.944 bonds (distance) P-C4' energy: -76.575 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -57.050 tors. eta vs tors. theta energy: -50.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -763.606235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.606235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.606235 (E_RNA) where: Base-Base interactions energy: -414.397 where: short stacking energy: -293.351 Base-Backbone interact. energy: 0.616 local terms energy: -349.825209 where: bonds (distance) C4'-P energy: -86.179 bonds (distance) P-C4' energy: -88.171 flat angles C4'-P-C4' energy: -76.185 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: -51.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -630.063073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.063073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.063073 (E_RNA) where: Base-Base interactions energy: -343.981 where: short stacking energy: -208.279 Base-Backbone interact. energy: -1.630 local terms energy: -284.452266 where: bonds (distance) C4'-P energy: -72.164 bonds (distance) P-C4' energy: -82.127 flat angles C4'-P-C4' energy: -72.658 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: -10.993 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -536.284939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.284939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.284939 (E_RNA) where: Base-Base interactions energy: -261.000 where: short stacking energy: -203.981 Base-Backbone interact. energy: 2.023 local terms energy: -277.308175 where: bonds (distance) C4'-P energy: -71.738 bonds (distance) P-C4' energy: -81.963 flat angles C4'-P-C4' energy: -78.074 flat angles P-C4'-P energy: -43.796 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: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -507.913993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.913993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.913993 (E_RNA) where: Base-Base interactions energy: -243.388 where: short stacking energy: -176.273 Base-Backbone interact. energy: -0.033 local terms energy: -264.493730 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -70.924 flat angles C4'-P-C4' energy: -75.369 flat angles P-C4'-P energy: -46.767 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -993.481862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.481862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.481862 (E_RNA) where: Base-Base interactions energy: -510.802 where: short stacking energy: -478.158 Base-Backbone interact. energy: 0.445 local terms energy: -483.125081 where: bonds (distance) C4'-P energy: -100.226 bonds (distance) P-C4' energy: -101.621 flat angles C4'-P-C4' energy: -104.839 flat angles P-C4'-P energy: -64.533 tors. eta vs tors. theta energy: -111.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -944.742774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.742774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.742774 (E_RNA) where: Base-Base interactions energy: -474.390 where: short stacking energy: -439.465 Base-Backbone interact. energy: -1.409 local terms energy: -468.943333 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -98.505 flat angles C4'-P-C4' energy: -102.843 flat angles P-C4'-P energy: -63.000 tors. eta vs tors. theta energy: -110.480 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -968.875300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.875300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.875300 (E_RNA) where: Base-Base interactions energy: -546.257 where: short stacking energy: -383.580 Base-Backbone interact. energy: 1.063 local terms energy: -423.681188 where: bonds (distance) C4'-P energy: -84.411 bonds (distance) P-C4' energy: -98.927 flat angles C4'-P-C4' energy: -102.817 flat angles P-C4'-P energy: -61.049 tors. eta vs tors. theta energy: -76.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -925.250149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.250149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.250149 (E_RNA) where: Base-Base interactions energy: -503.548 where: short stacking energy: -360.402 Base-Backbone interact. energy: 1.658 local terms energy: -423.360308 where: bonds (distance) C4'-P energy: -92.146 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -99.623 flat angles P-C4'-P energy: -54.684 tors. eta vs tors. theta energy: -87.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -956.821604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.821604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.821604 (E_RNA) where: Base-Base interactions energy: -574.888 where: short stacking energy: -344.624 Base-Backbone interact. energy: 0.085 local terms energy: -382.018188 where: bonds (distance) C4'-P energy: -84.548 bonds (distance) P-C4' energy: -74.462 flat angles C4'-P-C4' energy: -91.816 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -75.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -832.112609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.112609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.112609 (E_RNA) where: Base-Base interactions energy: -462.515 where: short stacking energy: -319.855 Base-Backbone interact. energy: -2.960 local terms energy: -366.637479 where: bonds (distance) C4'-P energy: -86.055 bonds (distance) P-C4' energy: -85.829 flat angles C4'-P-C4' energy: -75.364 flat angles P-C4'-P energy: -66.041 tors. eta vs tors. theta energy: -53.349 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: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -769.419759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.419759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.419759 (E_RNA) where: Base-Base interactions energy: -438.881 where: short stacking energy: -279.398 Base-Backbone interact. energy: -1.741 local terms energy: -328.798439 where: bonds (distance) C4'-P energy: -77.338 bonds (distance) P-C4' energy: -77.712 flat angles C4'-P-C4' energy: -91.904 flat angles P-C4'-P energy: -40.636 tors. eta vs tors. theta energy: -41.208 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -605.123232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.123232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.123232 (E_RNA) where: Base-Base interactions energy: -311.908 where: short stacking energy: -184.840 Base-Backbone interact. energy: -1.875 local terms energy: -291.340348 where: bonds (distance) C4'-P energy: -88.659 bonds (distance) P-C4' energy: -85.108 flat angles C4'-P-C4' energy: -61.316 flat angles P-C4'-P energy: -42.070 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -648.865944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.865944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.865944 (E_RNA) where: Base-Base interactions energy: -383.014 where: short stacking energy: -232.402 Base-Backbone interact. energy: 0.798 local terms energy: -266.649590 where: bonds (distance) C4'-P energy: -75.596 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -49.821 flat angles P-C4'-P energy: -29.689 tors. eta vs tors. theta energy: -23.715 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -515.943318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.943318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.943318 (E_RNA) where: Base-Base interactions energy: -291.786 where: short stacking energy: -174.652 Base-Backbone interact. energy: -1.518 local terms energy: -222.639660 where: bonds (distance) C4'-P energy: -62.005 bonds (distance) P-C4' energy: -65.756 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -31.933 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1035.745013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.745013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.745013 (E_RNA) where: Base-Base interactions energy: -553.645 where: short stacking energy: -501.056 Base-Backbone interact. energy: 1.253 local terms energy: -483.353448 where: bonds (distance) C4'-P energy: -93.560 bonds (distance) P-C4' energy: -95.473 flat angles C4'-P-C4' energy: -109.512 flat angles P-C4'-P energy: -64.935 tors. eta vs tors. theta energy: -119.873 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1019.838601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.838601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.838601 (E_RNA) where: Base-Base interactions energy: -571.787 where: short stacking energy: -455.379 Base-Backbone interact. energy: 0.726 local terms energy: -448.777624 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -89.997 flat angles C4'-P-C4' energy: -102.182 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -99.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1097.498102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.498102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.498102 (E_RNA) where: Base-Base interactions energy: -644.994 where: short stacking energy: -419.363 Base-Backbone interact. energy: -2.018 local terms energy: -450.486193 where: bonds (distance) C4'-P energy: -93.122 bonds (distance) P-C4' energy: -84.099 flat angles C4'-P-C4' energy: -109.249 flat angles P-C4'-P energy: -73.677 tors. eta vs tors. theta energy: -90.340 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: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -837.651780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.651780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.651780 (E_RNA) where: Base-Base interactions energy: -478.766 where: short stacking energy: -339.019 Base-Backbone interact. energy: 5.145 local terms energy: -364.030764 where: bonds (distance) C4'-P energy: -74.935 bonds (distance) P-C4' energy: -75.907 flat angles C4'-P-C4' energy: -94.580 flat angles P-C4'-P energy: -58.921 tors. eta vs tors. theta energy: -59.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1078.764834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.764834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.764834 (E_RNA) where: Base-Base interactions energy: -684.984 where: short stacking energy: -361.387 Base-Backbone interact. energy: -2.088 local terms energy: -391.693160 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -97.839 flat angles P-C4'-P energy: -59.165 tors. eta vs tors. theta energy: -70.622 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: 6, replica: 8 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -959.011510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.011510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.011510 (E_RNA) where: Base-Base interactions energy: -582.805 where: short stacking energy: -339.086 Base-Backbone interact. energy: -1.026 local terms energy: -375.180419 where: bonds (distance) C4'-P energy: -84.082 bonds (distance) P-C4' energy: -92.070 flat angles C4'-P-C4' energy: -87.053 flat angles P-C4'-P energy: -48.622 tors. eta vs tors. theta energy: -63.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -808.821567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.821567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.821567 (E_RNA) where: Base-Base interactions energy: -491.516 where: short stacking energy: -309.466 Base-Backbone interact. energy: -1.563 local terms energy: -315.742156 where: bonds (distance) C4'-P energy: -69.666 bonds (distance) P-C4' energy: -69.725 flat angles C4'-P-C4' energy: -77.530 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -48.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -794.987950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.987950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.987950 (E_RNA) where: Base-Base interactions energy: -484.856 where: short stacking energy: -270.436 Base-Backbone interact. energy: 0.288 local terms energy: -310.419805 where: bonds (distance) C4'-P energy: -78.606 bonds (distance) P-C4' energy: -78.860 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -39.398 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: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -798.324733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.324733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.324733 (E_RNA) where: Base-Base interactions energy: -491.716 where: short stacking energy: -256.886 Base-Backbone interact. energy: -2.930 local terms energy: -303.678794 where: bonds (distance) C4'-P energy: -69.168 bonds (distance) P-C4' energy: -76.127 flat angles C4'-P-C4' energy: -83.520 flat angles P-C4'-P energy: -53.314 tors. eta vs tors. theta energy: -21.551 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -591.884557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.884557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.884557 (E_RNA) where: Base-Base interactions energy: -355.962 where: short stacking energy: -208.735 Base-Backbone interact. energy: 1.996 local terms energy: -237.918399 where: bonds (distance) C4'-P energy: -51.990 bonds (distance) P-C4' energy: -72.584 flat angles C4'-P-C4' energy: -72.588 flat angles P-C4'-P energy: -34.315 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1063.377043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.377043 (E_RNA) where: Base-Base interactions energy: -586.406 where: short stacking energy: -499.316 Base-Backbone interact. energy: -1.024 local terms energy: -475.946956 where: bonds (distance) C4'-P energy: -79.822 bonds (distance) P-C4' energy: -100.061 flat angles C4'-P-C4' energy: -106.306 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -120.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1209.969615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.969615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.969615 (E_RNA) where: Base-Base interactions energy: -746.722 where: short stacking energy: -464.012 Base-Backbone interact. energy: -3.820 local terms energy: -459.427484 where: bonds (distance) C4'-P energy: -91.814 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -96.873 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -115.026 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1005.392378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.392378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.392378 (E_RNA) where: Base-Base interactions energy: -581.447 where: short stacking energy: -391.644 Base-Backbone interact. energy: 0.065 local terms energy: -424.010406 where: bonds (distance) C4'-P energy: -98.926 bonds (distance) P-C4' energy: -88.825 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -76.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1222.239438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.239438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.239438 (E_RNA) where: Base-Base interactions energy: -793.419 where: short stacking energy: -435.431 Base-Backbone interact. energy: -1.162 local terms energy: -427.658377 where: bonds (distance) C4'-P energy: -82.669 bonds (distance) P-C4' energy: -101.886 flat angles C4'-P-C4' energy: -96.109 flat angles P-C4'-P energy: -53.293 tors. eta vs tors. theta energy: -93.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -823.789037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.789037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.789037 (E_RNA) where: Base-Base interactions energy: -456.606 where: short stacking energy: -323.017 Base-Backbone interact. energy: 2.741 local terms energy: -369.923356 where: bonds (distance) C4'-P energy: -80.824 bonds (distance) P-C4' energy: -104.390 flat angles C4'-P-C4' energy: -81.695 flat angles P-C4'-P energy: -53.088 tors. eta vs tors. theta energy: -49.926 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: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1097.301811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.301811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.301811 (E_RNA) where: Base-Base interactions energy: -703.503 where: short stacking energy: -346.929 Base-Backbone interact. energy: 0.093 local terms energy: -393.892506 where: bonds (distance) C4'-P energy: -91.399 bonds (distance) P-C4' energy: -88.074 flat angles C4'-P-C4' energy: -95.088 flat angles P-C4'-P energy: -54.639 tors. eta vs tors. theta energy: -64.692 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -876.365821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.365821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.365821 (E_RNA) where: Base-Base interactions energy: -552.575 where: short stacking energy: -306.966 Base-Backbone interact. energy: 0.869 local terms energy: -324.659918 where: bonds (distance) C4'-P energy: -73.792 bonds (distance) P-C4' energy: -77.657 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -48.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -954.372804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.372804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.372804 (E_RNA) where: Base-Base interactions energy: -604.911 where: short stacking energy: -322.151 Base-Backbone interact. energy: -2.803 local terms energy: -346.659443 where: bonds (distance) C4'-P energy: -74.202 bonds (distance) P-C4' energy: -92.191 flat angles C4'-P-C4' energy: -73.766 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: -55.335 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -685.214004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.214004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.214004 (E_RNA) where: Base-Base interactions energy: -396.616 where: short stacking energy: -219.830 Base-Backbone interact. energy: -1.323 local terms energy: -287.275157 where: bonds (distance) C4'-P energy: -73.206 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -59.068 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -18.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -657.298565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.298565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.298565 (E_RNA) where: Base-Base interactions energy: -371.346 where: short stacking energy: -222.093 Base-Backbone interact. energy: 1.185 local terms energy: -287.137689 where: bonds (distance) C4'-P energy: -84.093 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -34.040 tors. eta vs tors. theta energy: -30.797 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: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1323.773000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.773000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.773000 (E_RNA) where: Base-Base interactions energy: -827.681 where: short stacking energy: -494.956 Base-Backbone interact. energy: -2.095 local terms energy: -493.997623 where: bonds (distance) C4'-P energy: -108.795 bonds (distance) P-C4' energy: -97.834 flat angles C4'-P-C4' energy: -104.463 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -119.904 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1062.871192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.871192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.871192 (E_RNA) where: Base-Base interactions energy: -593.408 where: short stacking energy: -511.226 Base-Backbone interact. energy: -0.298 local terms energy: -469.165489 where: bonds (distance) C4'-P energy: -87.815 bonds (distance) P-C4' energy: -100.162 flat angles C4'-P-C4' energy: -86.992 flat angles P-C4'-P energy: -64.512 tors. eta vs tors. theta energy: -129.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1286.429644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.429644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.429644 (E_RNA) where: Base-Base interactions energy: -848.273 where: short stacking energy: -426.892 Base-Backbone interact. energy: -3.835 local terms energy: -434.321481 where: bonds (distance) C4'-P energy: -89.886 bonds (distance) P-C4' energy: -93.824 flat angles C4'-P-C4' energy: -100.908 flat angles P-C4'-P energy: -61.463 tors. eta vs tors. theta energy: -88.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -957.561494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.561494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.561494 (E_RNA) where: Base-Base interactions energy: -577.181 where: short stacking energy: -348.990 Base-Backbone interact. energy: -1.961 local terms energy: -378.419742 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -78.651 flat angles C4'-P-C4' energy: -92.306 flat angles P-C4'-P energy: -58.769 tors. eta vs tors. theta energy: -65.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1227.826241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.826241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.826241 (E_RNA) where: Base-Base interactions energy: -842.797 where: short stacking energy: -406.214 Base-Backbone interact. energy: 0.713 local terms energy: -385.742495 where: bonds (distance) C4'-P energy: -74.442 bonds (distance) P-C4' energy: -79.451 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -82.427 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: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -797.467893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.467893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.467893 (E_RNA) where: Base-Base interactions energy: -449.581 where: short stacking energy: -314.898 Base-Backbone interact. energy: -2.091 local terms energy: -345.795937 where: bonds (distance) C4'-P energy: -93.293 bonds (distance) P-C4' energy: -86.196 flat angles C4'-P-C4' energy: -81.629 flat angles P-C4'-P energy: -34.046 tors. eta vs tors. theta energy: -50.632 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: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1032.361194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.361194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.361194 (E_RNA) where: Base-Base interactions energy: -680.824 where: short stacking energy: -357.565 Base-Backbone interact. energy: -0.206 local terms energy: -351.331619 where: bonds (distance) C4'-P energy: -85.114 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -81.917 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -55.195 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: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -914.192163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.192163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.192163 (E_RNA) where: Base-Base interactions energy: -585.196 where: short stacking energy: -317.473 Base-Backbone interact. energy: -3.590 local terms energy: -325.406776 where: bonds (distance) C4'-P energy: -74.248 bonds (distance) P-C4' energy: -62.644 flat angles C4'-P-C4' energy: -86.382 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -54.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -726.548379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.548379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.548379 (E_RNA) where: Base-Base interactions energy: -401.126 where: short stacking energy: -262.632 Base-Backbone interact. energy: -0.110 local terms energy: -325.312431 where: bonds (distance) C4'-P energy: -79.599 bonds (distance) P-C4' energy: -92.301 flat angles C4'-P-C4' energy: -77.000 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -32.257 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -614.844240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.844240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.844240 (E_RNA) where: Base-Base interactions energy: -330.819 where: short stacking energy: -206.979 Base-Backbone interact. energy: 0.449 local terms energy: -284.474410 where: bonds (distance) C4'-P energy: -74.339 bonds (distance) P-C4' energy: -62.037 flat angles C4'-P-C4' energy: -77.644 flat angles P-C4'-P energy: -51.584 tors. eta vs tors. theta energy: -18.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1316.501963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.501963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.501963 (E_RNA) where: Base-Base interactions energy: -815.418 where: short stacking energy: -509.812 Base-Backbone interact. energy: -2.597 local terms energy: -498.486403 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -95.895 flat angles C4'-P-C4' energy: -106.963 flat angles P-C4'-P energy: -71.770 tors. eta vs tors. theta energy: -125.567 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: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1392.059005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.059005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.059005 (E_RNA) where: Base-Base interactions energy: -948.045 where: short stacking energy: -455.162 Base-Backbone interact. energy: -3.943 local terms energy: -440.071158 where: bonds (distance) C4'-P energy: -91.098 bonds (distance) P-C4' energy: -92.660 flat angles C4'-P-C4' energy: -91.084 flat angles P-C4'-P energy: -61.897 tors. eta vs tors. theta energy: -103.332 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: 9 Temperature: 1.000000 Total energy: -1011.286862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.286862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.286862 (E_RNA) where: Base-Base interactions energy: -559.229 where: short stacking energy: -421.735 Base-Backbone interact. energy: -0.607 local terms energy: -451.450577 where: bonds (distance) C4'-P energy: -84.868 bonds (distance) P-C4' energy: -97.163 flat angles C4'-P-C4' energy: -97.895 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: -103.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1290.535559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.535559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.535559 (E_RNA) where: Base-Base interactions energy: -875.086 where: short stacking energy: -411.449 Base-Backbone interact. energy: -0.655 local terms energy: -414.794110 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -84.053 flat angles C4'-P-C4' energy: -100.542 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: -91.105 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: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -906.255543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.255543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.255543 (E_RNA) where: Base-Base interactions energy: -505.696 where: short stacking energy: -330.827 Base-Backbone interact. energy: -0.968 local terms energy: -399.591753 where: bonds (distance) C4'-P energy: -90.464 bonds (distance) P-C4' energy: -89.434 flat angles C4'-P-C4' energy: -94.271 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -62.827 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: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1072.595330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.595330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.595330 (E_RNA) where: Base-Base interactions energy: -696.012 where: short stacking energy: -350.840 Base-Backbone interact. energy: -1.421 local terms energy: -375.162318 where: bonds (distance) C4'-P energy: -80.614 bonds (distance) P-C4' energy: -82.950 flat angles C4'-P-C4' energy: -71.624 flat angles P-C4'-P energy: -63.748 tors. eta vs tors. theta energy: -76.227 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: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -792.282961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.282961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.282961 (E_RNA) where: Base-Base interactions energy: -446.631 where: short stacking energy: -261.005 Base-Backbone interact. energy: 3.552 local terms energy: -349.204080 where: bonds (distance) C4'-P energy: -76.578 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -78.336 flat angles P-C4'-P energy: -67.231 tors. eta vs tors. theta energy: -42.747 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: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1041.191138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.191138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.191138 (E_RNA) where: Base-Base interactions energy: -709.121 where: short stacking energy: -325.802 Base-Backbone interact. energy: 2.193 local terms energy: -334.262566 where: bonds (distance) C4'-P energy: -63.592 bonds (distance) P-C4' energy: -71.343 flat angles C4'-P-C4' energy: -94.910 flat angles P-C4'-P energy: -50.240 tors. eta vs tors. theta energy: -54.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -721.473447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.473447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.473447 (E_RNA) where: Base-Base interactions energy: -421.085 where: short stacking energy: -239.041 Base-Backbone interact. energy: 0.272 local terms energy: -300.660155 where: bonds (distance) C4'-P energy: -69.579 bonds (distance) P-C4' energy: -67.103 flat angles C4'-P-C4' energy: -80.515 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -27.533 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -547.715242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.715242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.715242 (E_RNA) where: Base-Base interactions energy: -284.354 where: short stacking energy: -187.220 Base-Backbone interact. energy: 1.800 local terms energy: -265.160421 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -87.624 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -40.837 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1507.317139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.317139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.317139 (E_RNA) where: Base-Base interactions energy: -1042.089 where: short stacking energy: -513.017 Base-Backbone interact. energy: -1.859 local terms energy: -463.368600 where: bonds (distance) C4'-P energy: -94.746 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -94.122 flat angles P-C4'-P energy: -66.647 tors. eta vs tors. theta energy: -123.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1295.233889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.233889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.233889 (E_RNA) where: Base-Base interactions energy: -808.710 where: short stacking energy: -478.303 Base-Backbone interact. energy: -4.236 local terms energy: -482.287781 where: bonds (distance) C4'-P energy: -98.667 bonds (distance) P-C4' energy: -102.796 flat angles C4'-P-C4' energy: -99.908 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -110.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1376.131028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.131028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.131028 (E_RNA) where: Base-Base interactions energy: -921.466 where: short stacking energy: -462.376 Base-Backbone interact. energy: 2.566 local terms energy: -457.231040 where: bonds (distance) C4'-P energy: -92.472 bonds (distance) P-C4' energy: -86.436 flat angles C4'-P-C4' energy: -102.434 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: -106.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -883.146085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.146085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.146085 (E_RNA) where: Base-Base interactions energy: -493.253 where: short stacking energy: -347.423 Base-Backbone interact. energy: -0.577 local terms energy: -389.315735 where: bonds (distance) C4'-P energy: -76.746 bonds (distance) P-C4' energy: -92.338 flat angles C4'-P-C4' energy: -93.920 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -71.841 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1117.662735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.662735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.662735 (E_RNA) where: Base-Base interactions energy: -749.729 where: short stacking energy: -385.504 Base-Backbone interact. energy: 2.391 local terms energy: -370.324467 where: bonds (distance) C4'-P energy: -82.127 bonds (distance) P-C4' energy: -85.270 flat angles C4'-P-C4' energy: -78.436 flat angles P-C4'-P energy: -38.418 tors. eta vs tors. theta energy: -86.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -933.792994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.792994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.792994 (E_RNA) where: Base-Base interactions energy: -587.111 where: short stacking energy: -353.718 Base-Backbone interact. energy: -1.410 local terms energy: -345.272414 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -73.956 flat angles C4'-P-C4' energy: -85.041 flat angles P-C4'-P energy: -52.279 tors. eta vs tors. theta energy: -60.687 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: 10 Temperature: 1.200000 Total energy: -1162.874607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.874607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.874607 (E_RNA) where: Base-Base interactions energy: -780.135 where: short stacking energy: -366.441 Base-Backbone interact. energy: -1.108 local terms energy: -381.631545 where: bonds (distance) C4'-P energy: -74.503 bonds (distance) P-C4' energy: -87.170 flat angles C4'-P-C4' energy: -91.337 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -81.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -752.274963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.274963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.274963 (E_RNA) where: Base-Base interactions energy: -447.266 where: short stacking energy: -262.541 Base-Backbone interact. energy: 0.202 local terms energy: -305.210761 where: bonds (distance) C4'-P energy: -64.469 bonds (distance) P-C4' energy: -85.251 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -31.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -684.051105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.051105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.051105 (E_RNA) where: Base-Base interactions energy: -406.479 where: short stacking energy: -239.621 Base-Backbone interact. energy: -3.246 local terms energy: -274.326567 where: bonds (distance) C4'-P energy: -72.235 bonds (distance) P-C4' energy: -57.166 flat angles C4'-P-C4' energy: -80.689 flat angles P-C4'-P energy: -40.875 tors. eta vs tors. theta energy: -23.361 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -638.007532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.007532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.007532 (E_RNA) where: Base-Base interactions energy: -347.197 where: short stacking energy: -197.807 Base-Backbone interact. energy: -2.145 local terms energy: -288.665080 where: bonds (distance) C4'-P energy: -86.046 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -81.924 flat angles P-C4'-P energy: -25.366 tors. eta vs tors. theta energy: -23.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1484.462074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.462074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.462074 (E_RNA) where: Base-Base interactions energy: -1020.850 where: short stacking energy: -493.539 Base-Backbone interact. energy: -2.761 local terms energy: -460.850445 where: bonds (distance) C4'-P energy: -100.514 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -67.180 tors. eta vs tors. theta energy: -106.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1427.331756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.331756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.331756 (E_RNA) where: Base-Base interactions energy: -976.326 where: short stacking energy: -484.915 Base-Backbone interact. energy: -0.828 local terms energy: -450.176967 where: bonds (distance) C4'-P energy: -78.185 bonds (distance) P-C4' energy: -99.076 flat angles C4'-P-C4' energy: -93.224 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -100.512 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: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1253.892141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.892141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.892141 (E_RNA) where: Base-Base interactions energy: -800.737 where: short stacking energy: -443.434 Base-Backbone interact. energy: -3.097 local terms energy: -450.058209 where: bonds (distance) C4'-P energy: -87.881 bonds (distance) P-C4' energy: -92.862 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -103.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1235.154378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.154378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.154378 (E_RNA) where: Base-Base interactions energy: -805.415 where: short stacking energy: -421.592 Base-Backbone interact. energy: -1.130 local terms energy: -428.608923 where: bonds (distance) C4'-P energy: -90.053 bonds (distance) P-C4' energy: -90.275 flat angles C4'-P-C4' energy: -101.266 flat angles P-C4'-P energy: -57.711 tors. eta vs tors. theta energy: -89.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -893.629977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.629977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.629977 (E_RNA) where: Base-Base interactions energy: -511.168 where: short stacking energy: -319.496 Base-Backbone interact. energy: -0.552 local terms energy: -381.909680 where: bonds (distance) C4'-P energy: -83.854 bonds (distance) P-C4' energy: -85.168 flat angles C4'-P-C4' energy: -100.388 flat angles P-C4'-P energy: -62.340 tors. eta vs tors. theta energy: -50.160 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1211.478079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.478079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.478079 (E_RNA) where: Base-Base interactions energy: -799.524 where: short stacking energy: -400.804 Base-Backbone interact. energy: 0.400 local terms energy: -412.353979 where: bonds (distance) C4'-P energy: -92.733 bonds (distance) P-C4' energy: -95.661 flat angles C4'-P-C4' energy: -80.942 flat angles P-C4'-P energy: -57.172 tors. eta vs tors. theta energy: -85.846 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: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -812.221230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.221230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.221230 (E_RNA) where: Base-Base interactions energy: -513.920 where: short stacking energy: -320.585 Base-Backbone interact. energy: -2.238 local terms energy: -296.063979 where: bonds (distance) C4'-P energy: -76.530 bonds (distance) P-C4' energy: -68.708 flat angles C4'-P-C4' energy: -75.919 flat angles P-C4'-P energy: -26.816 tors. eta vs tors. theta energy: -48.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -769.950538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.950538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.950538 (E_RNA) where: Base-Base interactions energy: -463.926 where: short stacking energy: -267.871 Base-Backbone interact. energy: 0.057 local terms energy: -306.081286 where: bonds (distance) C4'-P energy: -76.429 bonds (distance) P-C4' energy: -79.366 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -40.060 tors. eta vs tors. theta energy: -39.990 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -752.065198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.065198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.065198 (E_RNA) where: Base-Base interactions energy: -446.536 where: short stacking energy: -241.965 Base-Backbone interact. energy: -2.059 local terms energy: -303.470049 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -90.942 flat angles C4'-P-C4' energy: -73.244 flat angles P-C4'-P energy: -29.380 tors. eta vs tors. theta energy: -31.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -647.545427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.545427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.545427 (E_RNA) where: Base-Base interactions energy: -350.178 where: short stacking energy: -223.201 Base-Backbone interact. energy: -0.940 local terms energy: -296.427984 where: bonds (distance) C4'-P energy: -71.811 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -78.531 flat angles P-C4'-P energy: -26.700 tors. eta vs tors. theta energy: -29.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1508.635814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.635814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.635814 (E_RNA) where: Base-Base interactions energy: -1026.013 where: short stacking energy: -507.693 Base-Backbone interact. energy: 0.017 local terms energy: -482.640109 where: bonds (distance) C4'-P energy: -91.764 bonds (distance) P-C4' energy: -104.840 flat angles C4'-P-C4' energy: -106.676 flat angles P-C4'-P energy: -68.567 tors. eta vs tors. theta energy: -110.794 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: 2, replica: 8 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1421.491946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.491946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.491946 (E_RNA) where: Base-Base interactions energy: -976.288 where: short stacking energy: -487.125 Base-Backbone interact. energy: -0.242 local terms energy: -444.962241 where: bonds (distance) C4'-P energy: -80.676 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -102.132 flat angles P-C4'-P energy: -54.466 tors. eta vs tors. theta energy: -112.464 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: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1311.253934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.253934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.253934 (E_RNA) where: Base-Base interactions energy: -864.660 where: short stacking energy: -445.634 Base-Backbone interact. energy: -1.387 local terms energy: -445.206796 where: bonds (distance) C4'-P energy: -93.000 bonds (distance) P-C4' energy: -85.970 flat angles C4'-P-C4' energy: -99.895 flat angles P-C4'-P energy: -71.503 tors. eta vs tors. theta energy: -94.839 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: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1180.253181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.253181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.253181 (E_RNA) where: Base-Base interactions energy: -756.799 where: short stacking energy: -427.118 Base-Backbone interact. energy: -2.911 local terms energy: -420.543208 where: bonds (distance) C4'-P energy: -72.367 bonds (distance) P-C4' energy: -91.045 flat angles C4'-P-C4' energy: -101.676 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -106.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1290.165947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.165947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.165947 (E_RNA) where: Base-Base interactions energy: -880.005 where: short stacking energy: -449.748 Base-Backbone interact. energy: 3.339 local terms energy: -413.500221 where: bonds (distance) C4'-P energy: -79.886 bonds (distance) P-C4' energy: -94.032 flat angles C4'-P-C4' energy: -92.903 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -96.686 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: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -944.949582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.949582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.949582 (E_RNA) where: Base-Base interactions energy: -589.115 where: short stacking energy: -372.239 Base-Backbone interact. energy: -0.539 local terms energy: -355.295807 where: bonds (distance) C4'-P energy: -70.884 bonds (distance) P-C4' energy: -92.771 flat angles C4'-P-C4' energy: -81.489 flat angles P-C4'-P energy: -40.526 tors. eta vs tors. theta energy: -69.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -933.002161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.002161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.002161 (E_RNA) where: Base-Base interactions energy: -587.601 where: short stacking energy: -327.006 Base-Backbone interact. energy: 0.528 local terms energy: -345.928535 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -75.750 flat angles C4'-P-C4' energy: -75.081 flat angles P-C4'-P energy: -58.176 tors. eta vs tors. theta energy: -59.089 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: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -757.535260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.535260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.535260 (E_RNA) where: Base-Base interactions energy: -429.167 where: short stacking energy: -266.899 Base-Backbone interact. energy: -0.500 local terms energy: -327.868515 where: bonds (distance) C4'-P energy: -75.829 bonds (distance) P-C4' energy: -90.121 flat angles C4'-P-C4' energy: -83.895 flat angles P-C4'-P energy: -36.960 tors. eta vs tors. theta energy: -41.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -845.806546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.806546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.806546 (E_RNA) where: Base-Base interactions energy: -525.382 where: short stacking energy: -286.217 Base-Backbone interact. energy: 2.462 local terms energy: -322.886757 where: bonds (distance) C4'-P energy: -75.958 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -77.840 flat angles P-C4'-P energy: -44.001 tors. eta vs tors. theta energy: -51.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -589.080693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.080693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.080693 (E_RNA) where: Base-Base interactions energy: -326.094 where: short stacking energy: -221.793 Base-Backbone interact. energy: 5.920 local terms energy: -268.906742 where: bonds (distance) C4'-P energy: -72.607 bonds (distance) P-C4' energy: -80.696 flat angles C4'-P-C4' energy: -82.864 flat angles P-C4'-P energy: -31.531 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1523.873024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.873024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.873024 (E_RNA) where: Base-Base interactions energy: -1030.301 where: short stacking energy: -521.948 Base-Backbone interact. energy: 2.492 local terms energy: -496.063500 where: bonds (distance) C4'-P energy: -94.177 bonds (distance) P-C4' energy: -94.666 flat angles C4'-P-C4' energy: -106.811 flat angles P-C4'-P energy: -80.631 tors. eta vs tors. theta energy: -119.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1498.502021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.502021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.502021 (E_RNA) where: Base-Base interactions energy: -1031.588 where: short stacking energy: -506.782 Base-Backbone interact. energy: -2.454 local terms energy: -464.460903 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -87.955 flat angles C4'-P-C4' energy: -117.848 flat angles P-C4'-P energy: -63.402 tors. eta vs tors. theta energy: -113.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1300.344547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.344547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.344547 (E_RNA) where: Base-Base interactions energy: -876.116 where: short stacking energy: -446.950 Base-Backbone interact. energy: -0.755 local terms energy: -423.473619 where: bonds (distance) C4'-P energy: -90.850 bonds (distance) P-C4' energy: -85.392 flat angles C4'-P-C4' energy: -94.078 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -96.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1326.313412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.313412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.313412 (E_RNA) where: Base-Base interactions energy: -917.831 where: short stacking energy: -464.692 Base-Backbone interact. energy: -1.361 local terms energy: -407.122034 where: bonds (distance) C4'-P energy: -84.759 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -102.621 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: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1164.031713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.031713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.031713 (E_RNA) where: Base-Base interactions energy: -734.890 where: short stacking energy: -420.030 Base-Backbone interact. energy: -1.731 local terms energy: -427.410284 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -91.925 flat angles C4'-P-C4' energy: -97.792 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: -101.455 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: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1105.086292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.086292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.086292 (E_RNA) where: Base-Base interactions energy: -692.105 where: short stacking energy: -361.859 Base-Backbone interact. energy: -2.538 local terms energy: -410.443075 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -100.574 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -77.589 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: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -910.725618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.725618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.725618 (E_RNA) where: Base-Base interactions energy: -564.683 where: short stacking energy: -328.185 Base-Backbone interact. energy: -1.323 local terms energy: -344.718968 where: bonds (distance) C4'-P energy: -73.333 bonds (distance) P-C4' energy: -83.067 flat angles C4'-P-C4' energy: -83.662 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: -55.529 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: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -868.607386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.607386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.607386 (E_RNA) where: Base-Base interactions energy: -543.866 where: short stacking energy: -298.317 Base-Backbone interact. energy: 2.000 local terms energy: -326.742082 where: bonds (distance) C4'-P energy: -56.651 bonds (distance) P-C4' energy: -81.829 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -60.805 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: 2 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -725.726155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.726155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.726155 (E_RNA) where: Base-Base interactions energy: -427.439 where: short stacking energy: -277.317 Base-Backbone interact. energy: 0.027 local terms energy: -298.314256 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -76.870 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: -34.050 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: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -595.301421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.301421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.301421 (E_RNA) where: Base-Base interactions energy: -327.564 where: short stacking energy: -240.365 Base-Backbone interact. energy: 2.126 local terms energy: -269.863455 where: bonds (distance) C4'-P energy: -79.117 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -67.876 flat angles P-C4'-P energy: -28.993 tors. eta vs tors. theta energy: -28.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1537.545574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.545574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.545574 (E_RNA) where: Base-Base interactions energy: -1061.489 where: short stacking energy: -516.683 Base-Backbone interact. energy: -0.195 local terms energy: -475.861593 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -93.721 flat angles C4'-P-C4' energy: -105.495 flat angles P-C4'-P energy: -64.107 tors. eta vs tors. theta energy: -118.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1524.162923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.162923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.162923 (E_RNA) where: Base-Base interactions energy: -1063.870 where: short stacking energy: -492.660 Base-Backbone interact. energy: -0.530 local terms energy: -459.762805 where: bonds (distance) C4'-P energy: -91.307 bonds (distance) P-C4' energy: -91.775 flat angles C4'-P-C4' energy: -106.720 flat angles P-C4'-P energy: -67.739 tors. eta vs tors. theta energy: -102.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1381.993067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.993067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.993067 (E_RNA) where: Base-Base interactions energy: -945.178 where: short stacking energy: -439.004 Base-Backbone interact. energy: -2.013 local terms energy: -434.802455 where: bonds (distance) C4'-P energy: -92.802 bonds (distance) P-C4' energy: -88.239 flat angles C4'-P-C4' energy: -97.010 flat angles P-C4'-P energy: -54.423 tors. eta vs tors. theta energy: -102.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1281.369926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.369926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.369926 (E_RNA) where: Base-Base interactions energy: -861.491 where: short stacking energy: -427.940 Base-Backbone interact. energy: 3.019 local terms energy: -422.897610 where: bonds (distance) C4'-P energy: -88.014 bonds (distance) P-C4' energy: -92.176 flat angles C4'-P-C4' energy: -91.771 flat angles P-C4'-P energy: -56.029 tors. eta vs tors. theta energy: -94.907 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: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1150.573625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.573625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.573625 (E_RNA) where: Base-Base interactions energy: -726.831 where: short stacking energy: -419.651 Base-Backbone interact. energy: 1.144 local terms energy: -424.886570 where: bonds (distance) C4'-P energy: -100.122 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -54.333 tors. eta vs tors. theta energy: -89.088 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: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1089.633678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.633678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.633678 (E_RNA) where: Base-Base interactions energy: -707.271 where: short stacking energy: -394.797 Base-Backbone interact. energy: -3.006 local terms energy: -379.356735 where: bonds (distance) C4'-P energy: -77.405 bonds (distance) P-C4' energy: -79.132 flat angles C4'-P-C4' energy: -82.692 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -89.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -925.938563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.938563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.938563 (E_RNA) where: Base-Base interactions energy: -580.386 where: short stacking energy: -320.937 Base-Backbone interact. energy: -0.921 local terms energy: -344.631470 where: bonds (distance) C4'-P energy: -79.439 bonds (distance) P-C4' energy: -79.968 flat angles C4'-P-C4' energy: -89.785 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -51.413 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: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -919.243764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.243764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.243764 (E_RNA) where: Base-Base interactions energy: -571.744 where: short stacking energy: -309.785 Base-Backbone interact. energy: -3.198 local terms energy: -344.301799 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -92.039 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -62.179 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: 2 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -750.277364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.277364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.277364 (E_RNA) where: Base-Base interactions energy: -451.544 where: short stacking energy: -267.872 Base-Backbone interact. energy: 1.307 local terms energy: -300.040382 where: bonds (distance) C4'-P energy: -68.747 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -70.057 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -37.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -579.811117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.811117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.811117 (E_RNA) where: Base-Base interactions energy: -325.345 where: short stacking energy: -187.296 Base-Backbone interact. energy: 6.522 local terms energy: -260.987516 where: bonds (distance) C4'-P energy: -74.980 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: 4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1559.383864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.383864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.383864 (E_RNA) where: Base-Base interactions energy: -1053.319 where: short stacking energy: -532.117 Base-Backbone interact. energy: -3.894 local terms energy: -502.171449 where: bonds (distance) C4'-P energy: -91.798 bonds (distance) P-C4' energy: -96.645 flat angles C4'-P-C4' energy: -108.856 flat angles P-C4'-P energy: -85.048 tors. eta vs tors. theta energy: -119.826 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: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1534.169050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.169050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.169050 (E_RNA) where: Base-Base interactions energy: -1088.884 where: short stacking energy: -488.871 Base-Backbone interact. energy: -2.117 local terms energy: -443.168118 where: bonds (distance) C4'-P energy: -93.929 bonds (distance) P-C4' energy: -74.392 flat angles C4'-P-C4' energy: -100.618 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -110.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1356.261036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.261036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.261036 (E_RNA) where: Base-Base interactions energy: -924.787 where: short stacking energy: -456.721 Base-Backbone interact. energy: -3.862 local terms energy: -427.612434 where: bonds (distance) C4'-P energy: -93.470 bonds (distance) P-C4' energy: -80.475 flat angles C4'-P-C4' energy: -95.945 flat angles P-C4'-P energy: -57.812 tors. eta vs tors. theta energy: -99.910 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: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1265.571162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.571162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.571162 (E_RNA) where: Base-Base interactions energy: -857.751 where: short stacking energy: -414.751 Base-Backbone interact. energy: -3.480 local terms energy: -404.340100 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -85.948 flat angles C4'-P-C4' energy: -97.228 flat angles P-C4'-P energy: -50.551 tors. eta vs tors. theta energy: -86.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1206.609996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.609996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.609996 (E_RNA) where: Base-Base interactions energy: -771.809 where: short stacking energy: -404.757 Base-Backbone interact. energy: -2.344 local terms energy: -432.457100 where: bonds (distance) C4'-P energy: -94.889 bonds (distance) P-C4' energy: -82.514 flat angles C4'-P-C4' energy: -100.494 flat angles P-C4'-P energy: -65.116 tors. eta vs tors. theta energy: -89.445 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: 1 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1032.095102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.095102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.095102 (E_RNA) where: Base-Base interactions energy: -671.616 where: short stacking energy: -348.646 Base-Backbone interact. energy: 4.358 local terms energy: -364.837381 where: bonds (distance) C4'-P energy: -86.674 bonds (distance) P-C4' energy: -80.750 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -59.323 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: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -939.509888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.509888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.509888 (E_RNA) where: Base-Base interactions energy: -562.968 where: short stacking energy: -332.757 Base-Backbone interact. energy: 3.212 local terms energy: -379.754098 where: bonds (distance) C4'-P energy: -81.859 bonds (distance) P-C4' energy: -78.397 flat angles C4'-P-C4' energy: -96.367 flat angles P-C4'-P energy: -62.875 tors. eta vs tors. theta energy: -60.256 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: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -926.149151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.149151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.149151 (E_RNA) where: Base-Base interactions energy: -589.021 where: short stacking energy: -315.360 Base-Backbone interact. energy: -0.757 local terms energy: -336.371586 where: bonds (distance) C4'-P energy: -71.771 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -82.951 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -64.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -814.727299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.727299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.727299 (E_RNA) where: Base-Base interactions energy: -512.872 where: short stacking energy: -265.187 Base-Backbone interact. energy: -4.243 local terms energy: -297.612232 where: bonds (distance) C4'-P energy: -68.787 bonds (distance) P-C4' energy: -75.233 flat angles C4'-P-C4' energy: -78.532 flat angles P-C4'-P energy: -36.055 tors. eta vs tors. theta energy: -39.006 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -691.577122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.577122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.577122 (E_RNA) where: Base-Base interactions energy: -398.058 where: short stacking energy: -225.278 Base-Backbone interact. energy: 0.473 local terms energy: -293.991430 where: bonds (distance) C4'-P energy: -74.718 bonds (distance) P-C4' energy: -76.446 flat angles C4'-P-C4' energy: -74.991 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -26.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1557.873355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.873355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.873355 (E_RNA) where: Base-Base interactions energy: -1098.127 where: short stacking energy: -524.728 Base-Backbone interact. energy: -4.666 local terms energy: -455.079789 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -85.827 flat angles C4'-P-C4' energy: -105.512 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -112.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1516.026431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.026431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.026431 (E_RNA) where: Base-Base interactions energy: -1067.677 where: short stacking energy: -486.552 Base-Backbone interact. energy: -3.226 local terms energy: -445.124026 where: bonds (distance) C4'-P energy: -82.422 bonds (distance) P-C4' energy: -101.378 flat angles C4'-P-C4' energy: -103.002 flat angles P-C4'-P energy: -47.332 tors. eta vs tors. theta energy: -110.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1381.811975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.811975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.811975 (E_RNA) where: Base-Base interactions energy: -948.647 where: short stacking energy: -464.141 Base-Backbone interact. energy: -3.314 local terms energy: -429.850916 where: bonds (distance) C4'-P energy: -89.212 bonds (distance) P-C4' energy: -90.488 flat angles C4'-P-C4' energy: -98.045 flat angles P-C4'-P energy: -53.691 tors. eta vs tors. theta energy: -98.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1261.455542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.455542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.455542 (E_RNA) where: Base-Base interactions energy: -828.925 where: short stacking energy: -420.799 Base-Backbone interact. energy: -2.381 local terms energy: -430.150072 where: bonds (distance) C4'-P energy: -91.134 bonds (distance) P-C4' energy: -101.091 flat angles C4'-P-C4' energy: -90.470 flat angles P-C4'-P energy: -59.001 tors. eta vs tors. theta energy: -88.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1266.835108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.835108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.835108 (E_RNA) where: Base-Base interactions energy: -881.108 where: short stacking energy: -442.820 Base-Backbone interact. energy: -5.020 local terms energy: -380.707636 where: bonds (distance) C4'-P energy: -81.101 bonds (distance) P-C4' energy: -72.362 flat angles C4'-P-C4' energy: -88.173 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -93.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1100.032876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.032876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.032876 (E_RNA) where: Base-Base interactions energy: -699.382 where: short stacking energy: -362.284 Base-Backbone interact. energy: -3.247 local terms energy: -397.403572 where: bonds (distance) C4'-P energy: -76.357 bonds (distance) P-C4' energy: -85.036 flat angles C4'-P-C4' energy: -92.290 flat angles P-C4'-P energy: -66.126 tors. eta vs tors. theta energy: -77.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1056.235203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.235203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.235203 (E_RNA) where: Base-Base interactions energy: -689.925 where: short stacking energy: -346.330 Base-Backbone interact. energy: -1.991 local terms energy: -364.318919 where: bonds (distance) C4'-P energy: -76.830 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -85.798 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -70.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -830.055391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.055391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.055391 (E_RNA) where: Base-Base interactions energy: -493.411 where: short stacking energy: -274.023 Base-Backbone interact. energy: 1.606 local terms energy: -338.249929 where: bonds (distance) C4'-P energy: -69.282 bonds (distance) P-C4' energy: -87.217 flat angles C4'-P-C4' energy: -89.367 flat angles P-C4'-P energy: -45.962 tors. eta vs tors. theta energy: -46.422 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: 2 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -882.739763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.739763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.739763 (E_RNA) where: Base-Base interactions energy: -537.936 where: short stacking energy: -276.335 Base-Backbone interact. energy: -4.467 local terms energy: -340.336194 where: bonds (distance) C4'-P energy: -76.579 bonds (distance) P-C4' energy: -80.577 flat angles C4'-P-C4' energy: -87.555 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -39.950 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: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -785.103325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.103325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.103325 (E_RNA) where: Base-Base interactions energy: -499.551 where: short stacking energy: -255.646 Base-Backbone interact. energy: -3.087 local terms energy: -282.465372 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -73.333 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -33.613 tors. eta vs tors. theta energy: -39.432 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: 17 Temperature: 0.900000 Total energy: -1570.347671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.347671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.347671 (E_RNA) where: Base-Base interactions energy: -1077.444 where: short stacking energy: -506.160 Base-Backbone interact. energy: -3.627 local terms energy: -489.276459 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -103.008 flat angles C4'-P-C4' energy: -109.234 flat angles P-C4'-P energy: -60.548 tors. eta vs tors. theta energy: -120.507 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: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1545.334330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.334330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.334330 (E_RNA) where: Base-Base interactions energy: -1065.435 where: short stacking energy: -497.830 Base-Backbone interact. energy: -1.790 local terms energy: -478.109922 where: bonds (distance) C4'-P energy: -85.615 bonds (distance) P-C4' energy: -102.052 flat angles C4'-P-C4' energy: -97.134 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: -120.587 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: 7 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1412.811432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.811432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.811432 (E_RNA) where: Base-Base interactions energy: -956.486 where: short stacking energy: -483.649 Base-Backbone interact. energy: -2.439 local terms energy: -453.887236 where: bonds (distance) C4'-P energy: -77.610 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -104.302 flat angles P-C4'-P energy: -62.148 tors. eta vs tors. theta energy: -115.310 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: 17 Temperature: 1.050000 Total energy: -1337.227931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.227931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.227931 (E_RNA) where: Base-Base interactions energy: -920.243 where: short stacking energy: -440.770 Base-Backbone interact. energy: 0.067 local terms energy: -417.051894 where: bonds (distance) C4'-P energy: -82.819 bonds (distance) P-C4' energy: -82.605 flat angles C4'-P-C4' energy: -89.062 flat angles P-C4'-P energy: -67.344 tors. eta vs tors. theta energy: -95.222 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: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1236.402765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.402765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.402765 (E_RNA) where: Base-Base interactions energy: -823.188 where: short stacking energy: -403.481 Base-Backbone interact. energy: -2.927 local terms energy: -410.286958 where: bonds (distance) C4'-P energy: -76.232 bonds (distance) P-C4' energy: -79.613 flat angles C4'-P-C4' energy: -94.913 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -92.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1139.714060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.714060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.714060 (E_RNA) where: Base-Base interactions energy: -760.057 where: short stacking energy: -422.776 Base-Backbone interact. energy: -2.116 local terms energy: -377.540745 where: bonds (distance) C4'-P energy: -71.441 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -81.378 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -94.276 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: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1035.125362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.125362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.125362 (E_RNA) where: Base-Base interactions energy: -677.893 where: short stacking energy: -367.642 Base-Backbone interact. energy: -2.954 local terms energy: -354.277727 where: bonds (distance) C4'-P energy: -79.955 bonds (distance) P-C4' energy: -75.819 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -71.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -949.940197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.940197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.940197 (E_RNA) where: Base-Base interactions energy: -612.335 where: short stacking energy: -333.217 Base-Backbone interact. energy: -1.295 local terms energy: -336.310048 where: bonds (distance) C4'-P energy: -73.972 bonds (distance) P-C4' energy: -73.666 flat angles C4'-P-C4' energy: -73.680 flat angles P-C4'-P energy: -43.630 tors. eta vs tors. theta energy: -71.363 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: 3 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -821.868418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.868418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.868418 (E_RNA) where: Base-Base interactions energy: -542.729 where: short stacking energy: -296.590 Base-Backbone interact. energy: -0.456 local terms energy: -278.683909 where: bonds (distance) C4'-P energy: -62.044 bonds (distance) P-C4' energy: -77.937 flat angles C4'-P-C4' energy: -62.512 flat angles P-C4'-P energy: -42.180 tors. eta vs tors. theta energy: -34.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -937.541586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.541586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.541586 (E_RNA) where: Base-Base interactions energy: -644.262 where: short stacking energy: -308.400 Base-Backbone interact. energy: -1.899 local terms energy: -291.380074 where: bonds (distance) C4'-P energy: -84.311 bonds (distance) P-C4' energy: -62.233 flat angles C4'-P-C4' energy: -73.411 flat angles P-C4'-P energy: -26.450 tors. eta vs tors. theta energy: -44.975 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: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1567.700932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.700932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.700932 (E_RNA) where: Base-Base interactions energy: -1075.717 where: short stacking energy: -524.545 Base-Backbone interact. energy: -2.781 local terms energy: -489.203351 where: bonds (distance) C4'-P energy: -91.621 bonds (distance) P-C4' energy: -99.689 flat angles C4'-P-C4' energy: -104.250 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -122.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1569.095342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.095342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.095342 (E_RNA) where: Base-Base interactions energy: -1089.580 where: short stacking energy: -505.222 Base-Backbone interact. energy: -0.612 local terms energy: -478.903241 where: bonds (distance) C4'-P energy: -81.446 bonds (distance) P-C4' energy: -105.650 flat angles C4'-P-C4' energy: -93.933 flat angles P-C4'-P energy: -72.171 tors. eta vs tors. theta energy: -125.702 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: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1474.751047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.751047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.751047 (E_RNA) where: Base-Base interactions energy: -1017.475 where: short stacking energy: -500.954 Base-Backbone interact. energy: 0.784 local terms energy: -458.060289 where: bonds (distance) C4'-P energy: -84.904 bonds (distance) P-C4' energy: -100.942 flat angles C4'-P-C4' energy: -94.345 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -119.091 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: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1339.266800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.266800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.266800 (E_RNA) where: Base-Base interactions energy: -899.886 where: short stacking energy: -453.753 Base-Backbone interact. energy: -0.807 local terms energy: -438.573393 where: bonds (distance) C4'-P energy: -90.787 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -97.907 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -98.772 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1245.673394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.673394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.673394 (E_RNA) where: Base-Base interactions energy: -883.370 where: short stacking energy: -438.722 Base-Backbone interact. energy: 4.134 local terms energy: -366.437011 where: bonds (distance) C4'-P energy: -73.311 bonds (distance) P-C4' energy: -71.048 flat angles C4'-P-C4' energy: -77.470 flat angles P-C4'-P energy: -54.844 tors. eta vs tors. theta energy: -89.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1125.257347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.257347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.257347 (E_RNA) where: Base-Base interactions energy: -713.356 where: short stacking energy: -380.072 Base-Backbone interact. energy: -3.252 local terms energy: -408.649584 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -90.449 flat angles C4'-P-C4' energy: -87.965 flat angles P-C4'-P energy: -62.207 tors. eta vs tors. theta energy: -77.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1117.531692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.531692 (E_RNA) where: Base-Base interactions energy: -732.082 where: short stacking energy: -360.514 Base-Backbone interact. energy: 4.869 local terms energy: -390.318801 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -93.069 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -82.450 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: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -976.541087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.541087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.541087 (E_RNA) where: Base-Base interactions energy: -655.093 where: short stacking energy: -338.356 Base-Backbone interact. energy: 1.230 local terms energy: -322.677928 where: bonds (distance) C4'-P energy: -75.708 bonds (distance) P-C4' energy: -68.846 flat angles C4'-P-C4' energy: -84.065 flat angles P-C4'-P energy: -41.348 tors. eta vs tors. theta energy: -52.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1037.161113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.161113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.161113 (E_RNA) where: Base-Base interactions energy: -686.859 where: short stacking energy: -331.340 Base-Backbone interact. energy: -0.895 local terms energy: -349.406547 where: bonds (distance) C4'-P energy: -70.640 bonds (distance) P-C4' energy: -74.576 flat angles C4'-P-C4' energy: -71.576 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: -71.458 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: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -769.918793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.918793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.918793 (E_RNA) where: Base-Base interactions energy: -478.122 where: short stacking energy: -257.167 Base-Backbone interact. energy: -2.168 local terms energy: -289.628343 where: bonds (distance) C4'-P energy: -76.722 bonds (distance) P-C4' energy: -76.760 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -47.300 tors. eta vs tors. theta energy: -30.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1576.048640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.048640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.048640 (E_RNA) where: Base-Base interactions energy: -1082.647 where: short stacking energy: -498.131 Base-Backbone interact. energy: -3.417 local terms energy: -489.983975 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -96.354 flat angles C4'-P-C4' energy: -104.612 flat angles P-C4'-P energy: -70.729 tors. eta vs tors. theta energy: -123.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1563.556603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.556603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.556603 (E_RNA) where: Base-Base interactions energy: -1103.961 where: short stacking energy: -510.356 Base-Backbone interact. energy: -5.209 local terms energy: -454.386562 where: bonds (distance) C4'-P energy: -80.003 bonds (distance) P-C4' energy: -88.507 flat angles C4'-P-C4' energy: -107.688 flat angles P-C4'-P energy: -55.816 tors. eta vs tors. theta energy: -122.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1403.805217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.805217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.805217 (E_RNA) where: Base-Base interactions energy: -955.355 where: short stacking energy: -462.752 Base-Backbone interact. energy: 0.013 local terms energy: -448.463362 where: bonds (distance) C4'-P energy: -88.619 bonds (distance) P-C4' energy: -92.962 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -103.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1347.661300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.661300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.661300 (E_RNA) where: Base-Base interactions energy: -907.541 where: short stacking energy: -445.647 Base-Backbone interact. energy: -1.686 local terms energy: -438.434332 where: bonds (distance) C4'-P energy: -93.338 bonds (distance) P-C4' energy: -73.869 flat angles C4'-P-C4' energy: -100.706 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: -106.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1248.457408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.457408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.457408 (E_RNA) where: Base-Base interactions energy: -844.020 where: short stacking energy: -402.959 Base-Backbone interact. energy: -0.638 local terms energy: -403.799108 where: bonds (distance) C4'-P energy: -84.979 bonds (distance) P-C4' energy: -91.296 flat angles C4'-P-C4' energy: -99.971 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -79.651 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: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1167.682662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.682662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.682662 (E_RNA) where: Base-Base interactions energy: -750.479 where: short stacking energy: -387.093 Base-Backbone interact. energy: -1.828 local terms energy: -415.375669 where: bonds (distance) C4'-P energy: -81.032 bonds (distance) P-C4' energy: -86.982 flat angles C4'-P-C4' energy: -92.212 flat angles P-C4'-P energy: -65.566 tors. eta vs tors. theta energy: -89.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1051.391489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.391489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.391489 (E_RNA) where: Base-Base interactions energy: -686.614 where: short stacking energy: -350.112 Base-Backbone interact. energy: -1.294 local terms energy: -363.483618 where: bonds (distance) C4'-P energy: -80.273 bonds (distance) P-C4' energy: -79.043 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -55.360 tors. eta vs tors. theta energy: -59.148 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: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1046.500335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.500335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.500335 (E_RNA) where: Base-Base interactions energy: -709.387 where: short stacking energy: -366.425 Base-Backbone interact. energy: 1.044 local terms energy: -338.156943 where: bonds (distance) C4'-P energy: -71.587 bonds (distance) P-C4' energy: -82.660 flat angles C4'-P-C4' energy: -74.110 flat angles P-C4'-P energy: -37.246 tors. eta vs tors. theta energy: -72.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -964.972376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.972376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.972376 (E_RNA) where: Base-Base interactions energy: -630.930 where: short stacking energy: -318.078 Base-Backbone interact. energy: 1.571 local terms energy: -335.613047 where: bonds (distance) C4'-P energy: -70.366 bonds (distance) P-C4' energy: -84.907 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -43.968 tors. eta vs tors. theta energy: -65.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -754.335832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.335832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.335832 (E_RNA) where: Base-Base interactions energy: -441.256 where: short stacking energy: -264.408 Base-Backbone interact. energy: -1.803 local terms energy: -311.276602 where: bonds (distance) C4'-P energy: -75.769 bonds (distance) P-C4' energy: -79.399 flat angles C4'-P-C4' energy: -67.845 flat angles P-C4'-P energy: -48.127 tors. eta vs tors. theta energy: -40.137 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: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1584.500494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.500494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.500494 (E_RNA) where: Base-Base interactions energy: -1112.748 where: short stacking energy: -532.561 Base-Backbone interact. energy: -0.878 local terms energy: -470.873715 where: bonds (distance) C4'-P energy: -89.202 bonds (distance) P-C4' energy: -103.074 flat angles C4'-P-C4' energy: -103.641 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -115.552 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: 2, replica: 8 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1556.465672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.465672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.465672 (E_RNA) where: Base-Base interactions energy: -1068.654 where: short stacking energy: -486.041 Base-Backbone interact. energy: -2.536 local terms energy: -485.275711 where: bonds (distance) C4'-P energy: -98.142 bonds (distance) P-C4' energy: -101.102 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: -112.512 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: 20 Temperature: 1.000000 Total energy: -1432.516411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.516411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.516411 (E_RNA) where: Base-Base interactions energy: -976.956 where: short stacking energy: -493.335 Base-Backbone interact. energy: -1.823 local terms energy: -453.737404 where: bonds (distance) C4'-P energy: -85.635 bonds (distance) P-C4' energy: -93.087 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -59.547 tors. eta vs tors. theta energy: -111.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1364.901091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.901091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.901091 (E_RNA) where: Base-Base interactions energy: -934.708 where: short stacking energy: -460.377 Base-Backbone interact. energy: -2.767 local terms energy: -427.426251 where: bonds (distance) C4'-P energy: -80.264 bonds (distance) P-C4' energy: -86.507 flat angles C4'-P-C4' energy: -89.647 flat angles P-C4'-P energy: -58.034 tors. eta vs tors. theta energy: -112.975 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: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1250.711364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.711364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.711364 (E_RNA) where: Base-Base interactions energy: -838.355 where: short stacking energy: -423.239 Base-Backbone interact. energy: -0.464 local terms energy: -411.892242 where: bonds (distance) C4'-P energy: -84.227 bonds (distance) P-C4' energy: -83.003 flat angles C4'-P-C4' energy: -94.049 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -94.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1152.338018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.338018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.338018 (E_RNA) where: Base-Base interactions energy: -768.144 where: short stacking energy: -357.951 Base-Backbone interact. energy: -1.790 local terms energy: -382.403873 where: bonds (distance) C4'-P energy: -75.793 bonds (distance) P-C4' energy: -81.740 flat angles C4'-P-C4' energy: -86.621 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -77.665 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: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1144.164567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.164567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.164567 (E_RNA) where: Base-Base interactions energy: -796.503 where: short stacking energy: -359.027 Base-Backbone interact. energy: -0.528 local terms energy: -347.133622 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -64.832 flat angles C4'-P-C4' energy: -76.711 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: -75.900 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: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1128.707124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.707124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.707124 (E_RNA) where: Base-Base interactions energy: -740.594 where: short stacking energy: -403.652 Base-Backbone interact. energy: 2.884 local terms energy: -390.996425 where: bonds (distance) C4'-P energy: -76.925 bonds (distance) P-C4' energy: -81.315 flat angles C4'-P-C4' energy: -77.470 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -84.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1020.320442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.320442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.320442 (E_RNA) where: Base-Base interactions energy: -667.887 where: short stacking energy: -355.680 Base-Backbone interact. energy: -1.802 local terms energy: -350.631828 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -87.401 flat angles C4'-P-C4' energy: -70.654 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -81.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -882.714252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.714252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.714252 (E_RNA) where: Base-Base interactions energy: -575.139 where: short stacking energy: -303.396 Base-Backbone interact. energy: -2.726 local terms energy: -304.848959 where: bonds (distance) C4'-P energy: -45.560 bonds (distance) P-C4' energy: -92.457 flat angles C4'-P-C4' energy: -74.498 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -44.618 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: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1605.305646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.305646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.305646 (E_RNA) where: Base-Base interactions energy: -1112.412 where: short stacking energy: -527.303 Base-Backbone interact. energy: -2.104 local terms energy: -490.789927 where: bonds (distance) C4'-P energy: -95.464 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -107.579 flat angles P-C4'-P energy: -72.381 tors. eta vs tors. theta energy: -117.474 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: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1584.416025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.416025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.416025 (E_RNA) where: Base-Base interactions energy: -1115.807 where: short stacking energy: -518.044 Base-Backbone interact. energy: -1.032 local terms energy: -467.576713 where: bonds (distance) C4'-P energy: -82.529 bonds (distance) P-C4' energy: -93.430 flat angles C4'-P-C4' energy: -103.435 flat angles P-C4'-P energy: -70.840 tors. eta vs tors. theta energy: -117.342 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: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1469.293557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.293557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.293557 (E_RNA) where: Base-Base interactions energy: -1021.159 where: short stacking energy: -463.130 Base-Backbone interact. energy: -3.031 local terms energy: -445.103733 where: bonds (distance) C4'-P energy: -82.350 bonds (distance) P-C4' energy: -91.217 flat angles C4'-P-C4' energy: -100.112 flat angles P-C4'-P energy: -66.453 tors. eta vs tors. theta energy: -104.971 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: 21 Temperature: 1.050000 Total energy: -1448.431175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.431175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.431175 (E_RNA) where: Base-Base interactions energy: -1008.984 where: short stacking energy: -486.897 Base-Backbone interact. energy: -3.765 local terms energy: -435.681966 where: bonds (distance) C4'-P energy: -80.777 bonds (distance) P-C4' energy: -84.515 flat angles C4'-P-C4' energy: -91.972 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -115.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1304.590122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.590122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.590122 (E_RNA) where: Base-Base interactions energy: -907.684 where: short stacking energy: -409.600 Base-Backbone interact. energy: -1.717 local terms energy: -395.189186 where: bonds (distance) C4'-P energy: -77.279 bonds (distance) P-C4' energy: -90.416 flat angles C4'-P-C4' energy: -94.514 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -83.305 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: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1236.242339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.242339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.242339 (E_RNA) where: Base-Base interactions energy: -824.944 where: short stacking energy: -383.474 Base-Backbone interact. energy: -4.744 local terms energy: -406.554127 where: bonds (distance) C4'-P energy: -81.334 bonds (distance) P-C4' energy: -96.993 flat angles C4'-P-C4' energy: -89.429 flat angles P-C4'-P energy: -55.265 tors. eta vs tors. theta energy: -83.534 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1165.964177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.964177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.964177 (E_RNA) where: Base-Base interactions energy: -791.750 where: short stacking energy: -370.071 Base-Backbone interact. energy: -1.730 local terms energy: -372.484209 where: bonds (distance) C4'-P energy: -75.289 bonds (distance) P-C4' energy: -88.940 flat angles C4'-P-C4' energy: -79.586 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -77.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1218.497452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.497452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.497452 (E_RNA) where: Base-Base interactions energy: -839.575 where: short stacking energy: -400.673 Base-Backbone interact. energy: 2.028 local terms energy: -380.950721 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -77.864 flat angles C4'-P-C4' energy: -83.816 flat angles P-C4'-P energy: -50.355 tors. eta vs tors. theta energy: -94.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1097.597333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.597333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.597333 (E_RNA) where: Base-Base interactions energy: -738.986 where: short stacking energy: -358.274 Base-Backbone interact. energy: -1.411 local terms energy: -357.200381 where: bonds (distance) C4'-P energy: -57.453 bonds (distance) P-C4' energy: -80.786 flat angles C4'-P-C4' energy: -89.121 flat angles P-C4'-P energy: -62.003 tors. eta vs tors. theta energy: -67.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -798.293564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.293564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.293564 (E_RNA) where: Base-Base interactions energy: -490.474 where: short stacking energy: -275.710 Base-Backbone interact. energy: 1.701 local terms energy: -309.520210 where: bonds (distance) C4'-P energy: -90.822 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -28.573 tors. eta vs tors. theta energy: -41.322 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: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1621.958736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.958736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.958736 (E_RNA) where: Base-Base interactions energy: -1131.343 where: short stacking energy: -510.948 Base-Backbone interact. energy: -1.745 local terms energy: -488.871408 where: bonds (distance) C4'-P energy: -100.013 bonds (distance) P-C4' energy: -101.538 flat angles C4'-P-C4' energy: -115.430 flat angles P-C4'-P energy: -53.903 tors. eta vs tors. theta energy: -117.987 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: 22 Temperature: 0.950000 Total energy: -1547.190673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.190673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.190673 (E_RNA) where: Base-Base interactions energy: -1079.177 where: short stacking energy: -486.891 Base-Backbone interact. energy: 0.377 local terms energy: -468.390320 where: bonds (distance) C4'-P energy: -101.680 bonds (distance) P-C4' energy: -91.337 flat angles C4'-P-C4' energy: -98.882 flat angles P-C4'-P energy: -68.475 tors. eta vs tors. theta energy: -108.016 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: 7 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1476.464711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.464711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.464711 (E_RNA) where: Base-Base interactions energy: -1018.777 where: short stacking energy: -457.006 Base-Backbone interact. energy: -6.243 local terms energy: -451.444960 where: bonds (distance) C4'-P energy: -95.897 bonds (distance) P-C4' energy: -95.319 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -60.508 tors. eta vs tors. theta energy: -99.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1445.887914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.887914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.887914 (E_RNA) where: Base-Base interactions energy: -995.764 where: short stacking energy: -468.804 Base-Backbone interact. energy: -4.383 local terms energy: -445.741192 where: bonds (distance) C4'-P energy: -78.598 bonds (distance) P-C4' energy: -86.627 flat angles C4'-P-C4' energy: -98.283 flat angles P-C4'-P energy: -66.070 tors. eta vs tors. theta energy: -116.164 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: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1303.413920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.413920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.413920 (E_RNA) where: Base-Base interactions energy: -889.184 where: short stacking energy: -414.953 Base-Backbone interact. energy: -2.384 local terms energy: -411.845939 where: bonds (distance) C4'-P energy: -89.039 bonds (distance) P-C4' energy: -85.455 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -53.130 tors. eta vs tors. theta energy: -90.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1244.888618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.888618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.888618 (E_RNA) where: Base-Base interactions energy: -845.588 where: short stacking energy: -399.107 Base-Backbone interact. energy: -5.535 local terms energy: -393.764834 where: bonds (distance) C4'-P energy: -70.383 bonds (distance) P-C4' energy: -87.511 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: -85.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1264.326858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.326858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.326858 (E_RNA) where: Base-Base interactions energy: -861.514 where: short stacking energy: -406.451 Base-Backbone interact. energy: -0.323 local terms energy: -402.489657 where: bonds (distance) C4'-P energy: -75.929 bonds (distance) P-C4' energy: -91.099 flat angles C4'-P-C4' energy: -88.147 flat angles P-C4'-P energy: -52.552 tors. eta vs tors. theta energy: -94.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1128.365985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.365985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.365985 (E_RNA) where: Base-Base interactions energy: -752.301 where: short stacking energy: -359.960 Base-Backbone interact. energy: -2.165 local terms energy: -373.899600 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -89.824 flat angles C4'-P-C4' energy: -84.462 flat angles P-C4'-P energy: -51.203 tors. eta vs tors. theta energy: -72.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1043.243001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.243001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.243001 (E_RNA) where: Base-Base interactions energy: -670.977 where: short stacking energy: -340.188 Base-Backbone interact. energy: -0.861 local terms energy: -371.405289 where: bonds (distance) C4'-P energy: -81.247 bonds (distance) P-C4' energy: -82.966 flat angles C4'-P-C4' energy: -94.981 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: -70.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -693.265073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.265073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.265073 (E_RNA) where: Base-Base interactions energy: -411.451 where: short stacking energy: -235.611 Base-Backbone interact. energy: 0.797 local terms energy: -282.611577 where: bonds (distance) C4'-P energy: -77.562 bonds (distance) P-C4' energy: -84.904 flat angles C4'-P-C4' energy: -64.692 flat angles P-C4'-P energy: -34.758 tors. eta vs tors. theta energy: -20.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1640.815951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.815951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.815951 (E_RNA) where: Base-Base interactions energy: -1156.165 where: short stacking energy: -517.136 Base-Backbone interact. energy: -4.820 local terms energy: -479.830729 where: bonds (distance) C4'-P energy: -82.090 bonds (distance) P-C4' energy: -96.992 flat angles C4'-P-C4' energy: -106.860 flat angles P-C4'-P energy: -64.228 tors. eta vs tors. theta energy: -129.661 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: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1555.949521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.949521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.949521 (E_RNA) where: Base-Base interactions energy: -1080.606 where: short stacking energy: -479.160 Base-Backbone interact. energy: 0.145 local terms energy: -475.488613 where: bonds (distance) C4'-P energy: -82.516 bonds (distance) P-C4' energy: -91.621 flat angles C4'-P-C4' energy: -112.274 flat angles P-C4'-P energy: -75.390 tors. eta vs tors. theta energy: -113.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1488.193437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.193437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.193437 (E_RNA) where: Base-Base interactions energy: -1040.283 where: short stacking energy: -497.355 Base-Backbone interact. energy: -2.249 local terms energy: -445.660869 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -92.303 flat angles C4'-P-C4' energy: -95.963 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -111.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1437.060696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.060696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.060696 (E_RNA) where: Base-Base interactions energy: -987.907 where: short stacking energy: -432.154 Base-Backbone interact. energy: 4.885 local terms energy: -454.038275 where: bonds (distance) C4'-P energy: -92.436 bonds (distance) P-C4' energy: -94.428 flat angles C4'-P-C4' energy: -97.488 flat angles P-C4'-P energy: -72.566 tors. eta vs tors. theta energy: -97.120 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: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1327.112782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.112782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.112782 (E_RNA) where: Base-Base interactions energy: -899.957 where: short stacking energy: -422.001 Base-Backbone interact. energy: -4.613 local terms energy: -422.542280 where: bonds (distance) C4'-P energy: -79.217 bonds (distance) P-C4' energy: -82.889 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -102.043 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: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1388.768411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.768411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.768411 (E_RNA) where: Base-Base interactions energy: -961.555 where: short stacking energy: -472.980 Base-Backbone interact. energy: -0.215 local terms energy: -426.998332 where: bonds (distance) C4'-P energy: -74.065 bonds (distance) P-C4' energy: -85.597 flat angles C4'-P-C4' energy: -97.191 flat angles P-C4'-P energy: -60.092 tors. eta vs tors. theta energy: -110.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1159.469938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.469938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.469938 (E_RNA) where: Base-Base interactions energy: -787.864 where: short stacking energy: -402.764 Base-Backbone interact. energy: -2.828 local terms energy: -368.777720 where: bonds (distance) C4'-P energy: -71.501 bonds (distance) P-C4' energy: -75.635 flat angles C4'-P-C4' energy: -85.801 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -87.927 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: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1117.318294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.318294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.318294 (E_RNA) where: Base-Base interactions energy: -753.243 where: short stacking energy: -350.885 Base-Backbone interact. energy: -0.017 local terms energy: -364.058765 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -72.083 flat angles C4'-P-C4' energy: -85.363 flat angles P-C4'-P energy: -63.154 tors. eta vs tors. theta energy: -68.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1039.542071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.542071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.542071 (E_RNA) where: Base-Base interactions energy: -687.581 where: short stacking energy: -345.998 Base-Backbone interact. energy: 10.026 local terms energy: -361.986488 where: bonds (distance) C4'-P energy: -72.644 bonds (distance) P-C4' energy: -87.662 flat angles C4'-P-C4' energy: -76.256 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -62.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -691.710671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.710671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.710671 (E_RNA) where: Base-Base interactions energy: -411.240 where: short stacking energy: -229.906 Base-Backbone interact. energy: -0.206 local terms energy: -280.264213 where: bonds (distance) C4'-P energy: -78.610 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -41.710 tors. eta vs tors. theta energy: -22.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1635.231826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.231826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.231826 (E_RNA) where: Base-Base interactions energy: -1152.548 where: short stacking energy: -516.319 Base-Backbone interact. energy: -3.698 local terms energy: -478.985445 where: bonds (distance) C4'-P energy: -92.319 bonds (distance) P-C4' energy: -90.311 flat angles C4'-P-C4' energy: -106.972 flat angles P-C4'-P energy: -58.282 tors. eta vs tors. theta energy: -131.101 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1557.547701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.547701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.547701 (E_RNA) where: Base-Base interactions energy: -1088.892 where: short stacking energy: -490.545 Base-Backbone interact. energy: -0.087 local terms energy: -468.568065 where: bonds (distance) C4'-P energy: -94.354 bonds (distance) P-C4' energy: -93.618 flat angles C4'-P-C4' energy: -102.180 flat angles P-C4'-P energy: -60.062 tors. eta vs tors. theta energy: -118.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1522.746918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.746918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.746918 (E_RNA) where: Base-Base interactions energy: -1074.137 where: short stacking energy: -492.758 Base-Backbone interact. energy: -1.723 local terms energy: -446.887368 where: bonds (distance) C4'-P energy: -77.966 bonds (distance) P-C4' energy: -89.119 flat angles C4'-P-C4' energy: -100.031 flat angles P-C4'-P energy: -65.150 tors. eta vs tors. theta energy: -114.623 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: 24 Temperature: 1.050000 Total energy: -1474.492805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.492805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.492805 (E_RNA) where: Base-Base interactions energy: -1040.320 where: short stacking energy: -471.277 Base-Backbone interact. energy: 3.140 local terms energy: -437.312205 where: bonds (distance) C4'-P energy: -87.812 bonds (distance) P-C4' energy: -83.851 flat angles C4'-P-C4' energy: -102.256 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -104.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1460.165887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.165887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.165887 (E_RNA) where: Base-Base interactions energy: -994.357 where: short stacking energy: -462.397 Base-Backbone interact. energy: -2.112 local terms energy: -463.696919 where: bonds (distance) C4'-P energy: -90.543 bonds (distance) P-C4' energy: -84.319 flat angles C4'-P-C4' energy: -107.128 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: -114.541 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: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1288.676654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.676654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.676654 (E_RNA) where: Base-Base interactions energy: -887.695 where: short stacking energy: -417.748 Base-Backbone interact. energy: -2.615 local terms energy: -398.366566 where: bonds (distance) C4'-P energy: -83.880 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -77.135 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -99.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1171.050802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.050802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.050802 (E_RNA) where: Base-Base interactions energy: -765.837 where: short stacking energy: -345.007 Base-Backbone interact. energy: 1.187 local terms energy: -406.401457 where: bonds (distance) C4'-P energy: -69.325 bonds (distance) P-C4' energy: -105.449 flat angles C4'-P-C4' energy: -92.932 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -88.132 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: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1228.447214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.447214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.447214 (E_RNA) where: Base-Base interactions energy: -835.183 where: short stacking energy: -402.726 Base-Backbone interact. energy: -0.999 local terms energy: -392.265410 where: bonds (distance) C4'-P energy: -63.731 bonds (distance) P-C4' energy: -85.333 flat angles C4'-P-C4' energy: -86.331 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -100.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1040.141081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.141081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.141081 (E_RNA) where: Base-Base interactions energy: -707.466 where: short stacking energy: -332.154 Base-Backbone interact. energy: -1.385 local terms energy: -331.289926 where: bonds (distance) C4'-P energy: -59.134 bonds (distance) P-C4' energy: -80.670 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -39.494 tors. eta vs tors. theta energy: -72.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -773.831546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.831546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.831546 (E_RNA) where: Base-Base interactions energy: -488.348 where: short stacking energy: -294.044 Base-Backbone interact. energy: 0.561 local terms energy: -286.044408 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -70.456 flat angles C4'-P-C4' energy: -60.656 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -43.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1635.900571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.900571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.900571 (E_RNA) where: Base-Base interactions energy: -1142.321 where: short stacking energy: -513.548 Base-Backbone interact. energy: 0.419 local terms energy: -493.998450 where: bonds (distance) C4'-P energy: -87.540 bonds (distance) P-C4' energy: -113.373 flat angles C4'-P-C4' energy: -99.074 flat angles P-C4'-P energy: -73.849 tors. eta vs tors. theta energy: -120.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1572.986517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.986517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.986517 (E_RNA) where: Base-Base interactions energy: -1100.323 where: short stacking energy: -536.958 Base-Backbone interact. energy: 0.539 local terms energy: -473.202707 where: bonds (distance) C4'-P energy: -82.916 bonds (distance) P-C4' energy: -93.991 flat angles C4'-P-C4' energy: -102.572 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: -124.698 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: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1510.017582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.017582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.017582 (E_RNA) where: Base-Base interactions energy: -1041.564 where: short stacking energy: -495.774 Base-Backbone interact. energy: -5.194 local terms energy: -463.260136 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -88.107 flat angles C4'-P-C4' energy: -109.318 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -117.664 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: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1494.564820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.564820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.564820 (E_RNA) where: Base-Base interactions energy: -1030.640 where: short stacking energy: -497.999 Base-Backbone interact. energy: -2.812 local terms energy: -461.112900 where: bonds (distance) C4'-P energy: -90.042 bonds (distance) P-C4' energy: -83.305 flat angles C4'-P-C4' energy: -96.011 flat angles P-C4'-P energy: -66.849 tors. eta vs tors. theta energy: -124.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1457.931801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.931801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.931801 (E_RNA) where: Base-Base interactions energy: -1043.822 where: short stacking energy: -483.901 Base-Backbone interact. energy: -0.658 local terms energy: -413.451359 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -68.302 flat angles C4'-P-C4' energy: -90.197 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: -115.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1271.735132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.735132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.735132 (E_RNA) where: Base-Base interactions energy: -888.856 where: short stacking energy: -407.204 Base-Backbone interact. energy: -1.918 local terms energy: -380.961018 where: bonds (distance) C4'-P energy: -74.596 bonds (distance) P-C4' energy: -70.669 flat angles C4'-P-C4' energy: -89.656 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -94.851 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: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1221.690532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.690532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.690532 (E_RNA) where: Base-Base interactions energy: -836.975 where: short stacking energy: -376.313 Base-Backbone interact. energy: 1.340 local terms energy: -386.055238 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -96.861 flat angles C4'-P-C4' energy: -79.611 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -92.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1288.279343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.279343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.279343 (E_RNA) where: Base-Base interactions energy: -897.824 where: short stacking energy: -386.683 Base-Backbone interact. energy: 3.452 local terms energy: -393.907856 where: bonds (distance) C4'-P energy: -82.320 bonds (distance) P-C4' energy: -80.719 flat angles C4'-P-C4' energy: -83.360 flat angles P-C4'-P energy: -61.613 tors. eta vs tors. theta energy: -85.895 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: 25 Temperature: 1.300000 Total energy: -1066.747232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.747232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.747232 (E_RNA) where: Base-Base interactions energy: -721.457 where: short stacking energy: -354.798 Base-Backbone interact. energy: 0.271 local terms energy: -345.561118 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -78.339 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -64.537 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: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -843.137527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.137527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.137527 (E_RNA) where: Base-Base interactions energy: -519.704 where: short stacking energy: -293.653 Base-Backbone interact. energy: -1.637 local terms energy: -321.796651 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -93.024 flat angles C4'-P-C4' energy: -75.444 flat angles P-C4'-P energy: -53.710 tors. eta vs tors. theta energy: -37.766 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: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1664.382055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.382055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.382055 (E_RNA) where: Base-Base interactions energy: -1153.225 where: short stacking energy: -542.336 Base-Backbone interact. energy: -3.316 local terms energy: -507.841091 where: bonds (distance) C4'-P energy: -96.379 bonds (distance) P-C4' energy: -101.938 flat angles C4'-P-C4' energy: -105.295 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -129.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1592.696181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.696181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.696181 (E_RNA) where: Base-Base interactions energy: -1102.404 where: short stacking energy: -516.514 Base-Backbone interact. energy: -0.325 local terms energy: -489.967659 where: bonds (distance) C4'-P energy: -97.810 bonds (distance) P-C4' energy: -98.044 flat angles C4'-P-C4' energy: -104.167 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -124.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1587.125219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.125219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.125219 (E_RNA) where: Base-Base interactions energy: -1072.240 where: short stacking energy: -544.545 Base-Backbone interact. energy: -1.672 local terms energy: -513.213416 where: bonds (distance) C4'-P energy: -96.171 bonds (distance) P-C4' energy: -105.601 flat angles C4'-P-C4' energy: -110.743 flat angles P-C4'-P energy: -69.682 tors. eta vs tors. theta energy: -131.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1508.290000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.290000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.290000 (E_RNA) where: Base-Base interactions energy: -1074.809 where: short stacking energy: -494.644 Base-Backbone interact. energy: 1.222 local terms energy: -434.703052 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -83.276 flat angles C4'-P-C4' energy: -92.741 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -110.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1483.893738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.893738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.893738 (E_RNA) where: Base-Base interactions energy: -1054.864 where: short stacking energy: -471.129 Base-Backbone interact. energy: 0.419 local terms energy: -429.449042 where: bonds (distance) C4'-P energy: -87.117 bonds (distance) P-C4' energy: -78.796 flat angles C4'-P-C4' energy: -89.406 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -111.999 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1271.029900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.029900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.029900 (E_RNA) where: Base-Base interactions energy: -898.320 where: short stacking energy: -406.637 Base-Backbone interact. energy: 1.414 local terms energy: -374.124163 where: bonds (distance) C4'-P energy: -81.904 bonds (distance) P-C4' energy: -77.688 flat angles C4'-P-C4' energy: -73.247 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: -87.871 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: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1358.707259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.707259 (E_RNA) where: Base-Base interactions energy: -955.509 where: short stacking energy: -413.179 Base-Backbone interact. energy: -4.763 local terms energy: -398.435028 where: bonds (distance) C4'-P energy: -74.133 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -46.885 tors. eta vs tors. theta energy: -105.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1158.446132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.446132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.446132 (E_RNA) where: Base-Base interactions energy: -788.262 where: short stacking energy: -360.969 Base-Backbone interact. energy: -1.051 local terms energy: -369.133402 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -77.504 flat angles C4'-P-C4' energy: -81.182 flat angles P-C4'-P energy: -61.149 tors. eta vs tors. theta energy: -72.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1114.290166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.290166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.290166 (E_RNA) where: Base-Base interactions energy: -745.035 where: short stacking energy: -374.716 Base-Backbone interact. energy: -0.456 local terms energy: -368.799022 where: bonds (distance) C4'-P energy: -81.305 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -65.056 tors. eta vs tors. theta energy: -82.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -857.340362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.340362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.340362 (E_RNA) where: Base-Base interactions energy: -519.151 where: short stacking energy: -278.809 Base-Backbone interact. energy: -1.968 local terms energy: -336.221396 where: bonds (distance) C4'-P energy: -87.251 bonds (distance) P-C4' energy: -72.963 flat angles C4'-P-C4' energy: -89.963 flat angles P-C4'-P energy: -45.790 tors. eta vs tors. theta energy: -40.255 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: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1633.126420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.126420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.126420 (E_RNA) where: Base-Base interactions energy: -1140.812 where: short stacking energy: -539.437 Base-Backbone interact. energy: -5.173 local terms energy: -487.141293 where: bonds (distance) C4'-P energy: -98.640 bonds (distance) P-C4' energy: -95.378 flat angles C4'-P-C4' energy: -99.113 flat angles P-C4'-P energy: -61.124 tors. eta vs tors. theta energy: -132.886 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: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1589.193846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.193846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.193846 (E_RNA) where: Base-Base interactions energy: -1110.103 where: short stacking energy: -497.294 Base-Backbone interact. energy: -5.236 local terms energy: -473.854814 where: bonds (distance) C4'-P energy: -93.600 bonds (distance) P-C4' energy: -102.664 flat angles C4'-P-C4' energy: -99.236 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: -119.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1554.959550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.959550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.959550 (E_RNA) where: Base-Base interactions energy: -1089.730 where: short stacking energy: -536.133 Base-Backbone interact. energy: -1.556 local terms energy: -463.673520 where: bonds (distance) C4'-P energy: -82.570 bonds (distance) P-C4' energy: -83.918 flat angles C4'-P-C4' energy: -103.428 flat angles P-C4'-P energy: -66.688 tors. eta vs tors. theta energy: -127.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1520.834346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.834346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.834346 (E_RNA) where: Base-Base interactions energy: -1080.803 where: short stacking energy: -507.684 Base-Backbone interact. energy: -2.055 local terms energy: -437.976037 where: bonds (distance) C4'-P energy: -82.126 bonds (distance) P-C4' energy: -83.152 flat angles C4'-P-C4' energy: -99.935 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -120.172 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: 27 Temperature: 1.100000 Total energy: -1515.298807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.298807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.298807 (E_RNA) where: Base-Base interactions energy: -1052.078 where: short stacking energy: -488.036 Base-Backbone interact. energy: -2.704 local terms energy: -460.517038 where: bonds (distance) C4'-P energy: -93.944 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -99.347 flat angles P-C4'-P energy: -65.556 tors. eta vs tors. theta energy: -117.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1353.340288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.340288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.340288 (E_RNA) where: Base-Base interactions energy: -956.815 where: short stacking energy: -415.362 Base-Backbone interact. energy: -4.113 local terms energy: -392.412160 where: bonds (distance) C4'-P energy: -89.814 bonds (distance) P-C4' energy: -81.209 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -50.245 tors. eta vs tors. theta energy: -81.530 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: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1279.980801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.980801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.980801 (E_RNA) where: Base-Base interactions energy: -895.174 where: short stacking energy: -419.050 Base-Backbone interact. energy: -0.456 local terms energy: -384.350562 where: bonds (distance) C4'-P energy: -80.985 bonds (distance) P-C4' energy: -69.004 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -98.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1211.736983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.736983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.736983 (E_RNA) where: Base-Base interactions energy: -834.012 where: short stacking energy: -375.132 Base-Backbone interact. energy: -3.589 local terms energy: -374.136642 where: bonds (distance) C4'-P energy: -73.452 bonds (distance) P-C4' energy: -76.004 flat angles C4'-P-C4' energy: -101.452 flat angles P-C4'-P energy: -45.476 tors. eta vs tors. theta energy: -77.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1206.440974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.440974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.440974 (E_RNA) where: Base-Base interactions energy: -856.284 where: short stacking energy: -379.564 Base-Backbone interact. energy: -3.888 local terms energy: -346.269367 where: bonds (distance) C4'-P energy: -69.254 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -80.787 flat angles P-C4'-P energy: -45.761 tors. eta vs tors. theta energy: -74.323 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: 10, replica: 3 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -772.219517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.219517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.219517 (E_RNA) where: Base-Base interactions energy: -473.619 where: short stacking energy: -241.153 Base-Backbone interact. energy: 2.039 local terms energy: -300.639763 where: bonds (distance) C4'-P energy: -71.912 bonds (distance) P-C4' energy: -87.739 flat angles C4'-P-C4' energy: -57.546 flat angles P-C4'-P energy: -46.026 tors. eta vs tors. theta energy: -37.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1631.042562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.042562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.042562 (E_RNA) where: Base-Base interactions energy: -1146.200 where: short stacking energy: -516.613 Base-Backbone interact. energy: -1.103 local terms energy: -483.739999 where: bonds (distance) C4'-P energy: -88.058 bonds (distance) P-C4' energy: -103.883 flat angles C4'-P-C4' energy: -104.307 flat angles P-C4'-P energy: -78.301 tors. eta vs tors. theta energy: -109.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1597.559908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.559908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.559908 (E_RNA) where: Base-Base interactions energy: -1111.972 where: short stacking energy: -527.068 Base-Backbone interact. energy: -3.638 local terms energy: -481.949419 where: bonds (distance) C4'-P energy: -89.391 bonds (distance) P-C4' energy: -82.279 flat angles C4'-P-C4' energy: -114.206 flat angles P-C4'-P energy: -65.340 tors. eta vs tors. theta energy: -130.734 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: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1591.456432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.456432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.456432 (E_RNA) where: Base-Base interactions energy: -1128.111 where: short stacking energy: -523.366 Base-Backbone interact. energy: 1.010 local terms energy: -464.355598 where: bonds (distance) C4'-P energy: -89.016 bonds (distance) P-C4' energy: -82.700 flat angles C4'-P-C4' energy: -113.474 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -120.167 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: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1498.451232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.451232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.451232 (E_RNA) where: Base-Base interactions energy: -1037.172 where: short stacking energy: -491.833 Base-Backbone interact. energy: -1.323 local terms energy: -459.955424 where: bonds (distance) C4'-P energy: -81.623 bonds (distance) P-C4' energy: -96.997 flat angles C4'-P-C4' energy: -84.647 flat angles P-C4'-P energy: -66.523 tors. eta vs tors. theta energy: -130.165 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: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1457.958421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.958421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.958421 (E_RNA) where: Base-Base interactions energy: -1026.044 where: short stacking energy: -445.272 Base-Backbone interact. energy: -2.657 local terms energy: -429.257389 where: bonds (distance) C4'-P energy: -87.212 bonds (distance) P-C4' energy: -87.068 flat angles C4'-P-C4' energy: -84.114 flat angles P-C4'-P energy: -70.788 tors. eta vs tors. theta energy: -100.075 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: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1426.165240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.165240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.165240 (E_RNA) where: Base-Base interactions energy: -1014.660 where: short stacking energy: -442.554 Base-Backbone interact. energy: -3.124 local terms energy: -408.382022 where: bonds (distance) C4'-P energy: -78.803 bonds (distance) P-C4' energy: -68.477 flat angles C4'-P-C4' energy: -92.779 flat angles P-C4'-P energy: -72.227 tors. eta vs tors. theta energy: -96.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1271.804969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.804969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.804969 (E_RNA) where: Base-Base interactions energy: -869.953 where: short stacking energy: -391.322 Base-Backbone interact. energy: 0.526 local terms energy: -402.378014 where: bonds (distance) C4'-P energy: -82.643 bonds (distance) P-C4' energy: -94.142 flat angles C4'-P-C4' energy: -83.117 flat angles P-C4'-P energy: -47.935 tors. eta vs tors. theta energy: -94.540 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: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1266.379214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.379214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.379214 (E_RNA) where: Base-Base interactions energy: -891.369 where: short stacking energy: -393.020 Base-Backbone interact. energy: -3.210 local terms energy: -371.800288 where: bonds (distance) C4'-P energy: -69.626 bonds (distance) P-C4' energy: -71.538 flat angles C4'-P-C4' energy: -89.582 flat angles P-C4'-P energy: -50.032 tors. eta vs tors. theta energy: -91.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1222.178021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.178021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.178021 (E_RNA) where: Base-Base interactions energy: -862.122 where: short stacking energy: -385.199 Base-Backbone interact. energy: -2.701 local terms energy: -357.355542 where: bonds (distance) C4'-P energy: -69.624 bonds (distance) P-C4' energy: -75.466 flat angles C4'-P-C4' energy: -73.872 flat angles P-C4'-P energy: -42.050 tors. eta vs tors. theta energy: -96.344 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: 28 Temperature: 1.350000 Total energy: -832.674914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.674914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.674914 (E_RNA) where: Base-Base interactions energy: -531.752 where: short stacking energy: -267.741 Base-Backbone interact. energy: 2.349 local terms energy: -303.272336 where: bonds (distance) C4'-P energy: -69.443 bonds (distance) P-C4' energy: -77.025 flat angles C4'-P-C4' energy: -73.405 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -35.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1662.930468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.930468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.930468 (E_RNA) where: Base-Base interactions energy: -1192.561 where: short stacking energy: -515.651 Base-Backbone interact. energy: -2.037 local terms energy: -468.332242 where: bonds (distance) C4'-P energy: -94.266 bonds (distance) P-C4' energy: -94.212 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -57.450 tors. eta vs tors. theta energy: -124.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1625.969967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.969967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.969967 (E_RNA) where: Base-Base interactions energy: -1145.988 where: short stacking energy: -517.475 Base-Backbone interact. energy: 2.121 local terms energy: -482.102995 where: bonds (distance) C4'-P energy: -91.421 bonds (distance) P-C4' energy: -99.436 flat angles C4'-P-C4' energy: -105.736 flat angles P-C4'-P energy: -61.659 tors. eta vs tors. theta energy: -123.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1565.577158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.577158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.577158 (E_RNA) where: Base-Base interactions energy: -1100.709 where: short stacking energy: -497.260 Base-Backbone interact. energy: -1.111 local terms energy: -463.757025 where: bonds (distance) C4'-P energy: -89.636 bonds (distance) P-C4' energy: -95.230 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -111.678 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: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1534.632921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.632921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.632921 (E_RNA) where: Base-Base interactions energy: -1114.141 where: short stacking energy: -493.883 Base-Backbone interact. energy: -0.536 local terms energy: -419.955871 where: bonds (distance) C4'-P energy: -80.235 bonds (distance) P-C4' energy: -78.778 flat angles C4'-P-C4' energy: -100.587 flat angles P-C4'-P energy: -53.628 tors. eta vs tors. theta energy: -106.727 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: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1453.714739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.714739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.714739 (E_RNA) where: Base-Base interactions energy: -1043.924 where: short stacking energy: -502.798 Base-Backbone interact. energy: -2.271 local terms energy: -407.518940 where: bonds (distance) C4'-P energy: -81.414 bonds (distance) P-C4' energy: -63.664 flat angles C4'-P-C4' energy: -88.382 flat angles P-C4'-P energy: -56.013 tors. eta vs tors. theta energy: -118.046 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: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1410.046203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.046203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.046203 (E_RNA) where: Base-Base interactions energy: -984.371 where: short stacking energy: -430.440 Base-Backbone interact. energy: -0.247 local terms energy: -425.428030 where: bonds (distance) C4'-P energy: -89.539 bonds (distance) P-C4' energy: -89.055 flat angles C4'-P-C4' energy: -91.433 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -96.451 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: 29 Temperature: 1.200000 Total energy: -1257.968438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.968438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.968438 (E_RNA) where: Base-Base interactions energy: -864.391 where: short stacking energy: -413.209 Base-Backbone interact. energy: -2.566 local terms energy: -391.011544 where: bonds (distance) C4'-P energy: -84.936 bonds (distance) P-C4' energy: -68.120 flat angles C4'-P-C4' energy: -97.353 flat angles P-C4'-P energy: -50.417 tors. eta vs tors. theta energy: -90.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1262.340223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.340223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.340223 (E_RNA) where: Base-Base interactions energy: -864.143 where: short stacking energy: -435.405 Base-Backbone interact. energy: -2.326 local terms energy: -395.871184 where: bonds (distance) C4'-P energy: -60.734 bonds (distance) P-C4' energy: -85.414 flat angles C4'-P-C4' energy: -92.128 flat angles P-C4'-P energy: -46.288 tors. eta vs tors. theta energy: -111.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1120.662141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.662141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.662141 (E_RNA) where: Base-Base interactions energy: -742.149 where: short stacking energy: -347.830 Base-Backbone interact. energy: -1.641 local terms energy: -376.872126 where: bonds (distance) C4'-P energy: -78.663 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -81.704 flat angles P-C4'-P energy: -48.249 tors. eta vs tors. theta energy: -73.152 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: 29 Temperature: 1.350000 Total energy: -824.157400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.157400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.157400 (E_RNA) where: Base-Base interactions energy: -540.135 where: short stacking energy: -298.924 Base-Backbone interact. energy: 1.990 local terms energy: -286.012534 where: bonds (distance) C4'-P energy: -60.224 bonds (distance) P-C4' energy: -83.722 flat angles C4'-P-C4' energy: -71.246 flat angles P-C4'-P energy: -24.187 tors. eta vs tors. theta energy: -46.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1691.272636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.272636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.272636 (E_RNA) where: Base-Base interactions energy: -1194.520 where: short stacking energy: -562.404 Base-Backbone interact. energy: -2.199 local terms energy: -494.553180 where: bonds (distance) C4'-P energy: -98.633 bonds (distance) P-C4' energy: -94.178 flat angles C4'-P-C4' energy: -102.781 flat angles P-C4'-P energy: -69.941 tors. eta vs tors. theta energy: -129.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1641.728407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.728407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.728407 (E_RNA) where: Base-Base interactions energy: -1145.947 where: short stacking energy: -516.988 Base-Backbone interact. energy: -2.357 local terms energy: -493.425352 where: bonds (distance) C4'-P energy: -92.157 bonds (distance) P-C4' energy: -101.767 flat angles C4'-P-C4' energy: -109.678 flat angles P-C4'-P energy: -61.880 tors. eta vs tors. theta energy: -127.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1589.232238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.232238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.232238 (E_RNA) where: Base-Base interactions energy: -1142.950 where: short stacking energy: -528.153 Base-Backbone interact. energy: -2.030 local terms energy: -444.252863 where: bonds (distance) C4'-P energy: -81.856 bonds (distance) P-C4' energy: -79.176 flat angles C4'-P-C4' energy: -102.675 flat angles P-C4'-P energy: -62.127 tors. eta vs tors. theta energy: -118.419 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: 8 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1527.474473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.474473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.474473 (E_RNA) where: Base-Base interactions energy: -1055.159 where: short stacking energy: -490.505 Base-Backbone interact. energy: -4.346 local terms energy: -467.969719 where: bonds (distance) C4'-P energy: -102.742 bonds (distance) P-C4' energy: -84.359 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -69.730 tors. eta vs tors. theta energy: -115.936 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: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1443.655608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.655608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.655608 (E_RNA) where: Base-Base interactions energy: -996.203 where: short stacking energy: -444.938 Base-Backbone interact. energy: 2.032 local terms energy: -449.484518 where: bonds (distance) C4'-P energy: -86.946 bonds (distance) P-C4' energy: -91.886 flat angles C4'-P-C4' energy: -93.091 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -115.599 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: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1412.537882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.537882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.537882 (E_RNA) where: Base-Base interactions energy: -990.989 where: short stacking energy: -432.764 Base-Backbone interact. energy: -0.892 local terms energy: -420.656948 where: bonds (distance) C4'-P energy: -74.891 bonds (distance) P-C4' energy: -89.907 flat angles C4'-P-C4' energy: -91.172 flat angles P-C4'-P energy: -57.250 tors. eta vs tors. theta energy: -107.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1354.797736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.797736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.797736 (E_RNA) where: Base-Base interactions energy: -964.197 where: short stacking energy: -433.203 Base-Backbone interact. energy: -1.649 local terms energy: -388.952016 where: bonds (distance) C4'-P energy: -69.159 bonds (distance) P-C4' energy: -59.936 flat angles C4'-P-C4' energy: -100.230 flat angles P-C4'-P energy: -63.928 tors. eta vs tors. theta energy: -95.698 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: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1234.225675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.225675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.225675 (E_RNA) where: Base-Base interactions energy: -860.132 where: short stacking energy: -416.750 Base-Backbone interact. energy: -1.674 local terms energy: -372.419514 where: bonds (distance) C4'-P energy: -86.903 bonds (distance) P-C4' energy: -78.607 flat angles C4'-P-C4' energy: -87.205 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: -83.459 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: 9, replica: 2 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1183.835685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.835685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.835685 (E_RNA) where: Base-Base interactions energy: -792.989 where: short stacking energy: -391.185 Base-Backbone interact. energy: -0.033 local terms energy: -390.814603 where: bonds (distance) C4'-P energy: -70.122 bonds (distance) P-C4' energy: -83.854 flat angles C4'-P-C4' energy: -95.866 flat angles P-C4'-P energy: -49.842 tors. eta vs tors. theta energy: -91.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -799.354844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.354844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.354844 (E_RNA) where: Base-Base interactions energy: -504.587 where: short stacking energy: -284.308 Base-Backbone interact. energy: -1.040 local terms energy: -293.727063 where: bonds (distance) C4'-P energy: -64.421 bonds (distance) P-C4' energy: -88.187 flat angles C4'-P-C4' energy: -79.548 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -21.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1686.676946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.676946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.676946 (E_RNA) where: Base-Base interactions energy: -1178.914 where: short stacking energy: -527.462 Base-Backbone interact. energy: -1.686 local terms energy: -506.076378 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -96.052 flat angles C4'-P-C4' energy: -115.559 flat angles P-C4'-P energy: -65.230 tors. eta vs tors. theta energy: -126.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1647.913558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.913558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.913558 (E_RNA) where: Base-Base interactions energy: -1181.504 where: short stacking energy: -539.043 Base-Backbone interact. energy: 3.283 local terms energy: -469.692956 where: bonds (distance) C4'-P energy: -75.453 bonds (distance) P-C4' energy: -97.108 flat angles C4'-P-C4' energy: -104.155 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: -125.362 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: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1593.651490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.651490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.651490 (E_RNA) where: Base-Base interactions energy: -1130.134 where: short stacking energy: -500.267 Base-Backbone interact. energy: -1.091 local terms energy: -462.426475 where: bonds (distance) C4'-P energy: -91.072 bonds (distance) P-C4' energy: -97.221 flat angles C4'-P-C4' energy: -92.505 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -110.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1496.370870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.370870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.370870 (E_RNA) where: Base-Base interactions energy: -1053.957 where: short stacking energy: -477.996 Base-Backbone interact. energy: -4.568 local terms energy: -437.845433 where: bonds (distance) C4'-P energy: -86.483 bonds (distance) P-C4' energy: -92.670 flat angles C4'-P-C4' energy: -100.550 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: -112.192 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: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1437.183292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.183292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.183292 (E_RNA) where: Base-Base interactions energy: -1006.517 where: short stacking energy: -460.333 Base-Backbone interact. energy: -1.289 local terms energy: -429.376744 where: bonds (distance) C4'-P energy: -85.886 bonds (distance) P-C4' energy: -71.810 flat angles C4'-P-C4' energy: -104.817 flat angles P-C4'-P energy: -54.342 tors. eta vs tors. theta energy: -112.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1451.668245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.668245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.668245 (E_RNA) where: Base-Base interactions energy: -1030.748 where: short stacking energy: -476.783 Base-Backbone interact. energy: -2.325 local terms energy: -418.595546 where: bonds (distance) C4'-P energy: -78.250 bonds (distance) P-C4' energy: -76.473 flat angles C4'-P-C4' energy: -99.374 flat angles P-C4'-P energy: -50.298 tors. eta vs tors. theta energy: -114.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1401.963972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.963972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.963972 (E_RNA) where: Base-Base interactions energy: -980.847 where: short stacking energy: -434.286 Base-Backbone interact. energy: -0.224 local terms energy: -420.893153 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -83.612 flat angles C4'-P-C4' energy: -88.728 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -105.529 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: 31 Temperature: 1.250000 Total energy: -1241.538710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.538710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.538710 (E_RNA) where: Base-Base interactions energy: -840.144 where: short stacking energy: -410.779 Base-Backbone interact. energy: -2.772 local terms energy: -398.622280 where: bonds (distance) C4'-P energy: -84.515 bonds (distance) P-C4' energy: -92.929 flat angles C4'-P-C4' energy: -83.467 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -88.519 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: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1124.099863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.099863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.099863 (E_RNA) where: Base-Base interactions energy: -817.832 where: short stacking energy: -342.137 Base-Backbone interact. energy: -1.828 local terms energy: -304.440042 where: bonds (distance) C4'-P energy: -48.209 bonds (distance) P-C4' energy: -65.876 flat angles C4'-P-C4' energy: -83.043 flat angles P-C4'-P energy: -41.034 tors. eta vs tors. theta energy: -66.279 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: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -779.110756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.110756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.110756 (E_RNA) where: Base-Base interactions energy: -488.945 where: short stacking energy: -270.240 Base-Backbone interact. energy: 2.096 local terms energy: -292.261320 where: bonds (distance) C4'-P energy: -67.232 bonds (distance) P-C4' energy: -63.947 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -52.590 tors. eta vs tors. theta energy: -32.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1697.152972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.152972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.152972 (E_RNA) where: Base-Base interactions energy: -1205.909 where: short stacking energy: -542.230 Base-Backbone interact. energy: -2.983 local terms energy: -488.260287 where: bonds (distance) C4'-P energy: -100.834 bonds (distance) P-C4' energy: -91.828 flat angles C4'-P-C4' energy: -101.306 flat angles P-C4'-P energy: -70.544 tors. eta vs tors. theta energy: -123.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1607.875401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.875401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.875401 (E_RNA) where: Base-Base interactions energy: -1144.130 where: short stacking energy: -509.521 Base-Backbone interact. energy: -0.651 local terms energy: -463.094341 where: bonds (distance) C4'-P energy: -83.698 bonds (distance) P-C4' energy: -94.188 flat angles C4'-P-C4' energy: -99.125 flat angles P-C4'-P energy: -60.471 tors. eta vs tors. theta energy: -125.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1602.360885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.360885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.360885 (E_RNA) where: Base-Base interactions energy: -1131.499 where: short stacking energy: -520.581 Base-Backbone interact. energy: -3.151 local terms energy: -467.711214 where: bonds (distance) C4'-P energy: -85.535 bonds (distance) P-C4' energy: -94.507 flat angles C4'-P-C4' energy: -92.857 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -123.539 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: 32 Temperature: 1.050000 Total energy: -1491.290633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.290633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.290633 (E_RNA) where: Base-Base interactions energy: -1069.627 where: short stacking energy: -486.608 Base-Backbone interact. energy: 0.365 local terms energy: -422.027896 where: bonds (distance) C4'-P energy: -71.208 bonds (distance) P-C4' energy: -94.015 flat angles C4'-P-C4' energy: -89.082 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -112.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1488.627304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.627304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.627304 (E_RNA) where: Base-Base interactions energy: -1017.436 where: short stacking energy: -445.023 Base-Backbone interact. energy: -1.871 local terms energy: -469.320351 where: bonds (distance) C4'-P energy: -97.157 bonds (distance) P-C4' energy: -86.428 flat angles C4'-P-C4' energy: -102.431 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -115.849 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: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1476.857640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.857640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.857640 (E_RNA) where: Base-Base interactions energy: -1049.230 where: short stacking energy: -453.822 Base-Backbone interact. energy: 4.890 local terms energy: -432.517637 where: bonds (distance) C4'-P energy: -80.062 bonds (distance) P-C4' energy: -77.967 flat angles C4'-P-C4' energy: -86.979 flat angles P-C4'-P energy: -69.557 tors. eta vs tors. theta energy: -117.952 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: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1422.681705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.681705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.681705 (E_RNA) where: Base-Base interactions energy: -1017.791 where: short stacking energy: -459.416 Base-Backbone interact. energy: 1.003 local terms energy: -405.894154 where: bonds (distance) C4'-P energy: -87.217 bonds (distance) P-C4' energy: -69.947 flat angles C4'-P-C4' energy: -95.515 flat angles P-C4'-P energy: -31.027 tors. eta vs tors. theta energy: -122.188 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: 32 Temperature: 1.250000 Total energy: -1306.867837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.867837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.867837 (E_RNA) where: Base-Base interactions energy: -910.539 where: short stacking energy: -431.197 Base-Backbone interact. energy: 0.205 local terms energy: -396.534560 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -76.957 flat angles C4'-P-C4' energy: -94.715 flat angles P-C4'-P energy: -58.305 tors. eta vs tors. theta energy: -101.525 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: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1065.865553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.865553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.865553 (E_RNA) where: Base-Base interactions energy: -729.855 where: short stacking energy: -336.976 Base-Backbone interact. energy: -2.117 local terms energy: -333.893824 where: bonds (distance) C4'-P energy: -75.153 bonds (distance) P-C4' energy: -75.782 flat angles C4'-P-C4' energy: -73.753 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: -71.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -837.123120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.123120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.123120 (E_RNA) where: Base-Base interactions energy: -514.343 where: short stacking energy: -286.256 Base-Backbone interact. energy: -1.224 local terms energy: -321.556070 where: bonds (distance) C4'-P energy: -70.955 bonds (distance) P-C4' energy: -75.987 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -54.923 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: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1708.085454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.085454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.085454 (E_RNA) where: Base-Base interactions energy: -1210.180 where: short stacking energy: -538.994 Base-Backbone interact. energy: 0.183 local terms energy: -498.088928 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -100.335 flat angles C4'-P-C4' energy: -102.248 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -125.177 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: 33 Temperature: 0.950000 Total energy: -1605.254023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.254023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.254023 (E_RNA) where: Base-Base interactions energy: -1132.599 where: short stacking energy: -514.865 Base-Backbone interact. energy: 1.259 local terms energy: -473.913556 where: bonds (distance) C4'-P energy: -85.580 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -108.538 flat angles P-C4'-P energy: -61.359 tors. eta vs tors. theta energy: -128.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1586.613551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.613551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.613551 (E_RNA) where: Base-Base interactions energy: -1122.875 where: short stacking energy: -499.806 Base-Backbone interact. energy: -2.281 local terms energy: -461.456721 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -94.260 flat angles C4'-P-C4' energy: -94.040 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -117.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1525.143054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.143054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.143054 (E_RNA) where: Base-Base interactions energy: -1089.792 where: short stacking energy: -483.209 Base-Backbone interact. energy: -0.102 local terms energy: -435.248296 where: bonds (distance) C4'-P energy: -86.346 bonds (distance) P-C4' energy: -80.733 flat angles C4'-P-C4' energy: -96.821 flat angles P-C4'-P energy: -55.482 tors. eta vs tors. theta energy: -115.865 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: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1492.366396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.366396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.366396 (E_RNA) where: Base-Base interactions energy: -1015.866 where: short stacking energy: -466.134 Base-Backbone interact. energy: -0.483 local terms energy: -476.017613 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -98.256 flat angles C4'-P-C4' energy: -113.111 flat angles P-C4'-P energy: -65.056 tors. eta vs tors. theta energy: -111.115 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: 33 Temperature: 1.150000 Total energy: -1443.636171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.636171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.636171 (E_RNA) where: Base-Base interactions energy: -1004.777 where: short stacking energy: -459.261 Base-Backbone interact. energy: 1.112 local terms energy: -439.971032 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -88.719 flat angles C4'-P-C4' energy: -89.895 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -119.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1427.506267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.506267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.506267 (E_RNA) where: Base-Base interactions energy: -1004.991 where: short stacking energy: -456.768 Base-Backbone interact. energy: -2.345 local terms energy: -420.170862 where: bonds (distance) C4'-P energy: -91.778 bonds (distance) P-C4' energy: -81.097 flat angles C4'-P-C4' energy: -86.512 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -110.696 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: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1301.381019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.381019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.381019 (E_RNA) where: Base-Base interactions energy: -885.472 where: short stacking energy: -433.423 Base-Backbone interact. energy: -2.041 local terms energy: -413.868690 where: bonds (distance) C4'-P energy: -86.368 bonds (distance) P-C4' energy: -76.571 flat angles C4'-P-C4' energy: -86.714 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -102.407 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: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1061.681549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.681549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.681549 (E_RNA) where: Base-Base interactions energy: -729.183 where: short stacking energy: -335.137 Base-Backbone interact. energy: -0.951 local terms energy: -331.547513 where: bonds (distance) C4'-P energy: -57.067 bonds (distance) P-C4' energy: -70.837 flat angles C4'-P-C4' energy: -88.175 flat angles P-C4'-P energy: -48.339 tors. eta vs tors. theta energy: -67.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -876.211319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.211319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.211319 (E_RNA) where: Base-Base interactions energy: -539.930 where: short stacking energy: -289.001 Base-Backbone interact. energy: -1.740 local terms energy: -334.541009 where: bonds (distance) C4'-P energy: -62.931 bonds (distance) P-C4' energy: -75.695 flat angles C4'-P-C4' energy: -93.309 flat angles P-C4'-P energy: -39.807 tors. eta vs tors. theta energy: -62.799 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: 34 Temperature: 0.900000 Total energy: -1710.270573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.270573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.270573 (E_RNA) where: Base-Base interactions energy: -1228.180 where: short stacking energy: -541.266 Base-Backbone interact. energy: -1.138 local terms energy: -480.951977 where: bonds (distance) C4'-P energy: -88.253 bonds (distance) P-C4' energy: -89.647 flat angles C4'-P-C4' energy: -95.334 flat angles P-C4'-P energy: -80.071 tors. eta vs tors. theta energy: -127.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1609.639493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.639493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.639493 (E_RNA) where: Base-Base interactions energy: -1138.201 where: short stacking energy: -531.218 Base-Backbone interact. energy: -0.714 local terms energy: -470.724309 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -104.102 flat angles P-C4'-P energy: -66.812 tors. eta vs tors. theta energy: -120.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1568.475500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.475500 (E_RNA) where: Base-Base interactions energy: -1103.021 where: short stacking energy: -501.552 Base-Backbone interact. energy: -5.465 local terms energy: -459.990275 where: bonds (distance) C4'-P energy: -93.465 bonds (distance) P-C4' energy: -81.722 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -63.939 tors. eta vs tors. theta energy: -113.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1500.696836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.696836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.696836 (E_RNA) where: Base-Base interactions energy: -1052.579 where: short stacking energy: -464.681 Base-Backbone interact. energy: -0.405 local terms energy: -447.712517 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -103.053 flat angles P-C4'-P energy: -57.424 tors. eta vs tors. theta energy: -109.251 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: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1508.727563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.727563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.727563 (E_RNA) where: Base-Base interactions energy: -1055.006 where: short stacking energy: -475.900 Base-Backbone interact. energy: -0.931 local terms energy: -452.790674 where: bonds (distance) C4'-P energy: -95.100 bonds (distance) P-C4' energy: -82.641 flat angles C4'-P-C4' energy: -95.800 flat angles P-C4'-P energy: -60.425 tors. eta vs tors. theta energy: -118.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1398.548037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.548037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.548037 (E_RNA) where: Base-Base interactions energy: -990.068 where: short stacking energy: -437.703 Base-Backbone interact. energy: -0.972 local terms energy: -407.508352 where: bonds (distance) C4'-P energy: -95.918 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -88.769 flat angles P-C4'-P energy: -56.067 tors. eta vs tors. theta energy: -104.732 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: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1452.230701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.230701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.230701 (E_RNA) where: Base-Base interactions energy: -1019.333 where: short stacking energy: -454.180 Base-Backbone interact. energy: -3.813 local terms energy: -429.084343 where: bonds (distance) C4'-P energy: -92.860 bonds (distance) P-C4' energy: -78.057 flat angles C4'-P-C4' energy: -99.927 flat angles P-C4'-P energy: -47.196 tors. eta vs tors. theta energy: -111.045 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: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1358.626514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.626514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.626514 (E_RNA) where: Base-Base interactions energy: -939.701 where: short stacking energy: -480.596 Base-Backbone interact. energy: -4.684 local terms energy: -414.241486 where: bonds (distance) C4'-P energy: -64.574 bonds (distance) P-C4' energy: -70.002 flat angles C4'-P-C4' energy: -101.707 flat angles P-C4'-P energy: -55.560 tors. eta vs tors. theta energy: -122.399 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: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1039.211073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.211073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.211073 (E_RNA) where: Base-Base interactions energy: -704.898 where: short stacking energy: -302.316 Base-Backbone interact. energy: -0.305 local terms energy: -334.008038 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -83.009 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -50.361 tors. eta vs tors. theta energy: -50.216 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: 3 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -863.152105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.152105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.152105 (E_RNA) where: Base-Base interactions energy: -524.914 where: short stacking energy: -283.861 Base-Backbone interact. energy: 0.731 local terms energy: -338.969439 where: bonds (distance) C4'-P energy: -79.553 bonds (distance) P-C4' energy: -82.825 flat angles C4'-P-C4' energy: -74.178 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -51.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1716.787238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.787238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.787238 (E_RNA) where: Base-Base interactions energy: -1233.099 where: short stacking energy: -541.545 Base-Backbone interact. energy: 6.060 local terms energy: -489.747762 where: bonds (distance) C4'-P energy: -89.769 bonds (distance) P-C4' energy: -98.524 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -66.542 tors. eta vs tors. theta energy: -124.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1641.497969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.497969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.497969 (E_RNA) where: Base-Base interactions energy: -1163.732 where: short stacking energy: -541.198 Base-Backbone interact. energy: -3.196 local terms energy: -474.569967 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -86.967 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -67.649 tors. eta vs tors. theta energy: -126.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1583.926989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.926989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.926989 (E_RNA) where: Base-Base interactions energy: -1124.418 where: short stacking energy: -483.010 Base-Backbone interact. energy: -0.580 local terms energy: -458.928927 where: bonds (distance) C4'-P energy: -83.481 bonds (distance) P-C4' energy: -91.943 flat angles C4'-P-C4' energy: -103.282 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -112.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1611.311424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.311424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.311424 (E_RNA) where: Base-Base interactions energy: -1130.887 where: short stacking energy: -504.633 Base-Backbone interact. energy: -0.863 local terms energy: -479.562066 where: bonds (distance) C4'-P energy: -98.442 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -109.731 flat angles P-C4'-P energy: -60.950 tors. eta vs tors. theta energy: -124.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1424.216020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.216020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.216020 (E_RNA) where: Base-Base interactions energy: -1034.826 where: short stacking energy: -448.845 Base-Backbone interact. energy: 8.522 local terms energy: -397.912359 where: bonds (distance) C4'-P energy: -72.698 bonds (distance) P-C4' energy: -68.304 flat angles C4'-P-C4' energy: -96.847 flat angles P-C4'-P energy: -55.193 tors. eta vs tors. theta energy: -104.870 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: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1498.219983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.219983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.219983 (E_RNA) where: Base-Base interactions energy: -1055.803 where: short stacking energy: -475.024 Base-Backbone interact. energy: -1.840 local terms energy: -440.576103 where: bonds (distance) C4'-P energy: -80.972 bonds (distance) P-C4' energy: -84.334 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -127.850 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1373.813283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.813283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.813283 (E_RNA) where: Base-Base interactions energy: -982.049 where: short stacking energy: -423.255 Base-Backbone interact. energy: -4.245 local terms energy: -387.519757 where: bonds (distance) C4'-P energy: -63.372 bonds (distance) P-C4' energy: -83.256 flat angles C4'-P-C4' energy: -98.653 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -96.664 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: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1307.340558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.340558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.340558 (E_RNA) where: Base-Base interactions energy: -915.243 where: short stacking energy: -420.610 Base-Backbone interact. energy: 0.780 local terms energy: -392.878150 where: bonds (distance) C4'-P energy: -73.626 bonds (distance) P-C4' energy: -82.059 flat angles C4'-P-C4' energy: -85.693 flat angles P-C4'-P energy: -49.822 tors. eta vs tors. theta energy: -101.678 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: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1094.861873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.861873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.861873 (E_RNA) where: Base-Base interactions energy: -752.339 where: short stacking energy: -377.146 Base-Backbone interact. energy: 5.326 local terms energy: -347.849383 where: bonds (distance) C4'-P energy: -71.526 bonds (distance) P-C4' energy: -81.250 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: -82.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -893.981175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.981175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.981175 (E_RNA) where: Base-Base interactions energy: -559.394 where: short stacking energy: -285.498 Base-Backbone interact. energy: -1.884 local terms energy: -332.702506 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -79.452 flat angles C4'-P-C4' energy: -84.706 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: -51.352 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: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1695.013180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.013180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.013180 (E_RNA) where: Base-Base interactions energy: -1186.949 where: short stacking energy: -528.327 Base-Backbone interact. energy: -4.574 local terms energy: -503.489521 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -99.873 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -129.301 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: 36 Temperature: 0.950000 Total energy: -1636.340603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.340603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.340603 (E_RNA) where: Base-Base interactions energy: -1154.191 where: short stacking energy: -514.932 Base-Backbone interact. energy: -2.545 local terms energy: -479.604936 where: bonds (distance) C4'-P energy: -87.571 bonds (distance) P-C4' energy: -86.061 flat angles C4'-P-C4' energy: -107.874 flat angles P-C4'-P energy: -69.437 tors. eta vs tors. theta energy: -128.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1634.645088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.645088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.645088 (E_RNA) where: Base-Base interactions energy: -1145.976 where: short stacking energy: -504.161 Base-Backbone interact. energy: -1.638 local terms energy: -487.030839 where: bonds (distance) C4'-P energy: -93.108 bonds (distance) P-C4' energy: -90.309 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -128.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1517.432011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.432011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.432011 (E_RNA) where: Base-Base interactions energy: -1095.813 where: short stacking energy: -467.331 Base-Backbone interact. energy: -2.762 local terms energy: -418.857680 where: bonds (distance) C4'-P energy: -83.436 bonds (distance) P-C4' energy: -85.351 flat angles C4'-P-C4' energy: -90.239 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -106.429 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: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1534.845271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.845271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.845271 (E_RNA) where: Base-Base interactions energy: -1092.402 where: short stacking energy: -518.775 Base-Backbone interact. energy: -2.953 local terms energy: -439.490433 where: bonds (distance) C4'-P energy: -82.370 bonds (distance) P-C4' energy: -68.228 flat angles C4'-P-C4' energy: -102.489 flat angles P-C4'-P energy: -55.789 tors. eta vs tors. theta energy: -130.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1409.546665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.546665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.546665 (E_RNA) where: Base-Base interactions energy: -1031.509 where: short stacking energy: -457.778 Base-Backbone interact. energy: 0.112 local terms energy: -378.149543 where: bonds (distance) C4'-P energy: -69.938 bonds (distance) P-C4' energy: -70.029 flat angles C4'-P-C4' energy: -95.144 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -90.561 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: 36 Temperature: 1.200000 Total energy: -1368.432062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.432062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.432062 (E_RNA) where: Base-Base interactions energy: -966.439 where: short stacking energy: -438.919 Base-Backbone interact. energy: 0.216 local terms energy: -402.209091 where: bonds (distance) C4'-P energy: -78.648 bonds (distance) P-C4' energy: -84.017 flat angles C4'-P-C4' energy: -90.040 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: -102.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1300.739327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.739327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.739327 (E_RNA) where: Base-Base interactions energy: -897.836 where: short stacking energy: -435.989 Base-Backbone interact. energy: -1.812 local terms energy: -401.091179 where: bonds (distance) C4'-P energy: -70.175 bonds (distance) P-C4' energy: -81.006 flat angles C4'-P-C4' energy: -92.676 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -107.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1067.494436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.494436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.494436 (E_RNA) where: Base-Base interactions energy: -711.610 where: short stacking energy: -361.695 Base-Backbone interact. energy: 4.200 local terms energy: -360.083768 where: bonds (distance) C4'-P energy: -68.415 bonds (distance) P-C4' energy: -78.887 flat angles C4'-P-C4' energy: -87.584 flat angles P-C4'-P energy: -49.434 tors. eta vs tors. theta energy: -75.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -786.296089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.296089 (E_RNA) where: Base-Base interactions energy: -474.654 where: short stacking energy: -267.329 Base-Backbone interact. energy: -0.450 local terms energy: -311.192260 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -70.252 flat angles C4'-P-C4' energy: -77.655 flat angles P-C4'-P energy: -42.359 tors. eta vs tors. theta energy: -40.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1732.608245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.608245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.608245 (E_RNA) where: Base-Base interactions energy: -1219.852 where: short stacking energy: -573.820 Base-Backbone interact. energy: -1.484 local terms energy: -511.272577 where: bonds (distance) C4'-P energy: -93.857 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -106.970 flat angles P-C4'-P energy: -81.739 tors. eta vs tors. theta energy: -131.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1666.702377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.702377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.702377 (E_RNA) where: Base-Base interactions energy: -1185.970 where: short stacking energy: -539.044 Base-Backbone interact. energy: -2.246 local terms energy: -478.486415 where: bonds (distance) C4'-P energy: -88.635 bonds (distance) P-C4' energy: -80.505 flat angles C4'-P-C4' energy: -96.946 flat angles P-C4'-P energy: -74.776 tors. eta vs tors. theta energy: -137.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1593.875001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.875001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.875001 (E_RNA) where: Base-Base interactions energy: -1131.729 where: short stacking energy: -510.859 Base-Backbone interact. energy: 1.544 local terms energy: -463.689348 where: bonds (distance) C4'-P energy: -78.216 bonds (distance) P-C4' energy: -92.331 flat angles C4'-P-C4' energy: -106.250 flat angles P-C4'-P energy: -68.175 tors. eta vs tors. theta energy: -118.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1525.547308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.547308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.547308 (E_RNA) where: Base-Base interactions energy: -1079.213 where: short stacking energy: -486.576 Base-Backbone interact. energy: 3.470 local terms energy: -449.803907 where: bonds (distance) C4'-P energy: -81.831 bonds (distance) P-C4' energy: -89.013 flat angles C4'-P-C4' energy: -96.997 flat angles P-C4'-P energy: -73.816 tors. eta vs tors. theta energy: -108.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1532.848281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.848281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.848281 (E_RNA) where: Base-Base interactions energy: -1086.396 where: short stacking energy: -509.307 Base-Backbone interact. energy: -0.921 local terms energy: -445.531537 where: bonds (distance) C4'-P energy: -85.307 bonds (distance) P-C4' energy: -66.648 flat angles C4'-P-C4' energy: -104.192 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -123.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1430.090177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.090177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.090177 (E_RNA) where: Base-Base interactions energy: -1003.284 where: short stacking energy: -461.509 Base-Backbone interact. energy: -0.486 local terms energy: -426.320285 where: bonds (distance) C4'-P energy: -74.012 bonds (distance) P-C4' energy: -77.408 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -69.303 tors. eta vs tors. theta energy: -112.468 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: 37 Temperature: 1.200000 Total energy: -1359.208916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.208916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.208916 (E_RNA) where: Base-Base interactions energy: -973.168 where: short stacking energy: -419.309 Base-Backbone interact. energy: -2.579 local terms energy: -383.461515 where: bonds (distance) C4'-P energy: -74.623 bonds (distance) P-C4' energy: -68.163 flat angles C4'-P-C4' energy: -92.423 flat angles P-C4'-P energy: -45.896 tors. eta vs tors. theta energy: -102.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1301.501367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.501367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.501367 (E_RNA) where: Base-Base interactions energy: -928.589 where: short stacking energy: -430.804 Base-Backbone interact. energy: -1.008 local terms energy: -371.903456 where: bonds (distance) C4'-P energy: -68.559 bonds (distance) P-C4' energy: -62.520 flat angles C4'-P-C4' energy: -78.568 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -106.802 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: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1072.162452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.162452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.162452 (E_RNA) where: Base-Base interactions energy: -709.757 where: short stacking energy: -355.011 Base-Backbone interact. energy: 3.223 local terms energy: -365.628372 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -82.572 flat angles C4'-P-C4' energy: -85.590 flat angles P-C4'-P energy: -53.238 tors. eta vs tors. theta energy: -86.494 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: 3 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -828.433837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.433837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.433837 (E_RNA) where: Base-Base interactions energy: -500.569 where: short stacking energy: -274.444 Base-Backbone interact. energy: 0.267 local terms energy: -328.131498 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -76.004 flat angles C4'-P-C4' energy: -85.905 flat angles P-C4'-P energy: -43.852 tors. eta vs tors. theta energy: -38.671 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: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1735.397854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.397854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.397854 (E_RNA) where: Base-Base interactions energy: -1221.711 where: short stacking energy: -550.069 Base-Backbone interact. energy: -2.186 local terms energy: -511.500599 where: bonds (distance) C4'-P energy: -95.337 bonds (distance) P-C4' energy: -99.613 flat angles C4'-P-C4' energy: -111.140 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: -134.536 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: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1696.140964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.140964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.140964 (E_RNA) where: Base-Base interactions energy: -1186.439 where: short stacking energy: -528.658 Base-Backbone interact. energy: -3.880 local terms energy: -505.822166 where: bonds (distance) C4'-P energy: -97.108 bonds (distance) P-C4' energy: -85.292 flat angles C4'-P-C4' energy: -115.545 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -139.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1615.624326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.624326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.624326 (E_RNA) where: Base-Base interactions energy: -1153.757 where: short stacking energy: -515.343 Base-Backbone interact. energy: 0.094 local terms energy: -461.962097 where: bonds (distance) C4'-P energy: -99.167 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -101.398 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -114.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1526.267989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.267989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.267989 (E_RNA) where: Base-Base interactions energy: -1095.587 where: short stacking energy: -491.076 Base-Backbone interact. energy: -2.160 local terms energy: -428.521009 where: bonds (distance) C4'-P energy: -73.294 bonds (distance) P-C4' energy: -90.867 flat angles C4'-P-C4' energy: -89.408 flat angles P-C4'-P energy: -63.817 tors. eta vs tors. theta energy: -111.134 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: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1554.279264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.279264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.279264 (E_RNA) where: Base-Base interactions energy: -1098.943 where: short stacking energy: -503.801 Base-Backbone interact. energy: -1.525 local terms energy: -453.811858 where: bonds (distance) C4'-P energy: -84.417 bonds (distance) P-C4' energy: -81.370 flat angles C4'-P-C4' energy: -102.910 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -125.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1453.532838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.532838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.532838 (E_RNA) where: Base-Base interactions energy: -1018.446 where: short stacking energy: -455.760 Base-Backbone interact. energy: -0.996 local terms energy: -434.091429 where: bonds (distance) C4'-P energy: -77.857 bonds (distance) P-C4' energy: -84.498 flat angles C4'-P-C4' energy: -89.457 flat angles P-C4'-P energy: -62.986 tors. eta vs tors. theta energy: -119.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1341.756715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.756715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.756715 (E_RNA) where: Base-Base interactions energy: -930.010 where: short stacking energy: -458.163 Base-Backbone interact. energy: -1.003 local terms energy: -410.743107 where: bonds (distance) C4'-P energy: -77.281 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -91.328 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -111.404 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: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1255.005061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.005061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.005061 (E_RNA) where: Base-Base interactions energy: -864.198 where: short stacking energy: -377.578 Base-Backbone interact. energy: 1.508 local terms energy: -392.314903 where: bonds (distance) C4'-P energy: -85.071 bonds (distance) P-C4' energy: -87.577 flat angles C4'-P-C4' energy: -80.144 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -86.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1040.094692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.094692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.094692 (E_RNA) where: Base-Base interactions energy: -721.694 where: short stacking energy: -343.778 Base-Backbone interact. energy: 4.244 local terms energy: -322.645348 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -68.858 flat angles P-C4'-P energy: -42.348 tors. eta vs tors. theta energy: -65.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -818.040736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.040736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.040736 (E_RNA) where: Base-Base interactions energy: -495.070 where: short stacking energy: -255.398 Base-Backbone interact. energy: 3.936 local terms energy: -326.906261 where: bonds (distance) C4'-P energy: -75.774 bonds (distance) P-C4' energy: -91.818 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -38.840 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: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1705.346895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.346895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.346895 (E_RNA) where: Base-Base interactions energy: -1195.472 where: short stacking energy: -555.308 Base-Backbone interact. energy: -0.198 local terms energy: -509.676713 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -98.446 flat angles C4'-P-C4' energy: -111.406 flat angles P-C4'-P energy: -73.332 tors. eta vs tors. theta energy: -133.382 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: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1698.493276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.493276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.493276 (E_RNA) where: Base-Base interactions energy: -1202.657 where: short stacking energy: -540.734 Base-Backbone interact. energy: -0.160 local terms energy: -495.676531 where: bonds (distance) C4'-P energy: -87.470 bonds (distance) P-C4' energy: -89.772 flat angles C4'-P-C4' energy: -108.665 flat angles P-C4'-P energy: -70.495 tors. eta vs tors. theta energy: -139.275 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: 39 Temperature: 1.000000 Total energy: -1607.040177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.040177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.040177 (E_RNA) where: Base-Base interactions energy: -1157.871 where: short stacking energy: -507.997 Base-Backbone interact. energy: -2.569 local terms energy: -446.600409 where: bonds (distance) C4'-P energy: -74.283 bonds (distance) P-C4' energy: -93.404 flat angles C4'-P-C4' energy: -105.454 flat angles P-C4'-P energy: -62.492 tors. eta vs tors. theta energy: -110.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1559.194564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.194564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.194564 (E_RNA) where: Base-Base interactions energy: -1089.872 where: short stacking energy: -522.288 Base-Backbone interact. energy: -2.062 local terms energy: -467.260623 where: bonds (distance) C4'-P energy: -81.835 bonds (distance) P-C4' energy: -84.356 flat angles C4'-P-C4' energy: -105.677 flat angles P-C4'-P energy: -56.423 tors. eta vs tors. theta energy: -138.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1482.647304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.647304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.647304 (E_RNA) where: Base-Base interactions energy: -1062.009 where: short stacking energy: -489.581 Base-Backbone interact. energy: 0.410 local terms energy: -421.048348 where: bonds (distance) C4'-P energy: -85.105 bonds (distance) P-C4' energy: -86.569 flat angles C4'-P-C4' energy: -90.933 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -106.879 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: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1470.128858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.128858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.128858 (E_RNA) where: Base-Base interactions energy: -1049.227 where: short stacking energy: -471.322 Base-Backbone interact. energy: -1.467 local terms energy: -419.435578 where: bonds (distance) C4'-P energy: -85.667 bonds (distance) P-C4' energy: -74.059 flat angles C4'-P-C4' energy: -95.228 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -110.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1374.823266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.823266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.823266 (E_RNA) where: Base-Base interactions energy: -945.447 where: short stacking energy: -465.919 Base-Backbone interact. energy: -0.913 local terms energy: -428.462909 where: bonds (distance) C4'-P energy: -83.035 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -88.475 flat angles P-C4'-P energy: -58.921 tors. eta vs tors. theta energy: -111.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1265.734024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.734024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.734024 (E_RNA) where: Base-Base interactions energy: -888.687 where: short stacking energy: -402.105 Base-Backbone interact. energy: -1.614 local terms energy: -375.433468 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -75.361 flat angles C4'-P-C4' energy: -87.561 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -81.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1096.703905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.703905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.703905 (E_RNA) where: Base-Base interactions energy: -728.180 where: short stacking energy: -346.252 Base-Backbone interact. energy: -1.812 local terms energy: -366.712731 where: bonds (distance) C4'-P energy: -67.003 bonds (distance) P-C4' energy: -98.902 flat angles C4'-P-C4' energy: -73.349 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -86.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -787.542843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.542843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.542843 (E_RNA) where: Base-Base interactions energy: -482.081 where: short stacking energy: -261.424 Base-Backbone interact. energy: -1.380 local terms energy: -304.081741 where: bonds (distance) C4'-P energy: -57.194 bonds (distance) P-C4' energy: -76.068 flat angles C4'-P-C4' energy: -83.839 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -38.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1704.062377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.062377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.062377 (E_RNA) where: Base-Base interactions energy: -1201.586 where: short stacking energy: -570.920 Base-Backbone interact. energy: -3.810 local terms energy: -498.666362 where: bonds (distance) C4'-P energy: -101.699 bonds (distance) P-C4' energy: -99.667 flat angles C4'-P-C4' energy: -105.050 flat angles P-C4'-P energy: -60.755 tors. eta vs tors. theta energy: -131.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1672.115264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.115264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.115264 (E_RNA) where: Base-Base interactions energy: -1205.826 where: short stacking energy: -529.165 Base-Backbone interact. energy: -1.194 local terms energy: -465.095382 where: bonds (distance) C4'-P energy: -98.274 bonds (distance) P-C4' energy: -79.743 flat angles C4'-P-C4' energy: -101.620 flat angles P-C4'-P energy: -54.149 tors. eta vs tors. theta energy: -131.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1606.223131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.223131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.223131 (E_RNA) where: Base-Base interactions energy: -1121.462 where: short stacking energy: -509.447 Base-Backbone interact. energy: -2.448 local terms energy: -482.313050 where: bonds (distance) C4'-P energy: -80.213 bonds (distance) P-C4' energy: -89.943 flat angles C4'-P-C4' energy: -101.584 flat angles P-C4'-P energy: -78.785 tors. eta vs tors. theta energy: -131.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1545.005574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.005574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.005574 (E_RNA) where: Base-Base interactions energy: -1112.364 where: short stacking energy: -490.651 Base-Backbone interact. energy: -2.287 local terms energy: -430.354329 where: bonds (distance) C4'-P energy: -87.010 bonds (distance) P-C4' energy: -85.004 flat angles C4'-P-C4' energy: -86.001 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: -120.549 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: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1464.925226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.925226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.925226 (E_RNA) where: Base-Base interactions energy: -1047.384 where: short stacking energy: -445.999 Base-Backbone interact. energy: -1.704 local terms energy: -415.837131 where: bonds (distance) C4'-P energy: -80.848 bonds (distance) P-C4' energy: -71.870 flat angles C4'-P-C4' energy: -103.913 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -106.686 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: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1439.641302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.641302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.641302 (E_RNA) where: Base-Base interactions energy: -1034.739 where: short stacking energy: -467.351 Base-Backbone interact. energy: -0.626 local terms energy: -404.275804 where: bonds (distance) C4'-P energy: -76.369 bonds (distance) P-C4' energy: -71.511 flat angles C4'-P-C4' energy: -94.675 flat angles P-C4'-P energy: -56.719 tors. eta vs tors. theta energy: -105.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1363.977476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.977476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.977476 (E_RNA) where: Base-Base interactions energy: -960.802 where: short stacking energy: -455.984 Base-Backbone interact. energy: -1.782 local terms energy: -401.393968 where: bonds (distance) C4'-P energy: -79.849 bonds (distance) P-C4' energy: -82.221 flat angles C4'-P-C4' energy: -84.624 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: -106.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1368.023740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.023740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.023740 (E_RNA) where: Base-Base interactions energy: -942.257 where: short stacking energy: -457.097 Base-Backbone interact. energy: -2.006 local terms energy: -423.760742 where: bonds (distance) C4'-P energy: -77.813 bonds (distance) P-C4' energy: -81.752 flat angles C4'-P-C4' energy: -77.988 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -122.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1112.536135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.536135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.536135 (E_RNA) where: Base-Base interactions energy: -733.284 where: short stacking energy: -372.938 Base-Backbone interact. energy: 1.048 local terms energy: -380.300296 where: bonds (distance) C4'-P energy: -75.650 bonds (distance) P-C4' energy: -75.921 flat angles C4'-P-C4' energy: -83.725 flat angles P-C4'-P energy: -59.050 tors. eta vs tors. theta energy: -85.954 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: 3 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -821.705952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.705952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.705952 (E_RNA) where: Base-Base interactions energy: -514.979 where: short stacking energy: -264.899 Base-Backbone interact. energy: -2.525 local terms energy: -304.201646 where: bonds (distance) C4'-P energy: -79.349 bonds (distance) P-C4' energy: -81.318 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: -32.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1695.677525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.677525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.677525 (E_RNA) where: Base-Base interactions energy: -1199.726 where: short stacking energy: -553.259 Base-Backbone interact. energy: -4.350 local terms energy: -491.601685 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -96.038 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -69.585 tors. eta vs tors. theta energy: -131.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1701.694672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.694672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.694672 (E_RNA) where: Base-Base interactions energy: -1201.575 where: short stacking energy: -555.276 Base-Backbone interact. energy: -1.858 local terms energy: -498.261318 where: bonds (distance) C4'-P energy: -107.002 bonds (distance) P-C4' energy: -92.288 flat angles C4'-P-C4' energy: -103.002 flat angles P-C4'-P energy: -67.894 tors. eta vs tors. theta energy: -128.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1603.769801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.769801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.769801 (E_RNA) where: Base-Base interactions energy: -1104.959 where: short stacking energy: -509.064 Base-Backbone interact. energy: -4.106 local terms energy: -494.704626 where: bonds (distance) C4'-P energy: -87.441 bonds (distance) P-C4' energy: -91.006 flat angles C4'-P-C4' energy: -110.000 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -133.570 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: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1597.730270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.730270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.730270 (E_RNA) where: Base-Base interactions energy: -1152.241 where: short stacking energy: -514.578 Base-Backbone interact. energy: -1.100 local terms energy: -444.389832 where: bonds (distance) C4'-P energy: -81.286 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -100.601 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: -115.768 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: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1543.358267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.358267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.358267 (E_RNA) where: Base-Base interactions energy: -1111.089 where: short stacking energy: -506.875 Base-Backbone interact. energy: -0.146 local terms energy: -432.122791 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -79.945 flat angles C4'-P-C4' energy: -101.068 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -112.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1428.370000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.370000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.370000 (E_RNA) where: Base-Base interactions energy: -999.111 where: short stacking energy: -461.090 Base-Backbone interact. energy: -2.287 local terms energy: -426.972262 where: bonds (distance) C4'-P energy: -73.801 bonds (distance) P-C4' energy: -86.004 flat angles C4'-P-C4' energy: -94.956 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -111.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1356.848381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.848381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.848381 (E_RNA) where: Base-Base interactions energy: -954.747 where: short stacking energy: -438.753 Base-Backbone interact. energy: 1.595 local terms energy: -403.696364 where: bonds (distance) C4'-P energy: -80.827 bonds (distance) P-C4' energy: -83.903 flat angles C4'-P-C4' energy: -90.058 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: -101.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1398.151096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.151096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.151096 (E_RNA) where: Base-Base interactions energy: -981.057 where: short stacking energy: -454.634 Base-Backbone interact. energy: -1.223 local terms energy: -415.870620 where: bonds (distance) C4'-P energy: -71.815 bonds (distance) P-C4' energy: -83.623 flat angles C4'-P-C4' energy: -93.714 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -115.901 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: 41 Temperature: 1.300000 Total energy: -1108.581233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.581233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.581233 (E_RNA) where: Base-Base interactions energy: -743.812 where: short stacking energy: -368.676 Base-Backbone interact. energy: -0.414 local terms energy: -364.355271 where: bonds (distance) C4'-P energy: -70.719 bonds (distance) P-C4' energy: -77.684 flat angles C4'-P-C4' energy: -72.906 flat angles P-C4'-P energy: -52.991 tors. eta vs tors. theta energy: -90.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -855.323665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.323665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.323665 (E_RNA) where: Base-Base interactions energy: -550.837 where: short stacking energy: -283.500 Base-Backbone interact. energy: -0.197 local terms energy: -304.289448 where: bonds (distance) C4'-P energy: -80.272 bonds (distance) P-C4' energy: -61.366 flat angles C4'-P-C4' energy: -76.856 flat angles P-C4'-P energy: -47.010 tors. eta vs tors. theta energy: -38.785 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: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1704.635817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.635817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.635817 (E_RNA) where: Base-Base interactions energy: -1199.130 where: short stacking energy: -521.692 Base-Backbone interact. energy: -2.982 local terms energy: -502.524143 where: bonds (distance) C4'-P energy: -96.873 bonds (distance) P-C4' energy: -103.298 flat angles C4'-P-C4' energy: -109.907 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -123.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1697.128848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.128848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.128848 (E_RNA) where: Base-Base interactions energy: -1212.096 where: short stacking energy: -544.848 Base-Backbone interact. energy: -2.283 local terms energy: -482.750455 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -103.632 flat angles P-C4'-P energy: -63.263 tors. eta vs tors. theta energy: -135.902 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: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1599.608318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.608318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.608318 (E_RNA) where: Base-Base interactions energy: -1124.047 where: short stacking energy: -520.060 Base-Backbone interact. energy: -2.226 local terms energy: -473.335150 where: bonds (distance) C4'-P energy: -76.724 bonds (distance) P-C4' energy: -99.174 flat angles C4'-P-C4' energy: -99.111 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -136.743 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: 4, replica: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1564.621840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.621840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.621840 (E_RNA) where: Base-Base interactions energy: -1133.153 where: short stacking energy: -494.537 Base-Backbone interact. energy: 1.167 local terms energy: -432.635460 where: bonds (distance) C4'-P energy: -85.780 bonds (distance) P-C4' energy: -87.157 flat angles C4'-P-C4' energy: -100.526 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -111.960 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: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1525.669193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.669193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.669193 (E_RNA) where: Base-Base interactions energy: -1082.295 where: short stacking energy: -501.646 Base-Backbone interact. energy: -2.727 local terms energy: -440.647360 where: bonds (distance) C4'-P energy: -82.928 bonds (distance) P-C4' energy: -86.779 flat angles C4'-P-C4' energy: -84.647 flat angles P-C4'-P energy: -62.447 tors. eta vs tors. theta energy: -123.847 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: 42 Temperature: 1.150000 Total energy: -1410.652254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.652254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.652254 (E_RNA) where: Base-Base interactions energy: -978.551 where: short stacking energy: -434.657 Base-Backbone interact. energy: 1.067 local terms energy: -433.168782 where: bonds (distance) C4'-P energy: -77.909 bonds (distance) P-C4' energy: -85.417 flat angles C4'-P-C4' energy: -93.191 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -115.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1452.858811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.858811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.858811 (E_RNA) where: Base-Base interactions energy: -1006.375 where: short stacking energy: -478.480 Base-Backbone interact. energy: -1.535 local terms energy: -444.949003 where: bonds (distance) C4'-P energy: -81.290 bonds (distance) P-C4' energy: -87.820 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -58.525 tors. eta vs tors. theta energy: -123.366 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: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1314.588198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.588198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.588198 (E_RNA) where: Base-Base interactions energy: -927.478 where: short stacking energy: -416.127 Base-Backbone interact. energy: -3.483 local terms energy: -383.626648 where: bonds (distance) C4'-P energy: -69.630 bonds (distance) P-C4' energy: -72.106 flat angles C4'-P-C4' energy: -87.245 flat angles P-C4'-P energy: -62.325 tors. eta vs tors. theta energy: -92.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1104.122764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.122764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.122764 (E_RNA) where: Base-Base interactions energy: -716.951 where: short stacking energy: -373.703 Base-Backbone interact. energy: -1.538 local terms energy: -385.633967 where: bonds (distance) C4'-P energy: -73.279 bonds (distance) P-C4' energy: -84.236 flat angles C4'-P-C4' energy: -86.609 flat angles P-C4'-P energy: -58.485 tors. eta vs tors. theta energy: -83.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -886.287462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.287462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.287462 (E_RNA) where: Base-Base interactions energy: -585.203 where: short stacking energy: -254.579 Base-Backbone interact. energy: 0.138 local terms energy: -301.222610 where: bonds (distance) C4'-P energy: -79.368 bonds (distance) P-C4' energy: -70.767 flat angles C4'-P-C4' energy: -57.899 flat angles P-C4'-P energy: -48.010 tors. eta vs tors. theta energy: -45.179 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: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1718.494495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.494495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.494495 (E_RNA) where: Base-Base interactions energy: -1194.858 where: short stacking energy: -566.358 Base-Backbone interact. energy: -2.853 local terms energy: -520.784111 where: bonds (distance) C4'-P energy: -98.335 bonds (distance) P-C4' energy: -103.941 flat angles C4'-P-C4' energy: -113.881 flat angles P-C4'-P energy: -63.707 tors. eta vs tors. theta energy: -140.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1708.583221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.583221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.583221 (E_RNA) where: Base-Base interactions energy: -1182.953 where: short stacking energy: -551.111 Base-Backbone interact. energy: -3.019 local terms energy: -522.611499 where: bonds (distance) C4'-P energy: -107.179 bonds (distance) P-C4' energy: -88.497 flat angles C4'-P-C4' energy: -103.338 flat angles P-C4'-P energy: -79.882 tors. eta vs tors. theta energy: -143.716 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: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1626.315617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.315617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.315617 (E_RNA) where: Base-Base interactions energy: -1137.260 where: short stacking energy: -541.276 Base-Backbone interact. energy: -1.578 local terms energy: -487.477235 where: bonds (distance) C4'-P energy: -89.000 bonds (distance) P-C4' energy: -94.220 flat angles C4'-P-C4' energy: -100.394 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -140.785 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: 43 Temperature: 1.050000 Total energy: -1563.510637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.510637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.510637 (E_RNA) where: Base-Base interactions energy: -1111.508 where: short stacking energy: -514.164 Base-Backbone interact. energy: -0.289 local terms energy: -451.713176 where: bonds (distance) C4'-P energy: -73.377 bonds (distance) P-C4' energy: -95.773 flat angles C4'-P-C4' energy: -93.604 flat angles P-C4'-P energy: -66.269 tors. eta vs tors. theta energy: -122.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1528.414736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.414736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.414736 (E_RNA) where: Base-Base interactions energy: -1094.070 where: short stacking energy: -490.997 Base-Backbone interact. energy: -3.509 local terms energy: -430.835607 where: bonds (distance) C4'-P energy: -83.622 bonds (distance) P-C4' energy: -79.097 flat angles C4'-P-C4' energy: -104.149 flat angles P-C4'-P energy: -58.735 tors. eta vs tors. theta energy: -105.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1489.738141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.738141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.738141 (E_RNA) where: Base-Base interactions energy: -1055.776 where: short stacking energy: -484.249 Base-Backbone interact. energy: -1.814 local terms energy: -432.147571 where: bonds (distance) C4'-P energy: -82.526 bonds (distance) P-C4' energy: -75.850 flat angles C4'-P-C4' energy: -94.376 flat angles P-C4'-P energy: -54.222 tors. eta vs tors. theta energy: -125.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1452.544579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.544579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.544579 (E_RNA) where: Base-Base interactions energy: -1017.546 where: short stacking energy: -460.881 Base-Backbone interact. energy: 2.250 local terms energy: -437.248812 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -89.713 flat angles C4'-P-C4' energy: -91.016 flat angles P-C4'-P energy: -58.688 tors. eta vs tors. theta energy: -110.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1275.630676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.630676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.630676 (E_RNA) where: Base-Base interactions energy: -898.593 where: short stacking energy: -377.442 Base-Backbone interact. energy: 2.391 local terms energy: -379.428273 where: bonds (distance) C4'-P energy: -78.074 bonds (distance) P-C4' energy: -77.195 flat angles C4'-P-C4' energy: -98.619 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -84.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1101.385247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.385247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.385247 (E_RNA) where: Base-Base interactions energy: -731.404 where: short stacking energy: -342.151 Base-Backbone interact. energy: -1.232 local terms energy: -368.749424 where: bonds (distance) C4'-P energy: -89.755 bonds (distance) P-C4' energy: -67.468 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -79.433 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: 43 Temperature: 1.350000 Total energy: -942.395271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.395271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.395271 (E_RNA) where: Base-Base interactions energy: -598.952 where: short stacking energy: -294.531 Base-Backbone interact. energy: -2.835 local terms energy: -340.607811 where: bonds (distance) C4'-P energy: -85.971 bonds (distance) P-C4' energy: -76.779 flat angles C4'-P-C4' energy: -76.324 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -47.613 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: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1700.456068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.456068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.456068 (E_RNA) where: Base-Base interactions energy: -1185.986 where: short stacking energy: -525.779 Base-Backbone interact. energy: -3.886 local terms energy: -510.583706 where: bonds (distance) C4'-P energy: -111.562 bonds (distance) P-C4' energy: -93.258 flat angles C4'-P-C4' energy: -103.820 flat angles P-C4'-P energy: -75.471 tors. eta vs tors. theta energy: -126.472 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: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1706.363040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.363040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.363040 (E_RNA) where: Base-Base interactions energy: -1194.320 where: short stacking energy: -559.855 Base-Backbone interact. energy: 4.025 local terms energy: -516.067581 where: bonds (distance) C4'-P energy: -99.213 bonds (distance) P-C4' energy: -94.479 flat angles C4'-P-C4' energy: -107.759 flat angles P-C4'-P energy: -74.700 tors. eta vs tors. theta energy: -139.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1661.161955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.161955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.161955 (E_RNA) where: Base-Base interactions energy: -1173.563 where: short stacking energy: -550.787 Base-Backbone interact. energy: -0.692 local terms energy: -486.907237 where: bonds (distance) C4'-P energy: -90.804 bonds (distance) P-C4' energy: -86.721 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -67.639 tors. eta vs tors. theta energy: -135.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1552.647736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.647736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.647736 (E_RNA) where: Base-Base interactions energy: -1099.458 where: short stacking energy: -507.675 Base-Backbone interact. energy: -1.431 local terms energy: -451.758324 where: bonds (distance) C4'-P energy: -85.627 bonds (distance) P-C4' energy: -91.229 flat angles C4'-P-C4' energy: -101.647 flat angles P-C4'-P energy: -50.483 tors. eta vs tors. theta energy: -122.772 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: 44 Temperature: 1.100000 Total energy: -1550.761765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.761765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.761765 (E_RNA) where: Base-Base interactions energy: -1075.130 where: short stacking energy: -532.196 Base-Backbone interact. energy: -1.602 local terms energy: -474.029669 where: bonds (distance) C4'-P energy: -89.556 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -108.789 flat angles P-C4'-P energy: -63.990 tors. eta vs tors. theta energy: -138.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1460.089476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.089476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.089476 (E_RNA) where: Base-Base interactions energy: -1054.115 where: short stacking energy: -465.972 Base-Backbone interact. energy: 3.583 local terms energy: -409.557277 where: bonds (distance) C4'-P energy: -79.347 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: -104.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1422.350257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.350257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.350257 (E_RNA) where: Base-Base interactions energy: -975.962 where: short stacking energy: -458.180 Base-Backbone interact. energy: -0.500 local terms energy: -445.888097 where: bonds (distance) C4'-P energy: -78.237 bonds (distance) P-C4' energy: -85.810 flat angles C4'-P-C4' energy: -95.933 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -115.053 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: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1252.760289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.760289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.760289 (E_RNA) where: Base-Base interactions energy: -852.212 where: short stacking energy: -393.780 Base-Backbone interact. energy: -2.915 local terms energy: -397.633437 where: bonds (distance) C4'-P energy: -86.820 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -82.500 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: -96.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1111.543088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.543088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.543088 (E_RNA) where: Base-Base interactions energy: -720.251 where: short stacking energy: -347.535 Base-Backbone interact. energy: -0.655 local terms energy: -390.637130 where: bonds (distance) C4'-P energy: -79.614 bonds (distance) P-C4' energy: -79.622 flat angles C4'-P-C4' energy: -89.278 flat angles P-C4'-P energy: -48.253 tors. eta vs tors. theta energy: -93.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -969.015800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.015800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.015800 (E_RNA) where: Base-Base interactions energy: -632.548 where: short stacking energy: -326.092 Base-Backbone interact. energy: 2.685 local terms energy: -339.152204 where: bonds (distance) C4'-P energy: -65.494 bonds (distance) P-C4' energy: -94.341 flat angles C4'-P-C4' energy: -65.536 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -64.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1716.388495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.388495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.388495 (E_RNA) where: Base-Base interactions energy: -1196.978 where: short stacking energy: -539.263 Base-Backbone interact. energy: -5.336 local terms energy: -514.074434 where: bonds (distance) C4'-P energy: -109.354 bonds (distance) P-C4' energy: -97.597 flat angles C4'-P-C4' energy: -112.322 flat angles P-C4'-P energy: -65.431 tors. eta vs tors. theta energy: -129.370 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: 45 Temperature: 0.950000 Total energy: -1668.959152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.959152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.959152 (E_RNA) where: Base-Base interactions energy: -1172.032 where: short stacking energy: -524.482 Base-Backbone interact. energy: -2.238 local terms energy: -494.689260 where: bonds (distance) C4'-P energy: -88.031 bonds (distance) P-C4' energy: -92.206 flat angles C4'-P-C4' energy: -107.711 flat angles P-C4'-P energy: -73.001 tors. eta vs tors. theta energy: -133.741 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: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1689.779444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.779444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.779444 (E_RNA) where: Base-Base interactions energy: -1205.132 where: short stacking energy: -550.143 Base-Backbone interact. energy: -2.961 local terms energy: -481.686299 where: bonds (distance) C4'-P energy: -89.626 bonds (distance) P-C4' energy: -84.945 flat angles C4'-P-C4' energy: -103.400 flat angles P-C4'-P energy: -61.942 tors. eta vs tors. theta energy: -141.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1620.958206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.958206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.958206 (E_RNA) where: Base-Base interactions energy: -1138.195 where: short stacking energy: -537.922 Base-Backbone interact. energy: -1.797 local terms energy: -480.966304 where: bonds (distance) C4'-P energy: -84.131 bonds (distance) P-C4' energy: -82.672 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -59.617 tors. eta vs tors. theta energy: -147.778 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: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1516.935531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.935531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.935531 (E_RNA) where: Base-Base interactions energy: -1060.187 where: short stacking energy: -489.256 Base-Backbone interact. energy: -1.869 local terms energy: -454.878743 where: bonds (distance) C4'-P energy: -96.532 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -92.270 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -122.584 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: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1453.005379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.005379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.005379 (E_RNA) where: Base-Base interactions energy: -1029.935 where: short stacking energy: -464.751 Base-Backbone interact. energy: 4.326 local terms energy: -427.396193 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -83.532 flat angles C4'-P-C4' energy: -98.413 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -93.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1405.807603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.807603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.807603 (E_RNA) where: Base-Base interactions energy: -972.479 where: short stacking energy: -455.044 Base-Backbone interact. energy: -0.792 local terms energy: -432.537024 where: bonds (distance) C4'-P energy: -88.199 bonds (distance) P-C4' energy: -79.008 flat angles C4'-P-C4' energy: -85.198 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -120.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1299.095002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.095002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.095002 (E_RNA) where: Base-Base interactions energy: -906.169 where: short stacking energy: -393.871 Base-Backbone interact. energy: -1.660 local terms energy: -391.265820 where: bonds (distance) C4'-P energy: -74.047 bonds (distance) P-C4' energy: -92.392 flat angles C4'-P-C4' energy: -66.053 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -98.740 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1161.105925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.105925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.105925 (E_RNA) where: Base-Base interactions energy: -755.504 where: short stacking energy: -389.862 Base-Backbone interact. energy: -0.786 local terms energy: -404.815926 where: bonds (distance) C4'-P energy: -83.348 bonds (distance) P-C4' energy: -93.812 flat angles C4'-P-C4' energy: -87.414 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -88.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -932.140158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.140158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.140158 (E_RNA) where: Base-Base interactions energy: -611.295 where: short stacking energy: -320.056 Base-Backbone interact. energy: 1.705 local terms energy: -322.550272 where: bonds (distance) C4'-P energy: -53.325 bonds (distance) P-C4' energy: -72.071 flat angles C4'-P-C4' energy: -94.509 flat angles P-C4'-P energy: -49.995 tors. eta vs tors. theta energy: -52.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1715.325413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.325413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.325413 (E_RNA) where: Base-Base interactions energy: -1204.081 where: short stacking energy: -557.664 Base-Backbone interact. energy: -4.670 local terms energy: -506.574461 where: bonds (distance) C4'-P energy: -84.831 bonds (distance) P-C4' energy: -89.907 flat angles C4'-P-C4' energy: -118.746 flat angles P-C4'-P energy: -75.216 tors. eta vs tors. theta energy: -137.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1672.690825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.690825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.690825 (E_RNA) where: Base-Base interactions energy: -1197.487 where: short stacking energy: -556.649 Base-Backbone interact. energy: -3.201 local terms energy: -472.002889 where: bonds (distance) C4'-P energy: -78.346 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -109.267 flat angles P-C4'-P energy: -70.261 tors. eta vs tors. theta energy: -128.519 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: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1673.509235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.509235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.509235 (E_RNA) where: Base-Base interactions energy: -1188.301 where: short stacking energy: -536.982 Base-Backbone interact. energy: 0.331 local terms energy: -485.538482 where: bonds (distance) C4'-P energy: -83.131 bonds (distance) P-C4' energy: -97.943 flat angles C4'-P-C4' energy: -96.230 flat angles P-C4'-P energy: -69.309 tors. eta vs tors. theta energy: -138.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1662.655511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.655511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.655511 (E_RNA) where: Base-Base interactions energy: -1177.527 where: short stacking energy: -562.268 Base-Backbone interact. energy: -0.410 local terms energy: -484.719003 where: bonds (distance) C4'-P energy: -95.816 bonds (distance) P-C4' energy: -91.313 flat angles C4'-P-C4' energy: -96.437 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -135.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1529.857886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.857886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.857886 (E_RNA) where: Base-Base interactions energy: -1090.415 where: short stacking energy: -470.870 Base-Backbone interact. energy: 2.820 local terms energy: -442.263216 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: -113.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1429.956473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.956473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.956473 (E_RNA) where: Base-Base interactions energy: -1010.141 where: short stacking energy: -439.209 Base-Backbone interact. energy: 1.480 local terms energy: -421.295719 where: bonds (distance) C4'-P energy: -77.900 bonds (distance) P-C4' energy: -84.076 flat angles C4'-P-C4' energy: -90.662 flat angles P-C4'-P energy: -65.970 tors. eta vs tors. theta energy: -102.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1421.199179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.199179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.199179 (E_RNA) where: Base-Base interactions energy: -993.661 where: short stacking energy: -471.944 Base-Backbone interact. energy: -1.589 local terms energy: -425.949268 where: bonds (distance) C4'-P energy: -76.115 bonds (distance) P-C4' energy: -82.599 flat angles C4'-P-C4' energy: -106.683 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -111.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1333.671899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.671899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.671899 (E_RNA) where: Base-Base interactions energy: -965.741 where: short stacking energy: -426.219 Base-Backbone interact. energy: 0.582 local terms energy: -368.512267 where: bonds (distance) C4'-P energy: -77.904 bonds (distance) P-C4' energy: -55.773 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -105.627 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: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1141.762351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.762351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.762351 (E_RNA) where: Base-Base interactions energy: -766.467 where: short stacking energy: -393.525 Base-Backbone interact. energy: 0.287 local terms energy: -375.581774 where: bonds (distance) C4'-P energy: -85.418 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -87.392 flat angles P-C4'-P energy: -53.860 tors. eta vs tors. theta energy: -86.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -977.185408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.185408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.185408 (E_RNA) where: Base-Base interactions energy: -646.719 where: short stacking energy: -318.658 Base-Backbone interact. energy: 1.027 local terms energy: -331.493014 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -71.064 flat angles C4'-P-C4' energy: -88.021 flat angles P-C4'-P energy: -32.473 tors. eta vs tors. theta energy: -68.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1712.078682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.078682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.078682 (E_RNA) where: Base-Base interactions energy: -1203.606 where: short stacking energy: -557.260 Base-Backbone interact. energy: -1.585 local terms energy: -506.887002 where: bonds (distance) C4'-P energy: -89.447 bonds (distance) P-C4' energy: -97.024 flat angles C4'-P-C4' energy: -109.582 flat angles P-C4'-P energy: -67.633 tors. eta vs tors. theta energy: -143.201 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: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1713.749083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.749083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.749083 (E_RNA) where: Base-Base interactions energy: -1205.997 where: short stacking energy: -540.008 Base-Backbone interact. energy: -2.698 local terms energy: -505.054908 where: bonds (distance) C4'-P energy: -93.624 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -105.876 flat angles P-C4'-P energy: -77.524 tors. eta vs tors. theta energy: -144.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1614.268817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.268817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.268817 (E_RNA) where: Base-Base interactions energy: -1151.603 where: short stacking energy: -504.603 Base-Backbone interact. energy: 0.458 local terms energy: -463.124139 where: bonds (distance) C4'-P energy: -93.870 bonds (distance) P-C4' energy: -90.346 flat angles C4'-P-C4' energy: -96.784 flat angles P-C4'-P energy: -63.116 tors. eta vs tors. theta energy: -119.008 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1633.642009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.642009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.642009 (E_RNA) where: Base-Base interactions energy: -1142.524 where: short stacking energy: -525.603 Base-Backbone interact. energy: -3.210 local terms energy: -487.907932 where: bonds (distance) C4'-P energy: -95.486 bonds (distance) P-C4' energy: -89.350 flat angles C4'-P-C4' energy: -92.811 flat angles P-C4'-P energy: -69.573 tors. eta vs tors. theta energy: -140.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1577.890508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.890508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.890508 (E_RNA) where: Base-Base interactions energy: -1136.956 where: short stacking energy: -490.687 Base-Backbone interact. energy: -4.041 local terms energy: -436.893787 where: bonds (distance) C4'-P energy: -80.148 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -102.871 flat angles P-C4'-P energy: -62.019 tors. eta vs tors. theta energy: -121.041 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: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1484.960804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.960804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.960804 (E_RNA) where: Base-Base interactions energy: -1068.748 where: short stacking energy: -487.957 Base-Backbone interact. energy: -1.907 local terms energy: -414.305117 where: bonds (distance) C4'-P energy: -80.404 bonds (distance) P-C4' energy: -73.885 flat angles C4'-P-C4' energy: -93.742 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: -112.383 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: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1348.631997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.631997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.631997 (E_RNA) where: Base-Base interactions energy: -933.221 where: short stacking energy: -419.345 Base-Backbone interact. energy: -0.751 local terms energy: -414.659884 where: bonds (distance) C4'-P energy: -80.316 bonds (distance) P-C4' energy: -78.632 flat angles C4'-P-C4' energy: -96.285 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -105.797 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: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1308.058789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.058789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.058789 (E_RNA) where: Base-Base interactions energy: -905.563 where: short stacking energy: -404.067 Base-Backbone interact. energy: 2.341 local terms energy: -404.836344 where: bonds (distance) C4'-P energy: -73.628 bonds (distance) P-C4' energy: -81.791 flat angles C4'-P-C4' energy: -86.560 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -97.051 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: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1066.281212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.281212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.281212 (E_RNA) where: Base-Base interactions energy: -741.540 where: short stacking energy: -355.083 Base-Backbone interact. energy: 0.712 local terms energy: -325.453390 where: bonds (distance) C4'-P energy: -44.273 bonds (distance) P-C4' energy: -74.602 flat angles C4'-P-C4' energy: -86.760 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: -68.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1028.170255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.170255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.170255 (E_RNA) where: Base-Base interactions energy: -700.249 where: short stacking energy: -339.827 Base-Backbone interact. energy: -0.191 local terms energy: -327.730030 where: bonds (distance) C4'-P energy: -64.623 bonds (distance) P-C4' energy: -66.746 flat angles C4'-P-C4' energy: -84.521 flat angles P-C4'-P energy: -43.420 tors. eta vs tors. theta energy: -68.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1725.220137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.220137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.220137 (E_RNA) where: Base-Base interactions energy: -1202.837 where: short stacking energy: -543.453 Base-Backbone interact. energy: -2.917 local terms energy: -519.466128 where: bonds (distance) C4'-P energy: -94.226 bonds (distance) P-C4' energy: -95.784 flat angles C4'-P-C4' energy: -107.104 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -144.700 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: 48 Temperature: 0.950000 Total energy: -1689.228216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.228216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.228216 (E_RNA) where: Base-Base interactions energy: -1193.046 where: short stacking energy: -562.930 Base-Backbone interact. energy: -2.144 local terms energy: -494.037790 where: bonds (distance) C4'-P energy: -84.855 bonds (distance) P-C4' energy: -82.279 flat angles C4'-P-C4' energy: -105.778 flat angles P-C4'-P energy: -67.490 tors. eta vs tors. theta energy: -153.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1692.859769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.859769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.859769 (E_RNA) where: Base-Base interactions energy: -1184.463 where: short stacking energy: -562.272 Base-Backbone interact. energy: -1.978 local terms energy: -506.418832 where: bonds (distance) C4'-P energy: -93.240 bonds (distance) P-C4' energy: -99.246 flat angles C4'-P-C4' energy: -102.143 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: -144.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1591.188289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.188289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.188289 (E_RNA) where: Base-Base interactions energy: -1112.771 where: short stacking energy: -504.434 Base-Backbone interact. energy: -3.402 local terms energy: -475.015216 where: bonds (distance) C4'-P energy: -79.527 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -95.936 flat angles P-C4'-P energy: -72.937 tors. eta vs tors. theta energy: -122.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1536.456543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.456543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.456543 (E_RNA) where: Base-Base interactions energy: -1069.023 where: short stacking energy: -479.459 Base-Backbone interact. energy: 1.804 local terms energy: -469.237439 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -93.734 flat angles C4'-P-C4' energy: -86.777 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: -121.897 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: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1512.704858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.704858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.704858 (E_RNA) where: Base-Base interactions energy: -1072.976 where: short stacking energy: -479.721 Base-Backbone interact. energy: 0.794 local terms energy: -440.523337 where: bonds (distance) C4'-P energy: -81.691 bonds (distance) P-C4' energy: -81.149 flat angles C4'-P-C4' energy: -96.079 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -122.009 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: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1415.607073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.607073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.607073 (E_RNA) where: Base-Base interactions energy: -1012.882 where: short stacking energy: -438.442 Base-Backbone interact. energy: 1.116 local terms energy: -403.841371 where: bonds (distance) C4'-P energy: -74.509 bonds (distance) P-C4' energy: -86.958 flat angles C4'-P-C4' energy: -92.337 flat angles P-C4'-P energy: -47.078 tors. eta vs tors. theta energy: -102.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1316.968568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.968568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.968568 (E_RNA) where: Base-Base interactions energy: -918.026 where: short stacking energy: -440.944 Base-Backbone interact. energy: -1.015 local terms energy: -397.927311 where: bonds (distance) C4'-P energy: -78.967 bonds (distance) P-C4' energy: -80.189 flat angles C4'-P-C4' energy: -85.431 flat angles P-C4'-P energy: -48.286 tors. eta vs tors. theta energy: -105.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1116.950217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.950217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.950217 (E_RNA) where: Base-Base interactions energy: -765.690 where: short stacking energy: -367.032 Base-Backbone interact. energy: 1.033 local terms energy: -352.293320 where: bonds (distance) C4'-P energy: -68.919 bonds (distance) P-C4' energy: -74.819 flat angles C4'-P-C4' energy: -77.043 flat angles P-C4'-P energy: -54.119 tors. eta vs tors. theta energy: -77.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -930.095807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.095807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.095807 (E_RNA) where: Base-Base interactions energy: -597.508 where: short stacking energy: -290.226 Base-Backbone interact. energy: 4.996 local terms energy: -337.584004 where: bonds (distance) C4'-P energy: -61.750 bonds (distance) P-C4' energy: -95.933 flat angles C4'-P-C4' energy: -82.163 flat angles P-C4'-P energy: -46.159 tors. eta vs tors. theta energy: -51.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1744.919371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.919371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.919371 (E_RNA) where: Base-Base interactions energy: -1217.582 where: short stacking energy: -563.729 Base-Backbone interact. energy: -4.475 local terms energy: -522.862239 where: bonds (distance) C4'-P energy: -95.692 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -109.997 flat angles P-C4'-P energy: -81.060 tors. eta vs tors. theta energy: -140.702 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: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1735.138917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.138917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.138917 (E_RNA) where: Base-Base interactions energy: -1224.078 where: short stacking energy: -595.167 Base-Backbone interact. energy: 1.320 local terms energy: -512.380491 where: bonds (distance) C4'-P energy: -94.786 bonds (distance) P-C4' energy: -86.448 flat angles C4'-P-C4' energy: -100.992 flat angles P-C4'-P energy: -79.519 tors. eta vs tors. theta energy: -150.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1649.694117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.694117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.694117 (E_RNA) where: Base-Base interactions energy: -1181.763 where: short stacking energy: -540.537 Base-Backbone interact. energy: 0.698 local terms energy: -468.629412 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -76.678 flat angles C4'-P-C4' energy: -101.445 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -134.185 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: 49 Temperature: 1.050000 Total energy: -1576.143302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.143302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.143302 (E_RNA) where: Base-Base interactions energy: -1101.378 where: short stacking energy: -522.825 Base-Backbone interact. energy: -3.377 local terms energy: -471.388503 where: bonds (distance) C4'-P energy: -85.582 bonds (distance) P-C4' energy: -90.209 flat angles C4'-P-C4' energy: -102.719 flat angles P-C4'-P energy: -68.376 tors. eta vs tors. theta energy: -124.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1571.166714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.166714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.166714 (E_RNA) where: Base-Base interactions energy: -1130.849 where: short stacking energy: -485.478 Base-Backbone interact. energy: 4.202 local terms energy: -444.520409 where: bonds (distance) C4'-P energy: -83.757 bonds (distance) P-C4' energy: -84.205 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -124.322 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: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1511.143327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.143327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.143327 (E_RNA) where: Base-Base interactions energy: -1090.492 where: short stacking energy: -485.435 Base-Backbone interact. energy: -0.963 local terms energy: -419.687968 where: bonds (distance) C4'-P energy: -80.808 bonds (distance) P-C4' energy: -78.834 flat angles C4'-P-C4' energy: -88.066 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -117.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1485.366182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.366182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.366182 (E_RNA) where: Base-Base interactions energy: -1053.679 where: short stacking energy: -459.471 Base-Backbone interact. energy: -1.036 local terms energy: -430.651353 where: bonds (distance) C4'-P energy: -73.889 bonds (distance) P-C4' energy: -85.725 flat angles C4'-P-C4' energy: -92.725 flat angles P-C4'-P energy: -58.838 tors. eta vs tors. theta energy: -119.474 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: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1255.410180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.410180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.410180 (E_RNA) where: Base-Base interactions energy: -868.935 where: short stacking energy: -403.478 Base-Backbone interact. energy: -3.903 local terms energy: -382.572268 where: bonds (distance) C4'-P energy: -78.101 bonds (distance) P-C4' energy: -81.161 flat angles C4'-P-C4' energy: -90.414 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -81.342 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: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1170.826477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.826477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.826477 (E_RNA) where: Base-Base interactions energy: -813.652 where: short stacking energy: -397.649 Base-Backbone interact. energy: -0.521 local terms energy: -356.653067 where: bonds (distance) C4'-P energy: -66.898 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -95.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -941.617446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.617446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.617446 (E_RNA) where: Base-Base interactions energy: -615.271 where: short stacking energy: -317.733 Base-Backbone interact. energy: -1.564 local terms energy: -324.782716 where: bonds (distance) C4'-P energy: -67.427 bonds (distance) P-C4' energy: -61.379 flat angles C4'-P-C4' energy: -91.716 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -54.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1773.467544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.467544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.467544 (E_RNA) where: Base-Base interactions energy: -1254.139 where: short stacking energy: -575.600 Base-Backbone interact. energy: -2.024 local terms energy: -517.304266 where: bonds (distance) C4'-P energy: -95.018 bonds (distance) P-C4' energy: -95.104 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -148.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1700.649300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.649300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.649300 (E_RNA) where: Base-Base interactions energy: -1194.512 where: short stacking energy: -546.148 Base-Backbone interact. energy: -2.300 local terms energy: -503.837100 where: bonds (distance) C4'-P energy: -94.496 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -70.157 tors. eta vs tors. theta energy: -143.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1661.014535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.014535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.014535 (E_RNA) where: Base-Base interactions energy: -1158.566 where: short stacking energy: -542.475 Base-Backbone interact. energy: -5.553 local terms energy: -496.895523 where: bonds (distance) C4'-P energy: -89.974 bonds (distance) P-C4' energy: -101.060 flat angles C4'-P-C4' energy: -107.809 flat angles P-C4'-P energy: -64.575 tors. eta vs tors. theta energy: -133.478 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: 50 Temperature: 1.050000 Total energy: -1577.926167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.926167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.926167 (E_RNA) where: Base-Base interactions energy: -1111.800 where: short stacking energy: -467.316 Base-Backbone interact. energy: 3.779 local terms energy: -469.905319 where: bonds (distance) C4'-P energy: -91.146 bonds (distance) P-C4' energy: -86.170 flat angles C4'-P-C4' energy: -99.832 flat angles P-C4'-P energy: -71.403 tors. eta vs tors. theta energy: -121.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1584.954748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.954748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.954748 (E_RNA) where: Base-Base interactions energy: -1128.920 where: short stacking energy: -481.500 Base-Backbone interact. energy: 1.805 local terms energy: -457.839198 where: bonds (distance) C4'-P energy: -82.286 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -97.606 flat angles P-C4'-P energy: -60.852 tors. eta vs tors. theta energy: -133.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1524.524801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.524801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.524801 (E_RNA) where: Base-Base interactions energy: -1085.133 where: short stacking energy: -485.399 Base-Backbone interact. energy: -2.823 local terms energy: -436.569672 where: bonds (distance) C4'-P energy: -80.441 bonds (distance) P-C4' energy: -79.852 flat angles C4'-P-C4' energy: -97.477 flat angles P-C4'-P energy: -59.354 tors. eta vs tors. theta energy: -119.445 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: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1507.290903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.290903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.290903 (E_RNA) where: Base-Base interactions energy: -1071.112 where: short stacking energy: -483.686 Base-Backbone interact. energy: 0.312 local terms energy: -436.491478 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -84.144 flat angles C4'-P-C4' energy: -107.585 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -117.469 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: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1222.676438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.676438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.676438 (E_RNA) where: Base-Base interactions energy: -874.197 where: short stacking energy: -394.750 Base-Backbone interact. energy: 1.342 local terms energy: -349.820714 where: bonds (distance) C4'-P energy: -62.977 bonds (distance) P-C4' energy: -70.779 flat angles C4'-P-C4' energy: -86.448 flat angles P-C4'-P energy: -45.810 tors. eta vs tors. theta energy: -83.807 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: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1222.962755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.962755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.962755 (E_RNA) where: Base-Base interactions energy: -846.052 where: short stacking energy: -408.612 Base-Backbone interact. energy: -1.965 local terms energy: -374.945804 where: bonds (distance) C4'-P energy: -66.687 bonds (distance) P-C4' energy: -72.635 flat angles C4'-P-C4' energy: -86.585 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -99.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -952.011074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.011074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.011074 (E_RNA) where: Base-Base interactions energy: -618.825 where: short stacking energy: -292.714 Base-Backbone interact. energy: 0.502 local terms energy: -333.688131 where: bonds (distance) C4'-P energy: -83.314 bonds (distance) P-C4' energy: -71.854 flat angles C4'-P-C4' energy: -80.645 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -51.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1754.563715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.563715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.563715 (E_RNA) where: Base-Base interactions energy: -1208.435 where: short stacking energy: -563.367 Base-Backbone interact. energy: 2.939 local terms energy: -549.068201 where: bonds (distance) C4'-P energy: -107.409 bonds (distance) P-C4' energy: -102.804 flat angles C4'-P-C4' energy: -112.062 flat angles P-C4'-P energy: -80.008 tors. eta vs tors. theta energy: -146.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1726.843884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.843884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.843884 (E_RNA) where: Base-Base interactions energy: -1217.403 where: short stacking energy: -570.517 Base-Backbone interact. energy: -2.796 local terms energy: -506.644872 where: bonds (distance) C4'-P energy: -91.049 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -105.532 flat angles P-C4'-P energy: -74.436 tors. eta vs tors. theta energy: -145.300 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: 51 Temperature: 1.000000 Total energy: -1653.095280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.095280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.095280 (E_RNA) where: Base-Base interactions energy: -1171.489 where: short stacking energy: -517.909 Base-Backbone interact. energy: -2.729 local terms energy: -478.877219 where: bonds (distance) C4'-P energy: -89.968 bonds (distance) P-C4' energy: -81.471 flat angles C4'-P-C4' energy: -106.870 flat angles P-C4'-P energy: -64.010 tors. eta vs tors. theta energy: -136.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1645.567136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.567136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.567136 (E_RNA) where: Base-Base interactions energy: -1190.821 where: short stacking energy: -500.178 Base-Backbone interact. energy: -1.948 local terms energy: -452.797841 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -90.738 flat angles C4'-P-C4' energy: -95.604 flat angles P-C4'-P energy: -57.664 tors. eta vs tors. theta energy: -126.944 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: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1515.442413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.442413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.442413 (E_RNA) where: Base-Base interactions energy: -1067.869 where: short stacking energy: -484.616 Base-Backbone interact. energy: -3.414 local terms energy: -444.159305 where: bonds (distance) C4'-P energy: -83.990 bonds (distance) P-C4' energy: -79.704 flat angles C4'-P-C4' energy: -103.264 flat angles P-C4'-P energy: -59.171 tors. eta vs tors. theta energy: -118.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1577.133473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.133473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.133473 (E_RNA) where: Base-Base interactions energy: -1140.753 where: short stacking energy: -497.984 Base-Backbone interact. energy: -1.519 local terms energy: -434.861584 where: bonds (distance) C4'-P energy: -71.936 bonds (distance) P-C4' energy: -81.251 flat angles C4'-P-C4' energy: -97.551 flat angles P-C4'-P energy: -59.434 tors. eta vs tors. theta energy: -124.690 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: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1442.820838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.820838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.820838 (E_RNA) where: Base-Base interactions energy: -1032.710 where: short stacking energy: -437.971 Base-Backbone interact. energy: -0.473 local terms energy: -409.637348 where: bonds (distance) C4'-P energy: -82.376 bonds (distance) P-C4' energy: -68.080 flat angles C4'-P-C4' energy: -95.353 flat angles P-C4'-P energy: -56.568 tors. eta vs tors. theta energy: -107.261 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: 51 Temperature: 1.250000 Total energy: -1300.137124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.137124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.137124 (E_RNA) where: Base-Base interactions energy: -899.546 where: short stacking energy: -415.730 Base-Backbone interact. energy: -1.854 local terms energy: -398.737757 where: bonds (distance) C4'-P energy: -73.572 bonds (distance) P-C4' energy: -72.379 flat angles C4'-P-C4' energy: -95.175 flat angles P-C4'-P energy: -54.596 tors. eta vs tors. theta energy: -103.016 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: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1092.140686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.140686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.140686 (E_RNA) where: Base-Base interactions energy: -740.496 where: short stacking energy: -329.682 Base-Backbone interact. energy: -1.614 local terms energy: -350.030520 where: bonds (distance) C4'-P energy: -81.154 bonds (distance) P-C4' energy: -80.004 flat angles C4'-P-C4' energy: -82.943 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: -63.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1032.687303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.687303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.687303 (E_RNA) where: Base-Base interactions energy: -708.286 where: short stacking energy: -346.657 Base-Backbone interact. energy: 1.282 local terms energy: -325.683692 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -80.696 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -64.587 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: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1775.014169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.014169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.014169 (E_RNA) where: Base-Base interactions energy: -1262.327 where: short stacking energy: -590.318 Base-Backbone interact. energy: 0.590 local terms energy: -513.276694 where: bonds (distance) C4'-P energy: -87.330 bonds (distance) P-C4' energy: -82.355 flat angles C4'-P-C4' energy: -114.547 flat angles P-C4'-P energy: -80.122 tors. eta vs tors. theta energy: -148.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1740.854072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.854072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.854072 (E_RNA) where: Base-Base interactions energy: -1219.776 where: short stacking energy: -562.334 Base-Backbone interact. energy: -1.855 local terms energy: -519.222950 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -87.559 flat angles C4'-P-C4' energy: -107.414 flat angles P-C4'-P energy: -66.388 tors. eta vs tors. theta energy: -153.731 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: 52 Temperature: 1.000000 Total energy: -1647.888562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.888562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.888562 (E_RNA) where: Base-Base interactions energy: -1165.686 where: short stacking energy: -527.256 Base-Backbone interact. energy: -2.464 local terms energy: -479.737767 where: bonds (distance) C4'-P energy: -75.761 bonds (distance) P-C4' energy: -88.430 flat angles C4'-P-C4' energy: -104.129 flat angles P-C4'-P energy: -73.003 tors. eta vs tors. theta energy: -138.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1672.955100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.955100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.955100 (E_RNA) where: Base-Base interactions energy: -1217.178 where: short stacking energy: -553.580 Base-Backbone interact. energy: -0.531 local terms energy: -455.245915 where: bonds (distance) C4'-P energy: -80.947 bonds (distance) P-C4' energy: -79.456 flat angles C4'-P-C4' energy: -95.820 flat angles P-C4'-P energy: -64.177 tors. eta vs tors. theta energy: -134.845 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: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1582.860196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.860196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.860196 (E_RNA) where: Base-Base interactions energy: -1138.546 where: short stacking energy: -509.869 Base-Backbone interact. energy: -3.254 local terms energy: -441.061006 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -76.789 flat angles C4'-P-C4' energy: -89.865 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -128.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1516.241417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.241417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.241417 (E_RNA) where: Base-Base interactions energy: -1089.130 where: short stacking energy: -497.924 Base-Backbone interact. energy: 0.997 local terms energy: -428.108406 where: bonds (distance) C4'-P energy: -69.661 bonds (distance) P-C4' energy: -85.315 flat angles C4'-P-C4' energy: -91.327 flat angles P-C4'-P energy: -55.738 tors. eta vs tors. theta energy: -126.068 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: 52 Temperature: 1.200000 Total energy: -1404.672857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.672857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.672857 (E_RNA) where: Base-Base interactions energy: -970.638 where: short stacking energy: -457.854 Base-Backbone interact. energy: 1.372 local terms energy: -435.407512 where: bonds (distance) C4'-P energy: -85.065 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -91.268 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -106.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1317.449622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.449622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.449622 (E_RNA) where: Base-Base interactions energy: -902.005 where: short stacking energy: -436.317 Base-Backbone interact. energy: -1.549 local terms energy: -413.895503 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -84.343 flat angles C4'-P-C4' energy: -89.332 flat angles P-C4'-P energy: -53.732 tors. eta vs tors. theta energy: -105.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1096.085521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.085521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.085521 (E_RNA) where: Base-Base interactions energy: -701.783 where: short stacking energy: -354.984 Base-Backbone interact. energy: 0.999 local terms energy: -395.301766 where: bonds (distance) C4'-P energy: -85.069 bonds (distance) P-C4' energy: -84.682 flat angles C4'-P-C4' energy: -90.566 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: -79.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1002.201134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.201134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.201134 (E_RNA) where: Base-Base interactions energy: -669.114 where: short stacking energy: -328.189 Base-Backbone interact. energy: 0.149 local terms energy: -333.236978 where: bonds (distance) C4'-P energy: -74.745 bonds (distance) P-C4' energy: -72.331 flat angles C4'-P-C4' energy: -70.034 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -69.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1763.315353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.315353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.315353 (E_RNA) where: Base-Base interactions energy: -1247.114 where: short stacking energy: -603.138 Base-Backbone interact. energy: -2.624 local terms energy: -513.577565 where: bonds (distance) C4'-P energy: -85.711 bonds (distance) P-C4' energy: -99.616 flat angles C4'-P-C4' energy: -108.853 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -153.404 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: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1752.796986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.796986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.796986 (E_RNA) where: Base-Base interactions energy: -1239.125 where: short stacking energy: -564.336 Base-Backbone interact. energy: -0.456 local terms energy: -513.216656 where: bonds (distance) C4'-P energy: -99.175 bonds (distance) P-C4' energy: -82.273 flat angles C4'-P-C4' energy: -109.945 flat angles P-C4'-P energy: -69.299 tors. eta vs tors. theta energy: -152.524 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: 53 Temperature: 1.000000 Total energy: -1659.365585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.365585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.365585 (E_RNA) where: Base-Base interactions energy: -1186.422 where: short stacking energy: -534.624 Base-Backbone interact. energy: -2.582 local terms energy: -470.361782 where: bonds (distance) C4'-P energy: -79.622 bonds (distance) P-C4' energy: -101.907 flat angles C4'-P-C4' energy: -102.607 flat angles P-C4'-P energy: -57.386 tors. eta vs tors. theta energy: -128.839 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: 53 Temperature: 1.050000 Total energy: -1669.201878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.201878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.201878 (E_RNA) where: Base-Base interactions energy: -1191.376 where: short stacking energy: -539.071 Base-Backbone interact. energy: -2.899 local terms energy: -474.926521 where: bonds (distance) C4'-P energy: -90.787 bonds (distance) P-C4' energy: -82.280 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: -134.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1597.093978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.093978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.093978 (E_RNA) where: Base-Base interactions energy: -1140.464 where: short stacking energy: -499.164 Base-Backbone interact. energy: -3.186 local terms energy: -453.444231 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -85.902 flat angles C4'-P-C4' energy: -95.491 flat angles P-C4'-P energy: -61.785 tors. eta vs tors. theta energy: -124.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1479.185175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.185175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.185175 (E_RNA) where: Base-Base interactions energy: -1046.592 where: short stacking energy: -479.710 Base-Backbone interact. energy: -0.439 local terms energy: -432.153660 where: bonds (distance) C4'-P energy: -69.861 bonds (distance) P-C4' energy: -84.157 flat angles C4'-P-C4' energy: -107.072 flat angles P-C4'-P energy: -56.126 tors. eta vs tors. theta energy: -114.938 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: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1367.919891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.919891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.919891 (E_RNA) where: Base-Base interactions energy: -968.417 where: short stacking energy: -433.069 Base-Backbone interact. energy: 0.893 local terms energy: -400.395308 where: bonds (distance) C4'-P energy: -74.913 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -96.464 flat angles P-C4'-P energy: -54.862 tors. eta vs tors. theta energy: -93.903 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1285.194176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.194176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.194176 (E_RNA) where: Base-Base interactions energy: -887.034 where: short stacking energy: -416.844 Base-Backbone interact. energy: -3.381 local terms energy: -394.779473 where: bonds (distance) C4'-P energy: -86.107 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -77.657 flat angles P-C4'-P energy: -63.574 tors. eta vs tors. theta energy: -100.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1115.855684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.855684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.855684 (E_RNA) where: Base-Base interactions energy: -751.103 where: short stacking energy: -350.481 Base-Backbone interact. energy: 2.534 local terms energy: -367.287063 where: bonds (distance) C4'-P energy: -82.767 bonds (distance) P-C4' energy: -77.776 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -49.338 tors. eta vs tors. theta energy: -72.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -993.993302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.993302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.993302 (E_RNA) where: Base-Base interactions energy: -667.596 where: short stacking energy: -309.237 Base-Backbone interact. energy: 1.118 local terms energy: -327.515765 where: bonds (distance) C4'-P energy: -74.440 bonds (distance) P-C4' energy: -79.596 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -37.410 tors. eta vs tors. theta energy: -63.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1783.232509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.232509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.232509 (E_RNA) where: Base-Base interactions energy: -1260.559 where: short stacking energy: -556.516 Base-Backbone interact. energy: -3.018 local terms energy: -519.655138 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -92.214 flat angles C4'-P-C4' energy: -111.655 flat angles P-C4'-P energy: -77.898 tors. eta vs tors. theta energy: -144.269 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1756.387988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.387988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.387988 (E_RNA) where: Base-Base interactions energy: -1232.691 where: short stacking energy: -575.094 Base-Backbone interact. energy: -2.985 local terms energy: -520.711278 where: bonds (distance) C4'-P energy: -96.484 bonds (distance) P-C4' energy: -86.716 flat angles C4'-P-C4' energy: -111.546 flat angles P-C4'-P energy: -80.066 tors. eta vs tors. theta energy: -145.900 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: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1677.480433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.480433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.480433 (E_RNA) where: Base-Base interactions energy: -1189.009 where: short stacking energy: -547.966 Base-Backbone interact. energy: -2.612 local terms energy: -485.859060 where: bonds (distance) C4'-P energy: -94.689 bonds (distance) P-C4' energy: -69.102 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -141.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1695.216307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.216307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.216307 (E_RNA) where: Base-Base interactions energy: -1203.496 where: short stacking energy: -541.438 Base-Backbone interact. energy: -2.594 local terms energy: -489.125639 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -91.553 flat angles C4'-P-C4' energy: -106.309 flat angles P-C4'-P energy: -65.853 tors. eta vs tors. theta energy: -136.462 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: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1650.312898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.312898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.312898 (E_RNA) where: Base-Base interactions energy: -1183.750 where: short stacking energy: -521.632 Base-Backbone interact. energy: -2.279 local terms energy: -464.284045 where: bonds (distance) C4'-P energy: -83.496 bonds (distance) P-C4' energy: -84.103 flat angles C4'-P-C4' energy: -99.183 flat angles P-C4'-P energy: -71.896 tors. eta vs tors. theta energy: -125.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1495.243539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.243539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.243539 (E_RNA) where: Base-Base interactions energy: -1055.776 where: short stacking energy: -471.979 Base-Backbone interact. energy: -4.848 local terms energy: -434.619527 where: bonds (distance) C4'-P energy: -88.337 bonds (distance) P-C4' energy: -89.184 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -49.803 tors. eta vs tors. theta energy: -113.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1391.781784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.781784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.781784 (E_RNA) where: Base-Base interactions energy: -977.971 where: short stacking energy: -443.807 Base-Backbone interact. energy: -0.026 local terms energy: -413.784799 where: bonds (distance) C4'-P energy: -90.201 bonds (distance) P-C4' energy: -82.223 flat angles C4'-P-C4' energy: -94.762 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -95.597 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: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1274.778644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.778644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.778644 (E_RNA) where: Base-Base interactions energy: -893.928 where: short stacking energy: -416.810 Base-Backbone interact. energy: 0.091 local terms energy: -380.942013 where: bonds (distance) C4'-P energy: -67.436 bonds (distance) P-C4' energy: -77.604 flat angles C4'-P-C4' energy: -82.859 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -98.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1115.199374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.199374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.199374 (E_RNA) where: Base-Base interactions energy: -746.849 where: short stacking energy: -357.466 Base-Backbone interact. energy: -1.645 local terms energy: -366.705782 where: bonds (distance) C4'-P energy: -76.569 bonds (distance) P-C4' energy: -69.646 flat angles C4'-P-C4' energy: -92.104 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -72.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -918.233436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.233436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.233436 (E_RNA) where: Base-Base interactions energy: -579.886 where: short stacking energy: -274.965 Base-Backbone interact. energy: 0.214 local terms energy: -338.560746 where: bonds (distance) C4'-P energy: -81.143 bonds (distance) P-C4' energy: -85.380 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: -50.452 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: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1786.516322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.516322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.516322 (E_RNA) where: Base-Base interactions energy: -1287.185 where: short stacking energy: -543.915 Base-Backbone interact. energy: -2.737 local terms energy: -496.593657 where: bonds (distance) C4'-P energy: -93.329 bonds (distance) P-C4' energy: -97.654 flat angles C4'-P-C4' energy: -103.431 flat angles P-C4'-P energy: -62.176 tors. eta vs tors. theta energy: -140.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1748.603888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.603888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.603888 (E_RNA) where: Base-Base interactions energy: -1226.228 where: short stacking energy: -568.338 Base-Backbone interact. energy: -4.602 local terms energy: -517.774056 where: bonds (distance) C4'-P energy: -94.973 bonds (distance) P-C4' energy: -101.000 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -139.702 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: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1660.830615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.830615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.830615 (E_RNA) where: Base-Base interactions energy: -1173.081 where: short stacking energy: -551.167 Base-Backbone interact. energy: -1.114 local terms energy: -486.635910 where: bonds (distance) C4'-P energy: -83.185 bonds (distance) P-C4' energy: -87.160 flat angles C4'-P-C4' energy: -102.922 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -143.634 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: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1642.379045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.379045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.379045 (E_RNA) where: Base-Base interactions energy: -1184.673 where: short stacking energy: -493.073 Base-Backbone interact. energy: -1.936 local terms energy: -455.769817 where: bonds (distance) C4'-P energy: -85.912 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -93.922 flat angles P-C4'-P energy: -57.599 tors. eta vs tors. theta energy: -125.679 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: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1680.452827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.452827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.452827 (E_RNA) where: Base-Base interactions energy: -1194.632 where: short stacking energy: -520.249 Base-Backbone interact. energy: -4.306 local terms energy: -481.515249 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -95.239 flat angles C4'-P-C4' energy: -104.353 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -134.647 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: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1506.259724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.259724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.259724 (E_RNA) where: Base-Base interactions energy: -1079.331 where: short stacking energy: -483.098 Base-Backbone interact. energy: -1.054 local terms energy: -425.875334 where: bonds (distance) C4'-P energy: -85.198 bonds (distance) P-C4' energy: -82.116 flat angles C4'-P-C4' energy: -96.225 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -108.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1402.591817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.591817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.591817 (E_RNA) where: Base-Base interactions energy: -1015.567 where: short stacking energy: -436.280 Base-Backbone interact. energy: 1.617 local terms energy: -388.642501 where: bonds (distance) C4'-P energy: -52.972 bonds (distance) P-C4' energy: -81.480 flat angles C4'-P-C4' energy: -94.110 flat angles P-C4'-P energy: -57.101 tors. eta vs tors. theta energy: -102.979 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: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1352.110849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.110849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.110849 (E_RNA) where: Base-Base interactions energy: -917.788 where: short stacking energy: -444.999 Base-Backbone interact. energy: 2.391 local terms energy: -436.713716 where: bonds (distance) C4'-P energy: -85.750 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -89.785 flat angles P-C4'-P energy: -55.657 tors. eta vs tors. theta energy: -117.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1224.557033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.557033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.557033 (E_RNA) where: Base-Base interactions energy: -860.718 where: short stacking energy: -406.384 Base-Backbone interact. energy: 4.128 local terms energy: -367.967507 where: bonds (distance) C4'-P energy: -49.096 bonds (distance) P-C4' energy: -74.558 flat angles C4'-P-C4' energy: -88.812 flat angles P-C4'-P energy: -63.978 tors. eta vs tors. theta energy: -91.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1012.614047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.614047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.614047 (E_RNA) where: Base-Base interactions energy: -699.532 where: short stacking energy: -331.004 Base-Backbone interact. energy: -0.458 local terms energy: -312.623859 where: bonds (distance) C4'-P energy: -69.985 bonds (distance) P-C4' energy: -76.080 flat angles C4'-P-C4' energy: -66.847 flat angles P-C4'-P energy: -34.209 tors. eta vs tors. theta energy: -65.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1785.898391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.898391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.898391 (E_RNA) where: Base-Base interactions energy: -1275.184 where: short stacking energy: -551.645 Base-Backbone interact. energy: -2.786 local terms energy: -507.928175 where: bonds (distance) C4'-P energy: -89.176 bonds (distance) P-C4' energy: -96.521 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -65.922 tors. eta vs tors. theta energy: -146.505 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1760.642398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.642398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.642398 (E_RNA) where: Base-Base interactions energy: -1244.741 where: short stacking energy: -596.644 Base-Backbone interact. energy: -2.325 local terms energy: -513.576872 where: bonds (distance) C4'-P energy: -94.845 bonds (distance) P-C4' energy: -93.323 flat angles C4'-P-C4' energy: -111.305 flat angles P-C4'-P energy: -70.290 tors. eta vs tors. theta energy: -143.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1679.054277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.054277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.054277 (E_RNA) where: Base-Base interactions energy: -1209.719 where: short stacking energy: -556.707 Base-Backbone interact. energy: -2.876 local terms energy: -466.459032 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -91.984 flat angles C4'-P-C4' energy: -104.270 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: -140.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1668.554787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.554787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.554787 (E_RNA) where: Base-Base interactions energy: -1208.015 where: short stacking energy: -530.454 Base-Backbone interact. energy: -0.013 local terms energy: -460.526204 where: bonds (distance) C4'-P energy: -84.782 bonds (distance) P-C4' energy: -75.792 flat angles C4'-P-C4' energy: -104.739 flat angles P-C4'-P energy: -65.939 tors. eta vs tors. theta energy: -129.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1673.963599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.963599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.963599 (E_RNA) where: Base-Base interactions energy: -1187.564 where: short stacking energy: -510.420 Base-Backbone interact. energy: -3.944 local terms energy: -482.455592 where: bonds (distance) C4'-P energy: -85.571 bonds (distance) P-C4' energy: -96.295 flat angles C4'-P-C4' energy: -98.993 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -138.639 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: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1526.291382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.291382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.291382 (E_RNA) where: Base-Base interactions energy: -1108.802 where: short stacking energy: -507.873 Base-Backbone interact. energy: -2.817 local terms energy: -414.672408 where: bonds (distance) C4'-P energy: -70.274 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -90.677 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -120.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1391.372588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.372588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.372588 (E_RNA) where: Base-Base interactions energy: -979.822 where: short stacking energy: -439.400 Base-Backbone interact. energy: -2.907 local terms energy: -408.643455 where: bonds (distance) C4'-P energy: -77.189 bonds (distance) P-C4' energy: -69.524 flat angles C4'-P-C4' energy: -94.689 flat angles P-C4'-P energy: -63.221 tors. eta vs tors. theta energy: -104.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1388.204919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.204919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.204919 (E_RNA) where: Base-Base interactions energy: -954.337 where: short stacking energy: -457.532 Base-Backbone interact. energy: -1.105 local terms energy: -432.762300 where: bonds (distance) C4'-P energy: -78.390 bonds (distance) P-C4' energy: -85.640 flat angles C4'-P-C4' energy: -94.976 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: -117.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1204.063010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.063010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.063010 (E_RNA) where: Base-Base interactions energy: -826.864 where: short stacking energy: -396.220 Base-Backbone interact. energy: -2.641 local terms energy: -374.558009 where: bonds (distance) C4'-P energy: -76.747 bonds (distance) P-C4' energy: -84.754 flat angles C4'-P-C4' energy: -85.570 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: -89.929 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: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1022.786473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.786473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.786473 (E_RNA) where: Base-Base interactions energy: -707.791 where: short stacking energy: -331.483 Base-Backbone interact. energy: -0.248 local terms energy: -314.747482 where: bonds (distance) C4'-P energy: -76.589 bonds (distance) P-C4' energy: -78.155 flat angles C4'-P-C4' energy: -59.694 flat angles P-C4'-P energy: -41.635 tors. eta vs tors. theta energy: -58.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1786.879817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.879817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.879817 (E_RNA) where: Base-Base interactions energy: -1268.804 where: short stacking energy: -572.751 Base-Backbone interact. energy: -2.875 local terms energy: -515.200783 where: bonds (distance) C4'-P energy: -96.116 bonds (distance) P-C4' energy: -97.816 flat angles C4'-P-C4' energy: -106.252 flat angles P-C4'-P energy: -67.852 tors. eta vs tors. theta energy: -147.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1777.911028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.911028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.911028 (E_RNA) where: Base-Base interactions energy: -1240.533 where: short stacking energy: -588.176 Base-Backbone interact. energy: -2.430 local terms energy: -534.947973 where: bonds (distance) C4'-P energy: -103.458 bonds (distance) P-C4' energy: -91.472 flat angles C4'-P-C4' energy: -111.001 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -148.875 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: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1704.748245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.748245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.748245 (E_RNA) where: Base-Base interactions energy: -1201.674 where: short stacking energy: -540.681 Base-Backbone interact. energy: -0.735 local terms energy: -502.339498 where: bonds (distance) C4'-P energy: -92.180 bonds (distance) P-C4' energy: -93.446 flat angles C4'-P-C4' energy: -109.314 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -136.663 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: 57 Temperature: 1.050000 Total energy: -1665.706077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.706077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.706077 (E_RNA) where: Base-Base interactions energy: -1195.626 where: short stacking energy: -515.728 Base-Backbone interact. energy: -7.051 local terms energy: -463.028357 where: bonds (distance) C4'-P energy: -92.674 bonds (distance) P-C4' energy: -83.154 flat angles C4'-P-C4' energy: -100.138 flat angles P-C4'-P energy: -60.138 tors. eta vs tors. theta energy: -126.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1659.252673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.252673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.252673 (E_RNA) where: Base-Base interactions energy: -1172.162 where: short stacking energy: -514.812 Base-Backbone interact. energy: -4.102 local terms energy: -482.989183 where: bonds (distance) C4'-P energy: -89.635 bonds (distance) P-C4' energy: -87.205 flat angles C4'-P-C4' energy: -104.195 flat angles P-C4'-P energy: -73.092 tors. eta vs tors. theta energy: -128.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1511.373569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.373569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.373569 (E_RNA) where: Base-Base interactions energy: -1072.220 where: short stacking energy: -462.792 Base-Backbone interact. energy: 0.686 local terms energy: -439.840275 where: bonds (distance) C4'-P energy: -79.688 bonds (distance) P-C4' energy: -83.490 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -118.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1423.944961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.944961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.944961 (E_RNA) where: Base-Base interactions energy: -1019.440 where: short stacking energy: -433.347 Base-Backbone interact. energy: -2.337 local terms energy: -402.167825 where: bonds (distance) C4'-P energy: -81.135 bonds (distance) P-C4' energy: -85.637 flat angles C4'-P-C4' energy: -80.701 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -95.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1357.693500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.693500 (E_RNA) where: Base-Base interactions energy: -961.623 where: short stacking energy: -449.115 Base-Backbone interact. energy: 0.263 local terms energy: -396.333222 where: bonds (distance) C4'-P energy: -68.291 bonds (distance) P-C4' energy: -73.317 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -110.403 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: 9, replica: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1267.505908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.505908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.505908 (E_RNA) where: Base-Base interactions energy: -863.644 where: short stacking energy: -413.172 Base-Backbone interact. energy: -1.735 local terms energy: -402.127061 where: bonds (distance) C4'-P energy: -90.714 bonds (distance) P-C4' energy: -79.932 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -89.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -966.531830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.531830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.531830 (E_RNA) where: Base-Base interactions energy: -637.896 where: short stacking energy: -294.716 Base-Backbone interact. energy: 2.293 local terms energy: -330.928760 where: bonds (distance) C4'-P energy: -70.292 bonds (distance) P-C4' energy: -76.641 flat angles C4'-P-C4' energy: -84.755 flat angles P-C4'-P energy: -35.544 tors. eta vs tors. theta energy: -63.696 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: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1789.420482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.420482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.420482 (E_RNA) where: Base-Base interactions energy: -1253.277 where: short stacking energy: -578.497 Base-Backbone interact. energy: -2.722 local terms energy: -533.421429 where: bonds (distance) C4'-P energy: -90.033 bonds (distance) P-C4' energy: -99.610 flat angles C4'-P-C4' energy: -116.561 flat angles P-C4'-P energy: -78.548 tors. eta vs tors. theta energy: -148.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1744.246352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.246352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.246352 (E_RNA) where: Base-Base interactions energy: -1231.878 where: short stacking energy: -544.643 Base-Backbone interact. energy: -2.201 local terms energy: -510.167530 where: bonds (distance) C4'-P energy: -97.987 bonds (distance) P-C4' energy: -94.729 flat angles C4'-P-C4' energy: -104.096 flat angles P-C4'-P energy: -73.053 tors. eta vs tors. theta energy: -140.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1673.971142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.971142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.971142 (E_RNA) where: Base-Base interactions energy: -1183.178 where: short stacking energy: -524.533 Base-Backbone interact. energy: -1.219 local terms energy: -489.573890 where: bonds (distance) C4'-P energy: -83.745 bonds (distance) P-C4' energy: -90.427 flat angles C4'-P-C4' energy: -113.222 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: -136.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1674.018094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.018094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.018094 (E_RNA) where: Base-Base interactions energy: -1199.072 where: short stacking energy: -508.795 Base-Backbone interact. energy: -1.256 local terms energy: -473.690047 where: bonds (distance) C4'-P energy: -89.219 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -99.163 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -129.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1657.925083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.925083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.925083 (E_RNA) where: Base-Base interactions energy: -1183.683 where: short stacking energy: -506.670 Base-Backbone interact. energy: -2.146 local terms energy: -472.095862 where: bonds (distance) C4'-P energy: -79.350 bonds (distance) P-C4' energy: -84.434 flat angles C4'-P-C4' energy: -94.509 flat angles P-C4'-P energy: -66.668 tors. eta vs tors. theta energy: -147.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1545.678779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.678779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.678779 (E_RNA) where: Base-Base interactions energy: -1118.597 where: short stacking energy: -484.744 Base-Backbone interact. energy: 0.024 local terms energy: -427.106007 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -91.511 flat angles C4'-P-C4' energy: -84.424 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -125.833 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: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1427.219018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.219018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.219018 (E_RNA) where: Base-Base interactions energy: -1011.004 where: short stacking energy: -449.693 Base-Backbone interact. energy: -1.455 local terms energy: -414.760502 where: bonds (distance) C4'-P energy: -69.177 bonds (distance) P-C4' energy: -82.670 flat angles C4'-P-C4' energy: -96.323 flat angles P-C4'-P energy: -57.576 tors. eta vs tors. theta energy: -109.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1345.443128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.443128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.443128 (E_RNA) where: Base-Base interactions energy: -954.089 where: short stacking energy: -445.126 Base-Backbone interact. energy: -2.309 local terms energy: -389.045063 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -56.100 flat angles C4'-P-C4' energy: -98.687 flat angles P-C4'-P energy: -51.546 tors. eta vs tors. theta energy: -113.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1175.675913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.675913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.675913 (E_RNA) where: Base-Base interactions energy: -799.823 where: short stacking energy: -380.112 Base-Backbone interact. energy: -0.402 local terms energy: -375.451097 where: bonds (distance) C4'-P energy: -71.831 bonds (distance) P-C4' energy: -71.810 flat angles C4'-P-C4' energy: -88.965 flat angles P-C4'-P energy: -58.471 tors. eta vs tors. theta energy: -84.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1014.614252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.614252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.614252 (E_RNA) where: Base-Base interactions energy: -667.263 where: short stacking energy: -338.576 Base-Backbone interact. energy: 1.187 local terms energy: -348.538875 where: bonds (distance) C4'-P energy: -66.911 bonds (distance) P-C4' energy: -85.733 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -36.532 tors. eta vs tors. theta energy: -69.486 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: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1802.091327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.091327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.091327 (E_RNA) where: Base-Base interactions energy: -1261.919 where: short stacking energy: -594.979 Base-Backbone interact. energy: -0.958 local terms energy: -539.213775 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -93.929 flat angles C4'-P-C4' energy: -115.802 flat angles P-C4'-P energy: -73.217 tors. eta vs tors. theta energy: -156.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1736.412642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.412642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.412642 (E_RNA) where: Base-Base interactions energy: -1260.540 where: short stacking energy: -558.777 Base-Backbone interact. energy: -4.067 local terms energy: -471.805875 where: bonds (distance) C4'-P energy: -87.394 bonds (distance) P-C4' energy: -96.643 flat angles C4'-P-C4' energy: -99.855 flat angles P-C4'-P energy: -47.236 tors. eta vs tors. theta energy: -140.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1685.645148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.645148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.645148 (E_RNA) where: Base-Base interactions energy: -1200.559 where: short stacking energy: -530.110 Base-Backbone interact. energy: -0.523 local terms energy: -484.563558 where: bonds (distance) C4'-P energy: -88.824 bonds (distance) P-C4' energy: -79.726 flat angles C4'-P-C4' energy: -107.112 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -138.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1675.967769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.967769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.967769 (E_RNA) where: Base-Base interactions energy: -1208.179 where: short stacking energy: -525.164 Base-Backbone interact. energy: -1.080 local terms energy: -466.708469 where: bonds (distance) C4'-P energy: -81.077 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -103.425 flat angles P-C4'-P energy: -63.253 tors. eta vs tors. theta energy: -134.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1675.823524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.823524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.823524 (E_RNA) where: Base-Base interactions energy: -1220.707 where: short stacking energy: -525.483 Base-Backbone interact. energy: -3.765 local terms energy: -451.350909 where: bonds (distance) C4'-P energy: -76.537 bonds (distance) P-C4' energy: -81.037 flat angles C4'-P-C4' energy: -97.869 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -128.618 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: 59 Temperature: 1.150000 Total energy: -1524.572198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.572198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.572198 (E_RNA) where: Base-Base interactions energy: -1066.050 where: short stacking energy: -460.978 Base-Backbone interact. energy: -3.134 local terms energy: -455.388568 where: bonds (distance) C4'-P energy: -93.859 bonds (distance) P-C4' energy: -84.441 flat angles C4'-P-C4' energy: -101.628 flat angles P-C4'-P energy: -55.260 tors. eta vs tors. theta energy: -120.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1415.750381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.750381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.750381 (E_RNA) where: Base-Base interactions energy: -985.931 where: short stacking energy: -437.364 Base-Backbone interact. energy: -1.615 local terms energy: -428.204245 where: bonds (distance) C4'-P energy: -80.574 bonds (distance) P-C4' energy: -86.925 flat angles C4'-P-C4' energy: -106.008 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -111.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1347.716001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.716001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.716001 (E_RNA) where: Base-Base interactions energy: -962.108 where: short stacking energy: -454.075 Base-Backbone interact. energy: -0.645 local terms energy: -384.962881 where: bonds (distance) C4'-P energy: -72.798 bonds (distance) P-C4' energy: -67.544 flat angles C4'-P-C4' energy: -90.507 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -106.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1180.098141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.098141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.098141 (E_RNA) where: Base-Base interactions energy: -822.556 where: short stacking energy: -365.911 Base-Backbone interact. energy: -1.666 local terms energy: -355.876326 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -56.826 flat angles C4'-P-C4' energy: -78.623 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: -100.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1024.362461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.362461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.362461 (E_RNA) where: Base-Base interactions energy: -753.996 where: short stacking energy: -331.873 Base-Backbone interact. energy: 2.987 local terms energy: -273.354133 where: bonds (distance) C4'-P energy: -75.773 bonds (distance) P-C4' energy: -43.621 flat angles C4'-P-C4' energy: -68.065 flat angles P-C4'-P energy: -31.734 tors. eta vs tors. theta energy: -54.163 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: 60 Temperature: 0.900000 Total energy: -1765.176116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.176116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.176116 (E_RNA) where: Base-Base interactions energy: -1245.192 where: short stacking energy: -571.969 Base-Backbone interact. energy: -1.349 local terms energy: -518.635024 where: bonds (distance) C4'-P energy: -95.342 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -106.550 flat angles P-C4'-P energy: -73.440 tors. eta vs tors. theta energy: -149.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1730.345885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.345885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.345885 (E_RNA) where: Base-Base interactions energy: -1255.609 where: short stacking energy: -536.568 Base-Backbone interact. energy: 1.244 local terms energy: -475.981151 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -89.407 flat angles C4'-P-C4' energy: -102.756 flat angles P-C4'-P energy: -69.534 tors. eta vs tors. theta energy: -130.136 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: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1684.196569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.196569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.196569 (E_RNA) where: Base-Base interactions energy: -1205.824 where: short stacking energy: -546.696 Base-Backbone interact. energy: -0.703 local terms energy: -477.670046 where: bonds (distance) C4'-P energy: -83.608 bonds (distance) P-C4' energy: -82.335 flat angles C4'-P-C4' energy: -102.487 flat angles P-C4'-P energy: -74.293 tors. eta vs tors. theta energy: -134.947 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: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1629.537544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.537544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.537544 (E_RNA) where: Base-Base interactions energy: -1159.592 where: short stacking energy: -514.865 Base-Backbone interact. energy: -2.260 local terms energy: -467.685404 where: bonds (distance) C4'-P energy: -78.842 bonds (distance) P-C4' energy: -94.026 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -63.053 tors. eta vs tors. theta energy: -126.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1675.623102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.623102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.623102 (E_RNA) where: Base-Base interactions energy: -1225.815 where: short stacking energy: -555.748 Base-Backbone interact. energy: -2.324 local terms energy: -447.483635 where: bonds (distance) C4'-P energy: -78.638 bonds (distance) P-C4' energy: -78.233 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -55.633 tors. eta vs tors. theta energy: -138.939 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: 60 Temperature: 1.150000 Total energy: -1543.065267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.065267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.065267 (E_RNA) where: Base-Base interactions energy: -1108.924 where: short stacking energy: -495.507 Base-Backbone interact. energy: -1.028 local terms energy: -433.113267 where: bonds (distance) C4'-P energy: -89.410 bonds (distance) P-C4' energy: -71.674 flat angles C4'-P-C4' energy: -97.858 flat angles P-C4'-P energy: -52.084 tors. eta vs tors. theta energy: -122.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1410.892286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.892286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.892286 (E_RNA) where: Base-Base interactions energy: -994.168 where: short stacking energy: -430.322 Base-Backbone interact. energy: -1.966 local terms energy: -414.758536 where: bonds (distance) C4'-P energy: -67.595 bonds (distance) P-C4' energy: -86.195 flat angles C4'-P-C4' energy: -81.152 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -115.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1339.955786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.955786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.955786 (E_RNA) where: Base-Base interactions energy: -937.475 where: short stacking energy: -445.470 Base-Backbone interact. energy: -1.798 local terms energy: -400.682192 where: bonds (distance) C4'-P energy: -74.380 bonds (distance) P-C4' energy: -79.202 flat angles C4'-P-C4' energy: -82.963 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -104.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1253.634497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.634497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.634497 (E_RNA) where: Base-Base interactions energy: -858.301 where: short stacking energy: -404.551 Base-Backbone interact. energy: -1.387 local terms energy: -393.947262 where: bonds (distance) C4'-P energy: -75.304 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -89.914 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: -102.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1023.775738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.775738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.775738 (E_RNA) where: Base-Base interactions energy: -670.622 where: short stacking energy: -326.283 Base-Backbone interact. energy: -3.186 local terms energy: -349.967869 where: bonds (distance) C4'-P energy: -81.061 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -38.924 tors. eta vs tors. theta energy: -79.900 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: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1772.411625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.411625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.411625 (E_RNA) where: Base-Base interactions energy: -1240.928 where: short stacking energy: -578.179 Base-Backbone interact. energy: -2.487 local terms energy: -528.996483 where: bonds (distance) C4'-P energy: -102.593 bonds (distance) P-C4' energy: -92.250 flat angles C4'-P-C4' energy: -108.219 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -149.101 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: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1750.651170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.651170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.651170 (E_RNA) where: Base-Base interactions energy: -1266.508 where: short stacking energy: -549.123 Base-Backbone interact. energy: -3.526 local terms energy: -480.616882 where: bonds (distance) C4'-P energy: -92.004 bonds (distance) P-C4' energy: -87.960 flat angles C4'-P-C4' energy: -102.060 flat angles P-C4'-P energy: -60.623 tors. eta vs tors. theta energy: -137.970 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: 61 Temperature: 1.000000 Total energy: -1719.675922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.675922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.675922 (E_RNA) where: Base-Base interactions energy: -1227.839 where: short stacking energy: -540.990 Base-Backbone interact. energy: 1.440 local terms energy: -493.276901 where: bonds (distance) C4'-P energy: -85.989 bonds (distance) P-C4' energy: -98.994 flat angles C4'-P-C4' energy: -105.469 flat angles P-C4'-P energy: -70.878 tors. eta vs tors. theta energy: -131.947 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: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1720.750964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.750964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.750964 (E_RNA) where: Base-Base interactions energy: -1249.802 where: short stacking energy: -534.937 Base-Backbone interact. energy: 0.126 local terms energy: -471.075271 where: bonds (distance) C4'-P energy: -87.386 bonds (distance) P-C4' energy: -87.420 flat angles C4'-P-C4' energy: -88.177 flat angles P-C4'-P energy: -69.290 tors. eta vs tors. theta energy: -138.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1606.379842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.379842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.379842 (E_RNA) where: Base-Base interactions energy: -1148.963 where: short stacking energy: -536.425 Base-Backbone interact. energy: -1.558 local terms energy: -455.858867 where: bonds (distance) C4'-P energy: -73.653 bonds (distance) P-C4' energy: -76.628 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -138.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1564.320166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.320166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.320166 (E_RNA) where: Base-Base interactions energy: -1103.173 where: short stacking energy: -501.024 Base-Backbone interact. energy: -1.833 local terms energy: -459.314600 where: bonds (distance) C4'-P energy: -81.443 bonds (distance) P-C4' energy: -86.094 flat angles C4'-P-C4' energy: -100.187 flat angles P-C4'-P energy: -72.170 tors. eta vs tors. theta energy: -119.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1429.485432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.485432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.485432 (E_RNA) where: Base-Base interactions energy: -1008.913 where: short stacking energy: -425.496 Base-Backbone interact. energy: -3.665 local terms energy: -416.907058 where: bonds (distance) C4'-P energy: -84.129 bonds (distance) P-C4' energy: -78.752 flat angles C4'-P-C4' energy: -81.074 flat angles P-C4'-P energy: -71.292 tors. eta vs tors. theta energy: -101.661 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: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1346.223158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.223158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.223158 (E_RNA) where: Base-Base interactions energy: -933.119 where: short stacking energy: -453.925 Base-Backbone interact. energy: -2.303 local terms energy: -410.801697 where: bonds (distance) C4'-P energy: -50.596 bonds (distance) P-C4' energy: -87.764 flat angles C4'-P-C4' energy: -87.903 flat angles P-C4'-P energy: -66.489 tors. eta vs tors. theta energy: -118.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1216.690186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.690186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.690186 (E_RNA) where: Base-Base interactions energy: -831.617 where: short stacking energy: -374.138 Base-Backbone interact. energy: -1.866 local terms energy: -383.207468 where: bonds (distance) C4'-P energy: -64.785 bonds (distance) P-C4' energy: -94.991 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1070.595159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.595159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.595159 (E_RNA) where: Base-Base interactions energy: -720.556 where: short stacking energy: -343.781 Base-Backbone interact. energy: -0.459 local terms energy: -349.580630 where: bonds (distance) C4'-P energy: -86.295 bonds (distance) P-C4' energy: -71.637 flat angles C4'-P-C4' energy: -79.680 flat angles P-C4'-P energy: -36.762 tors. eta vs tors. theta energy: -75.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1801.763992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.763992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.763992 (E_RNA) where: Base-Base interactions energy: -1291.265 where: short stacking energy: -553.144 Base-Backbone interact. energy: -4.467 local terms energy: -506.031133 where: bonds (distance) C4'-P energy: -94.035 bonds (distance) P-C4' energy: -93.478 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -74.097 tors. eta vs tors. theta energy: -142.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1732.188043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.188043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.188043 (E_RNA) where: Base-Base interactions energy: -1220.381 where: short stacking energy: -577.583 Base-Backbone interact. energy: -0.570 local terms energy: -511.237173 where: bonds (distance) C4'-P energy: -99.041 bonds (distance) P-C4' energy: -84.905 flat angles C4'-P-C4' energy: -110.843 flat angles P-C4'-P energy: -73.470 tors. eta vs tors. theta energy: -142.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1731.019465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.019465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.019465 (E_RNA) where: Base-Base interactions energy: -1269.905 where: short stacking energy: -556.718 Base-Backbone interact. energy: 0.168 local terms energy: -461.282770 where: bonds (distance) C4'-P energy: -82.784 bonds (distance) P-C4' energy: -89.255 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -59.449 tors. eta vs tors. theta energy: -134.298 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: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1661.377710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.377710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.377710 (E_RNA) where: Base-Base interactions energy: -1187.327 where: short stacking energy: -520.452 Base-Backbone interact. energy: -3.868 local terms energy: -470.183038 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -84.948 flat angles C4'-P-C4' energy: -98.296 flat angles P-C4'-P energy: -72.616 tors. eta vs tors. theta energy: -130.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1589.732846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.732846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.732846 (E_RNA) where: Base-Base interactions energy: -1117.056 where: short stacking energy: -504.558 Base-Backbone interact. energy: -1.611 local terms energy: -471.065924 where: bonds (distance) C4'-P energy: -84.277 bonds (distance) P-C4' energy: -76.829 flat angles C4'-P-C4' energy: -105.898 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -135.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1515.947586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.947586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.947586 (E_RNA) where: Base-Base interactions energy: -1089.777 where: short stacking energy: -500.432 Base-Backbone interact. energy: -1.486 local terms energy: -424.684573 where: bonds (distance) C4'-P energy: -80.390 bonds (distance) P-C4' energy: -74.380 flat angles C4'-P-C4' energy: -94.205 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -117.700 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: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1430.440111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.440111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.440111 (E_RNA) where: Base-Base interactions energy: -1040.669 where: short stacking energy: -479.974 Base-Backbone interact. energy: -2.206 local terms energy: -387.565398 where: bonds (distance) C4'-P energy: -66.205 bonds (distance) P-C4' energy: -70.315 flat angles C4'-P-C4' energy: -87.801 flat angles P-C4'-P energy: -52.939 tors. eta vs tors. theta energy: -110.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1378.380992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.380992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.380992 (E_RNA) where: Base-Base interactions energy: -955.591 where: short stacking energy: -448.463 Base-Backbone interact. energy: -1.401 local terms energy: -421.388367 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -92.826 flat angles C4'-P-C4' energy: -101.090 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -113.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1307.831491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.831491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.831491 (E_RNA) where: Base-Base interactions energy: -898.951 where: short stacking energy: -402.971 Base-Backbone interact. energy: 2.219 local terms energy: -411.099924 where: bonds (distance) C4'-P energy: -81.952 bonds (distance) P-C4' energy: -72.989 flat angles C4'-P-C4' energy: -90.358 flat angles P-C4'-P energy: -61.881 tors. eta vs tors. theta energy: -103.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1034.313769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.313769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.313769 (E_RNA) where: Base-Base interactions energy: -705.899 where: short stacking energy: -342.118 Base-Backbone interact. energy: -1.536 local terms energy: -326.877884 where: bonds (distance) C4'-P energy: -77.211 bonds (distance) P-C4' energy: -73.992 flat angles C4'-P-C4' energy: -78.402 flat angles P-C4'-P energy: -24.779 tors. eta vs tors. theta energy: -72.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1809.357371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.357371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.357371 (E_RNA) where: Base-Base interactions energy: -1286.339 where: short stacking energy: -548.088 Base-Backbone interact. energy: -3.806 local terms energy: -519.212840 where: bonds (distance) C4'-P energy: -84.865 bonds (distance) P-C4' energy: -93.887 flat angles C4'-P-C4' energy: -113.830 flat angles P-C4'-P energy: -86.633 tors. eta vs tors. theta energy: -139.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1788.087828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.087828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.087828 (E_RNA) where: Base-Base interactions energy: -1289.484 where: short stacking energy: -565.736 Base-Backbone interact. energy: 0.116 local terms energy: -498.719302 where: bonds (distance) C4'-P energy: -90.783 bonds (distance) P-C4' energy: -91.451 flat angles C4'-P-C4' energy: -108.137 flat angles P-C4'-P energy: -68.830 tors. eta vs tors. theta energy: -139.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1708.799730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.799730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.799730 (E_RNA) where: Base-Base interactions energy: -1201.430 where: short stacking energy: -571.341 Base-Backbone interact. energy: -0.979 local terms energy: -506.391276 where: bonds (distance) C4'-P energy: -88.912 bonds (distance) P-C4' energy: -96.034 flat angles C4'-P-C4' energy: -104.402 flat angles P-C4'-P energy: -71.921 tors. eta vs tors. theta energy: -145.123 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: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1650.561975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.561975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.561975 (E_RNA) where: Base-Base interactions energy: -1172.894 where: short stacking energy: -524.001 Base-Backbone interact. energy: -2.026 local terms energy: -475.641919 where: bonds (distance) C4'-P energy: -93.350 bonds (distance) P-C4' energy: -99.203 flat angles C4'-P-C4' energy: -97.438 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -129.669 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: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1619.219285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.219285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.219285 (E_RNA) where: Base-Base interactions energy: -1157.612 where: short stacking energy: -528.949 Base-Backbone interact. energy: -5.465 local terms energy: -456.142341 where: bonds (distance) C4'-P energy: -84.135 bonds (distance) P-C4' energy: -73.674 flat angles C4'-P-C4' energy: -91.406 flat angles P-C4'-P energy: -67.418 tors. eta vs tors. theta energy: -139.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1557.112858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.112858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.112858 (E_RNA) where: Base-Base interactions energy: -1110.433 where: short stacking energy: -502.458 Base-Backbone interact. energy: -1.603 local terms energy: -445.077142 where: bonds (distance) C4'-P energy: -95.305 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -102.719 flat angles P-C4'-P energy: -56.008 tors. eta vs tors. theta energy: -115.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1439.877873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.877873 (E_RNA) where: Base-Base interactions energy: -1037.919 where: short stacking energy: -455.329 Base-Backbone interact. energy: -0.664 local terms energy: -401.294624 where: bonds (distance) C4'-P energy: -74.924 bonds (distance) P-C4' energy: -75.267 flat angles C4'-P-C4' energy: -79.389 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -112.582 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: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1339.907829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.907829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.907829 (E_RNA) where: Base-Base interactions energy: -930.559 where: short stacking energy: -417.388 Base-Backbone interact. energy: -0.940 local terms energy: -408.408590 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -92.736 flat angles P-C4'-P energy: -43.533 tors. eta vs tors. theta energy: -116.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1310.552473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.552473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.552473 (E_RNA) where: Base-Base interactions energy: -911.189 where: short stacking energy: -431.677 Base-Backbone interact. energy: -4.511 local terms energy: -394.853188 where: bonds (distance) C4'-P energy: -71.888 bonds (distance) P-C4' energy: -73.996 flat angles C4'-P-C4' energy: -84.533 flat angles P-C4'-P energy: -53.526 tors. eta vs tors. theta energy: -110.911 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1088.736026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.736026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.736026 (E_RNA) where: Base-Base interactions energy: -744.524 where: short stacking energy: -361.568 Base-Backbone interact. energy: -1.123 local terms energy: -343.089126 where: bonds (distance) C4'-P energy: -61.653 bonds (distance) P-C4' energy: -76.428 flat angles C4'-P-C4' energy: -83.738 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: -74.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1801.384630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.384630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.384630 (E_RNA) where: Base-Base interactions energy: -1279.784 where: short stacking energy: -563.616 Base-Backbone interact. energy: -3.568 local terms energy: -518.032852 where: bonds (distance) C4'-P energy: -94.413 bonds (distance) P-C4' energy: -95.933 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -142.609 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: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1786.671643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.671643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.671643 (E_RNA) where: Base-Base interactions energy: -1288.186 where: short stacking energy: -573.447 Base-Backbone interact. energy: -0.832 local terms energy: -497.653322 where: bonds (distance) C4'-P energy: -83.663 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -110.838 flat angles P-C4'-P energy: -66.719 tors. eta vs tors. theta energy: -139.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1712.025202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.025202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.025202 (E_RNA) where: Base-Base interactions energy: -1207.559 where: short stacking energy: -574.467 Base-Backbone interact. energy: -1.800 local terms energy: -502.666332 where: bonds (distance) C4'-P energy: -89.512 bonds (distance) P-C4' energy: -78.954 flat angles C4'-P-C4' energy: -112.663 flat angles P-C4'-P energy: -75.599 tors. eta vs tors. theta energy: -145.937 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: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1657.768787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.768787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.768787 (E_RNA) where: Base-Base interactions energy: -1194.574 where: short stacking energy: -521.263 Base-Backbone interact. energy: -0.642 local terms energy: -462.552846 where: bonds (distance) C4'-P energy: -88.203 bonds (distance) P-C4' energy: -90.419 flat angles C4'-P-C4' energy: -94.339 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -132.874 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: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1566.920528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.920528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.920528 (E_RNA) where: Base-Base interactions energy: -1123.149 where: short stacking energy: -483.748 Base-Backbone interact. energy: -1.717 local terms energy: -442.055036 where: bonds (distance) C4'-P energy: -89.894 bonds (distance) P-C4' energy: -92.478 flat angles C4'-P-C4' energy: -94.421 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: -114.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1569.076745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.076745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.076745 (E_RNA) where: Base-Base interactions energy: -1117.693 where: short stacking energy: -492.874 Base-Backbone interact. energy: -0.862 local terms energy: -450.521479 where: bonds (distance) C4'-P energy: -71.245 bonds (distance) P-C4' energy: -90.314 flat angles C4'-P-C4' energy: -103.008 flat angles P-C4'-P energy: -55.173 tors. eta vs tors. theta energy: -130.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1486.002274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.002274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.002274 (E_RNA) where: Base-Base interactions energy: -1078.475 where: short stacking energy: -443.107 Base-Backbone interact. energy: -2.483 local terms energy: -405.043667 where: bonds (distance) C4'-P energy: -75.873 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -87.686 flat angles P-C4'-P energy: -34.853 tors. eta vs tors. theta energy: -120.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1351.811390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.811390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.811390 (E_RNA) where: Base-Base interactions energy: -951.380 where: short stacking energy: -439.920 Base-Backbone interact. energy: -0.064 local terms energy: -400.367597 where: bonds (distance) C4'-P energy: -68.720 bonds (distance) P-C4' energy: -81.430 flat angles C4'-P-C4' energy: -90.020 flat angles P-C4'-P energy: -51.250 tors. eta vs tors. theta energy: -108.949 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: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1318.526510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.526510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.526510 (E_RNA) where: Base-Base interactions energy: -923.219 where: short stacking energy: -437.430 Base-Backbone interact. energy: -0.247 local terms energy: -395.060164 where: bonds (distance) C4'-P energy: -79.391 bonds (distance) P-C4' energy: -70.904 flat angles C4'-P-C4' energy: -87.233 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -108.561 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1076.837488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.837488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.837488 (E_RNA) where: Base-Base interactions energy: -729.695 where: short stacking energy: -315.690 Base-Backbone interact. energy: -1.402 local terms energy: -345.740698 where: bonds (distance) C4'-P energy: -66.290 bonds (distance) P-C4' energy: -80.904 flat angles C4'-P-C4' energy: -75.592 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: -74.086 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: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1827.122717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.122717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.122717 (E_RNA) where: Base-Base interactions energy: -1309.105 where: short stacking energy: -580.457 Base-Backbone interact. energy: 1.638 local terms energy: -519.655281 where: bonds (distance) C4'-P energy: -103.913 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -113.068 flat angles P-C4'-P energy: -75.494 tors. eta vs tors. theta energy: -147.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1783.323833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.323833 (E_RNA) where: Base-Base interactions energy: -1280.150 where: short stacking energy: -575.722 Base-Backbone interact. energy: -1.242 local terms energy: -501.931985 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -96.212 flat angles C4'-P-C4' energy: -101.355 flat angles P-C4'-P energy: -77.639 tors. eta vs tors. theta energy: -142.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1726.136230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.136230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.136230 (E_RNA) where: Base-Base interactions energy: -1216.755 where: short stacking energy: -572.789 Base-Backbone interact. energy: -1.906 local terms energy: -507.475159 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -99.183 flat angles C4'-P-C4' energy: -104.766 flat angles P-C4'-P energy: -73.795 tors. eta vs tors. theta energy: -146.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1611.173548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.173548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.173548 (E_RNA) where: Base-Base interactions energy: -1141.501 where: short stacking energy: -493.342 Base-Backbone interact. energy: -3.139 local terms energy: -466.533912 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -85.187 flat angles C4'-P-C4' energy: -99.680 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: -120.862 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: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1615.498570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.498570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.498570 (E_RNA) where: Base-Base interactions energy: -1167.765 where: short stacking energy: -526.688 Base-Backbone interact. energy: 3.270 local terms energy: -451.004061 where: bonds (distance) C4'-P energy: -78.457 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -75.924 tors. eta vs tors. theta energy: -131.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1523.505354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.505354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.505354 (E_RNA) where: Base-Base interactions energy: -1086.162 where: short stacking energy: -481.542 Base-Backbone interact. energy: -1.377 local terms energy: -435.966245 where: bonds (distance) C4'-P energy: -67.339 bonds (distance) P-C4' energy: -73.530 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -128.275 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: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1465.470960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.470960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.470960 (E_RNA) where: Base-Base interactions energy: -1037.415 where: short stacking energy: -445.597 Base-Backbone interact. energy: -1.303 local terms energy: -426.752404 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -98.123 flat angles C4'-P-C4' energy: -86.865 flat angles P-C4'-P energy: -56.214 tors. eta vs tors. theta energy: -112.119 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: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1325.737187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.737187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.737187 (E_RNA) where: Base-Base interactions energy: -930.983 where: short stacking energy: -443.478 Base-Backbone interact. energy: 0.443 local terms energy: -395.196980 where: bonds (distance) C4'-P energy: -82.275 bonds (distance) P-C4' energy: -81.670 flat angles C4'-P-C4' energy: -84.757 flat angles P-C4'-P energy: -50.789 tors. eta vs tors. theta energy: -95.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1346.163241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.163241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.163241 (E_RNA) where: Base-Base interactions energy: -926.790 where: short stacking energy: -422.448 Base-Backbone interact. energy: 2.536 local terms energy: -421.909199 where: bonds (distance) C4'-P energy: -83.598 bonds (distance) P-C4' energy: -79.887 flat angles C4'-P-C4' energy: -95.220 flat angles P-C4'-P energy: -55.187 tors. eta vs tors. theta energy: -108.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1158.734014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.734014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.734014 (E_RNA) where: Base-Base interactions energy: -783.858 where: short stacking energy: -384.841 Base-Backbone interact. energy: 0.836 local terms energy: -375.712539 where: bonds (distance) C4'-P energy: -83.411 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -77.554 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: -81.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1820.778767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.778767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.778767 (E_RNA) where: Base-Base interactions energy: -1319.181 where: short stacking energy: -576.550 Base-Backbone interact. energy: -2.369 local terms energy: -499.229399 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -110.135 flat angles P-C4'-P energy: -76.092 tors. eta vs tors. theta energy: -141.329 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: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1780.775673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.775673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.775673 (E_RNA) where: Base-Base interactions energy: -1289.871 where: short stacking energy: -566.106 Base-Backbone interact. energy: -1.900 local terms energy: -489.004962 where: bonds (distance) C4'-P energy: -88.848 bonds (distance) P-C4' energy: -86.629 flat angles C4'-P-C4' energy: -106.473 flat angles P-C4'-P energy: -60.519 tors. eta vs tors. theta energy: -146.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1708.875670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.875670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.875670 (E_RNA) where: Base-Base interactions energy: -1198.671 where: short stacking energy: -571.423 Base-Backbone interact. energy: -1.935 local terms energy: -508.270163 where: bonds (distance) C4'-P energy: -88.142 bonds (distance) P-C4' energy: -86.468 flat angles C4'-P-C4' energy: -108.340 flat angles P-C4'-P energy: -73.408 tors. eta vs tors. theta energy: -151.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1638.570848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.570848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.570848 (E_RNA) where: Base-Base interactions energy: -1161.916 where: short stacking energy: -536.662 Base-Backbone interact. energy: -2.533 local terms energy: -474.121624 where: bonds (distance) C4'-P energy: -91.107 bonds (distance) P-C4' energy: -92.252 flat angles C4'-P-C4' energy: -103.910 flat angles P-C4'-P energy: -55.775 tors. eta vs tors. theta energy: -131.078 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: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1614.040079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.040079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.040079 (E_RNA) where: Base-Base interactions energy: -1153.035 where: short stacking energy: -517.001 Base-Backbone interact. energy: -4.832 local terms energy: -456.173441 where: bonds (distance) C4'-P energy: -80.458 bonds (distance) P-C4' energy: -76.495 flat angles C4'-P-C4' energy: -102.426 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -127.839 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: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1537.049426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.049426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.049426 (E_RNA) where: Base-Base interactions energy: -1080.753 where: short stacking energy: -479.688 Base-Backbone interact. energy: -1.616 local terms energy: -454.680582 where: bonds (distance) C4'-P energy: -96.241 bonds (distance) P-C4' energy: -68.698 flat angles C4'-P-C4' energy: -97.435 flat angles P-C4'-P energy: -65.339 tors. eta vs tors. theta energy: -126.967 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: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1481.042142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.042142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.042142 (E_RNA) where: Base-Base interactions energy: -1048.102 where: short stacking energy: -452.481 Base-Backbone interact. energy: -2.283 local terms energy: -430.657322 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -88.359 flat angles C4'-P-C4' energy: -95.077 flat angles P-C4'-P energy: -71.141 tors. eta vs tors. theta energy: -109.600 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: 66 Temperature: 1.250000 Total energy: -1358.864501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.864501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.864501 (E_RNA) where: Base-Base interactions energy: -961.913 where: short stacking energy: -426.089 Base-Backbone interact. energy: 0.759 local terms energy: -397.710279 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -80.081 flat angles C4'-P-C4' energy: -92.984 flat angles P-C4'-P energy: -61.445 tors. eta vs tors. theta energy: -86.200 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: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1343.215916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.215916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.215916 (E_RNA) where: Base-Base interactions energy: -971.109 where: short stacking energy: -419.287 Base-Backbone interact. energy: -0.176 local terms energy: -371.930939 where: bonds (distance) C4'-P energy: -72.108 bonds (distance) P-C4' energy: -71.588 flat angles C4'-P-C4' energy: -72.900 flat angles P-C4'-P energy: -43.036 tors. eta vs tors. theta energy: -112.299 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: 66 Temperature: 1.350000 Total energy: -1185.817979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.817979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.817979 (E_RNA) where: Base-Base interactions energy: -852.179 where: short stacking energy: -399.677 Base-Backbone interact. energy: -2.037 local terms energy: -331.602629 where: bonds (distance) C4'-P energy: -56.190 bonds (distance) P-C4' energy: -75.520 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -35.317 tors. eta vs tors. theta energy: -91.578 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: 1, replica: 1 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1803.731624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.731624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.731624 (E_RNA) where: Base-Base interactions energy: -1301.567 where: short stacking energy: -557.234 Base-Backbone interact. energy: -0.600 local terms energy: -501.564941 where: bonds (distance) C4'-P energy: -89.135 bonds (distance) P-C4' energy: -92.869 flat angles C4'-P-C4' energy: -110.503 flat angles P-C4'-P energy: -73.189 tors. eta vs tors. theta energy: -135.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1791.543465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.543465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.543465 (E_RNA) where: Base-Base interactions energy: -1297.593 where: short stacking energy: -555.956 Base-Backbone interact. energy: -2.366 local terms energy: -491.584653 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -90.110 flat angles C4'-P-C4' energy: -109.670 flat angles P-C4'-P energy: -68.528 tors. eta vs tors. theta energy: -143.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1707.057313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.057313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.057313 (E_RNA) where: Base-Base interactions energy: -1209.533 where: short stacking energy: -571.072 Base-Backbone interact. energy: -0.915 local terms energy: -496.609374 where: bonds (distance) C4'-P energy: -83.011 bonds (distance) P-C4' energy: -95.256 flat angles C4'-P-C4' energy: -109.874 flat angles P-C4'-P energy: -68.411 tors. eta vs tors. theta energy: -140.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1690.662665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.662665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.662665 (E_RNA) where: Base-Base interactions energy: -1187.480 where: short stacking energy: -527.195 Base-Backbone interact. energy: -1.387 local terms energy: -501.795637 where: bonds (distance) C4'-P energy: -93.429 bonds (distance) P-C4' energy: -85.687 flat angles C4'-P-C4' energy: -107.746 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: -140.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1579.530262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.530262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.530262 (E_RNA) where: Base-Base interactions energy: -1122.451 where: short stacking energy: -502.358 Base-Backbone interact. energy: -1.497 local terms energy: -455.582192 where: bonds (distance) C4'-P energy: -85.975 bonds (distance) P-C4' energy: -93.295 flat angles C4'-P-C4' energy: -96.508 flat angles P-C4'-P energy: -51.493 tors. eta vs tors. theta energy: -128.312 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1565.985639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.985639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.985639 (E_RNA) where: Base-Base interactions energy: -1105.541 where: short stacking energy: -508.705 Base-Backbone interact. energy: -0.742 local terms energy: -459.702446 where: bonds (distance) C4'-P energy: -73.774 bonds (distance) P-C4' energy: -92.129 flat angles C4'-P-C4' energy: -94.286 flat angles P-C4'-P energy: -60.306 tors. eta vs tors. theta energy: -139.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1465.885593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.885593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.885593 (E_RNA) where: Base-Base interactions energy: -1036.126 where: short stacking energy: -461.622 Base-Backbone interact. energy: -1.543 local terms energy: -428.215829 where: bonds (distance) C4'-P energy: -71.529 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -94.538 flat angles P-C4'-P energy: -65.952 tors. eta vs tors. theta energy: -122.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1392.913565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.913565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.913565 (E_RNA) where: Base-Base interactions energy: -985.736 where: short stacking energy: -453.136 Base-Backbone interact. energy: -1.205 local terms energy: -405.972889 where: bonds (distance) C4'-P energy: -65.603 bonds (distance) P-C4' energy: -85.656 flat angles C4'-P-C4' energy: -94.007 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -108.505 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: 67 Temperature: 1.300000 Total energy: -1253.552072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.552072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.552072 (E_RNA) where: Base-Base interactions energy: -878.831 where: short stacking energy: -413.067 Base-Backbone interact. energy: 0.566 local terms energy: -375.287021 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -81.547 flat angles C4'-P-C4' energy: -81.504 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -91.679 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: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1208.617808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.617808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.617808 (E_RNA) where: Base-Base interactions energy: -841.937 where: short stacking energy: -374.917 Base-Backbone interact. energy: 2.000 local terms energy: -368.680849 where: bonds (distance) C4'-P energy: -71.591 bonds (distance) P-C4' energy: -77.870 flat angles C4'-P-C4' energy: -82.581 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -90.017 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: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1837.145075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.145075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.145075 (E_RNA) where: Base-Base interactions energy: -1333.439 where: short stacking energy: -577.423 Base-Backbone interact. energy: -0.088 local terms energy: -503.617762 where: bonds (distance) C4'-P energy: -90.873 bonds (distance) P-C4' energy: -89.299 flat angles C4'-P-C4' energy: -112.558 flat angles P-C4'-P energy: -69.338 tors. eta vs tors. theta energy: -141.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1758.683455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.683455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.683455 (E_RNA) where: Base-Base interactions energy: -1250.925 where: short stacking energy: -565.204 Base-Backbone interact. energy: 1.016 local terms energy: -508.774511 where: bonds (distance) C4'-P energy: -94.510 bonds (distance) P-C4' energy: -103.255 flat angles C4'-P-C4' energy: -109.143 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -143.312 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: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1705.190972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.190972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.190972 (E_RNA) where: Base-Base interactions energy: -1215.111 where: short stacking energy: -576.294 Base-Backbone interact. energy: -1.652 local terms energy: -488.428619 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -82.319 flat angles C4'-P-C4' energy: -102.723 flat angles P-C4'-P energy: -65.108 tors. eta vs tors. theta energy: -148.222 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: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1657.975094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.975094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.975094 (E_RNA) where: Base-Base interactions energy: -1172.599 where: short stacking energy: -513.290 Base-Backbone interact. energy: -1.668 local terms energy: -483.708489 where: bonds (distance) C4'-P energy: -95.871 bonds (distance) P-C4' energy: -78.968 flat angles C4'-P-C4' energy: -100.316 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -129.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1560.285950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.285950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.285950 (E_RNA) where: Base-Base interactions energy: -1086.522 where: short stacking energy: -500.485 Base-Backbone interact. energy: -1.921 local terms energy: -471.842950 where: bonds (distance) C4'-P energy: -88.523 bonds (distance) P-C4' energy: -94.132 flat angles C4'-P-C4' energy: -92.348 flat angles P-C4'-P energy: -65.234 tors. eta vs tors. theta energy: -131.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1525.384101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.384101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.384101 (E_RNA) where: Base-Base interactions energy: -1081.690 where: short stacking energy: -497.141 Base-Backbone interact. energy: -1.472 local terms energy: -442.221865 where: bonds (distance) C4'-P energy: -83.151 bonds (distance) P-C4' energy: -75.513 flat angles C4'-P-C4' energy: -90.542 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -136.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1520.012231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.012231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.012231 (E_RNA) where: Base-Base interactions energy: -1076.767 where: short stacking energy: -463.622 Base-Backbone interact. energy: -0.959 local terms energy: -442.286691 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -91.638 flat angles P-C4'-P energy: -68.747 tors. eta vs tors. theta energy: -124.287 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: 68 Temperature: 1.250000 Total energy: -1417.571279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.571279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.571279 (E_RNA) where: Base-Base interactions energy: -1015.746 where: short stacking energy: -490.225 Base-Backbone interact. energy: -0.965 local terms energy: -400.859834 where: bonds (distance) C4'-P energy: -75.633 bonds (distance) P-C4' energy: -74.425 flat angles C4'-P-C4' energy: -83.154 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -111.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1243.331861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.331861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.331861 (E_RNA) where: Base-Base interactions energy: -848.651 where: short stacking energy: -432.916 Base-Backbone interact. energy: 0.512 local terms energy: -395.192916 where: bonds (distance) C4'-P energy: -73.437 bonds (distance) P-C4' energy: -77.007 flat angles C4'-P-C4' energy: -81.319 flat angles P-C4'-P energy: -58.584 tors. eta vs tors. theta energy: -104.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1152.794931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.794931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.794931 (E_RNA) where: Base-Base interactions energy: -776.353 where: short stacking energy: -360.815 Base-Backbone interact. energy: -4.340 local terms energy: -372.101421 where: bonds (distance) C4'-P energy: -75.217 bonds (distance) P-C4' energy: -77.764 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -81.233 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: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1824.181029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.181029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.181029 (E_RNA) where: Base-Base interactions energy: -1304.447 where: short stacking energy: -565.574 Base-Backbone interact. energy: -3.455 local terms energy: -516.278728 where: bonds (distance) C4'-P energy: -96.264 bonds (distance) P-C4' energy: -100.637 flat angles C4'-P-C4' energy: -111.873 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: -135.537 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: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1749.837469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.837469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.837469 (E_RNA) where: Base-Base interactions energy: -1223.604 where: short stacking energy: -583.825 Base-Backbone interact. energy: -1.790 local terms energy: -524.443101 where: bonds (distance) C4'-P energy: -90.961 bonds (distance) P-C4' energy: -96.462 flat angles C4'-P-C4' energy: -109.301 flat angles P-C4'-P energy: -77.962 tors. eta vs tors. theta energy: -149.757 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: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1733.059761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.059761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.059761 (E_RNA) where: Base-Base interactions energy: -1239.158 where: short stacking energy: -557.571 Base-Backbone interact. energy: 0.089 local terms energy: -493.991436 where: bonds (distance) C4'-P energy: -89.218 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -106.375 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -144.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1637.934395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.934395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.934395 (E_RNA) where: Base-Base interactions energy: -1166.462 where: short stacking energy: -523.499 Base-Backbone interact. energy: -1.586 local terms energy: -469.886371 where: bonds (distance) C4'-P energy: -86.063 bonds (distance) P-C4' energy: -73.762 flat angles C4'-P-C4' energy: -99.592 flat angles P-C4'-P energy: -71.587 tors. eta vs tors. theta energy: -138.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1588.666456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.666456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.666456 (E_RNA) where: Base-Base interactions energy: -1139.455 where: short stacking energy: -506.854 Base-Backbone interact. energy: 2.579 local terms energy: -451.790828 where: bonds (distance) C4'-P energy: -75.237 bonds (distance) P-C4' energy: -88.039 flat angles C4'-P-C4' energy: -95.105 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -128.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1547.785791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.785791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.785791 (E_RNA) where: Base-Base interactions energy: -1109.755 where: short stacking energy: -468.489 Base-Backbone interact. energy: -1.819 local terms energy: -436.211880 where: bonds (distance) C4'-P energy: -79.878 bonds (distance) P-C4' energy: -74.971 flat angles C4'-P-C4' energy: -104.562 flat angles P-C4'-P energy: -60.276 tors. eta vs tors. theta energy: -116.525 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: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1549.552303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.552303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.552303 (E_RNA) where: Base-Base interactions energy: -1107.148 where: short stacking energy: -517.638 Base-Backbone interact. energy: -1.119 local terms energy: -441.284675 where: bonds (distance) C4'-P energy: -67.164 bonds (distance) P-C4' energy: -82.879 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -61.578 tors. eta vs tors. theta energy: -139.135 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: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1379.065277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.065277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.065277 (E_RNA) where: Base-Base interactions energy: -969.343 where: short stacking energy: -462.445 Base-Backbone interact. energy: -0.744 local terms energy: -408.978244 where: bonds (distance) C4'-P energy: -86.055 bonds (distance) P-C4' energy: -69.977 flat angles C4'-P-C4' energy: -92.837 flat angles P-C4'-P energy: -49.809 tors. eta vs tors. theta energy: -110.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1204.656837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.656837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.656837 (E_RNA) where: Base-Base interactions energy: -820.927 where: short stacking energy: -392.978 Base-Backbone interact. energy: 0.426 local terms energy: -384.155301 where: bonds (distance) C4'-P energy: -83.250 bonds (distance) P-C4' energy: -73.600 flat angles C4'-P-C4' energy: -90.950 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -92.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1111.705955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.705955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.705955 (E_RNA) where: Base-Base interactions energy: -773.961 where: short stacking energy: -354.089 Base-Backbone interact. energy: -0.630 local terms energy: -337.115035 where: bonds (distance) C4'-P energy: -65.843 bonds (distance) P-C4' energy: -80.436 flat angles C4'-P-C4' energy: -75.901 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -73.727 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: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1822.654000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.654000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.654000 (E_RNA) where: Base-Base interactions energy: -1311.862 where: short stacking energy: -569.520 Base-Backbone interact. energy: 0.862 local terms energy: -511.653637 where: bonds (distance) C4'-P energy: -87.613 bonds (distance) P-C4' energy: -96.794 flat angles C4'-P-C4' energy: -120.116 flat angles P-C4'-P energy: -69.685 tors. eta vs tors. theta energy: -137.446 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: 70 Temperature: 0.950000 Total energy: -1775.328806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.328806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.328806 (E_RNA) where: Base-Base interactions energy: -1240.518 where: short stacking energy: -598.859 Base-Backbone interact. energy: -3.071 local terms energy: -531.739482 where: bonds (distance) C4'-P energy: -103.844 bonds (distance) P-C4' energy: -94.943 flat angles C4'-P-C4' energy: -103.314 flat angles P-C4'-P energy: -79.277 tors. eta vs tors. theta energy: -150.362 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: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1739.482240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.482240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.482240 (E_RNA) where: Base-Base interactions energy: -1236.033 where: short stacking energy: -538.152 Base-Backbone interact. energy: -2.634 local terms energy: -500.814678 where: bonds (distance) C4'-P energy: -94.098 bonds (distance) P-C4' energy: -85.079 flat angles C4'-P-C4' energy: -104.584 flat angles P-C4'-P energy: -80.575 tors. eta vs tors. theta energy: -136.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1645.092809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.092809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.092809 (E_RNA) where: Base-Base interactions energy: -1172.796 where: short stacking energy: -512.536 Base-Backbone interact. energy: -2.297 local terms energy: -469.999533 where: bonds (distance) C4'-P energy: -94.704 bonds (distance) P-C4' energy: -74.962 flat angles C4'-P-C4' energy: -101.519 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: -136.621 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: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1607.104488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.104488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.104488 (E_RNA) where: Base-Base interactions energy: -1143.052 where: short stacking energy: -509.305 Base-Backbone interact. energy: -1.672 local terms energy: -462.380562 where: bonds (distance) C4'-P energy: -79.160 bonds (distance) P-C4' energy: -85.275 flat angles C4'-P-C4' energy: -106.846 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: -128.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1518.960404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.960404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.960404 (E_RNA) where: Base-Base interactions energy: -1065.923 where: short stacking energy: -481.974 Base-Backbone interact. energy: -3.925 local terms energy: -449.112196 where: bonds (distance) C4'-P energy: -77.080 bonds (distance) P-C4' energy: -86.442 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -64.087 tors. eta vs tors. theta energy: -127.014 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: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1523.389673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.389673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.389673 (E_RNA) where: Base-Base interactions energy: -1073.937 where: short stacking energy: -489.281 Base-Backbone interact. energy: -2.044 local terms energy: -447.408432 where: bonds (distance) C4'-P energy: -75.588 bonds (distance) P-C4' energy: -85.763 flat angles C4'-P-C4' energy: -98.232 flat angles P-C4'-P energy: -64.120 tors. eta vs tors. theta energy: -123.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1354.474477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.474477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.474477 (E_RNA) where: Base-Base interactions energy: -942.861 where: short stacking energy: -441.285 Base-Backbone interact. energy: 3.482 local terms energy: -415.094898 where: bonds (distance) C4'-P energy: -83.038 bonds (distance) P-C4' energy: -80.446 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -99.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1157.678675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.678675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.678675 (E_RNA) where: Base-Base interactions energy: -768.804 where: short stacking energy: -368.418 Base-Backbone interact. energy: -3.035 local terms energy: -385.839077 where: bonds (distance) C4'-P energy: -83.260 bonds (distance) P-C4' energy: -94.394 flat angles C4'-P-C4' energy: -80.257 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -86.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1148.762706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.762706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.762706 (E_RNA) where: Base-Base interactions energy: -797.442 where: short stacking energy: -377.729 Base-Backbone interact. energy: 7.604 local terms energy: -358.924659 where: bonds (distance) C4'-P energy: -77.361 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -93.141 flat angles P-C4'-P energy: -41.527 tors. eta vs tors. theta energy: -80.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1832.131028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.131028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.131028 (E_RNA) where: Base-Base interactions energy: -1325.609 where: short stacking energy: -580.797 Base-Backbone interact. energy: 2.146 local terms energy: -508.668630 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -90.920 flat angles C4'-P-C4' energy: -110.088 flat angles P-C4'-P energy: -74.363 tors. eta vs tors. theta energy: -140.382 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: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1766.081261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.081261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.081261 (E_RNA) where: Base-Base interactions energy: -1279.217 where: short stacking energy: -568.511 Base-Backbone interact. energy: -0.393 local terms energy: -486.471239 where: bonds (distance) C4'-P energy: -91.264 bonds (distance) P-C4' energy: -73.468 flat angles C4'-P-C4' energy: -114.108 flat angles P-C4'-P energy: -65.546 tors. eta vs tors. theta energy: -142.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1724.651566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.651566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.651566 (E_RNA) where: Base-Base interactions energy: -1210.006 where: short stacking energy: -592.403 Base-Backbone interact. energy: -1.314 local terms energy: -513.331437 where: bonds (distance) C4'-P energy: -94.928 bonds (distance) P-C4' energy: -88.178 flat angles C4'-P-C4' energy: -101.876 flat angles P-C4'-P energy: -73.271 tors. eta vs tors. theta energy: -155.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1640.948130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.948130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.948130 (E_RNA) where: Base-Base interactions energy: -1155.520 where: short stacking energy: -515.245 Base-Backbone interact. energy: -6.981 local terms energy: -478.446553 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -91.038 flat angles C4'-P-C4' energy: -99.321 flat angles P-C4'-P energy: -70.738 tors. eta vs tors. theta energy: -132.074 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: 71 Temperature: 1.100000 Total energy: -1596.916422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.916422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.916422 (E_RNA) where: Base-Base interactions energy: -1149.128 where: short stacking energy: -501.354 Base-Backbone interact. energy: -2.974 local terms energy: -444.814623 where: bonds (distance) C4'-P energy: -85.175 bonds (distance) P-C4' energy: -79.343 flat angles C4'-P-C4' energy: -87.315 flat angles P-C4'-P energy: -59.829 tors. eta vs tors. theta energy: -133.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1574.752998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.752998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.752998 (E_RNA) where: Base-Base interactions energy: -1103.587 where: short stacking energy: -502.656 Base-Backbone interact. energy: -0.907 local terms energy: -470.258895 where: bonds (distance) C4'-P energy: -87.518 bonds (distance) P-C4' energy: -86.926 flat angles C4'-P-C4' energy: -89.683 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -137.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1508.818310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.818310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.818310 (E_RNA) where: Base-Base interactions energy: -1104.757 where: short stacking energy: -475.202 Base-Backbone interact. energy: -0.380 local terms energy: -403.681402 where: bonds (distance) C4'-P energy: -84.626 bonds (distance) P-C4' energy: -79.129 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -110.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1329.339131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.339131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.339131 (E_RNA) where: Base-Base interactions energy: -915.114 where: short stacking energy: -411.151 Base-Backbone interact. energy: 0.853 local terms energy: -415.077749 where: bonds (distance) C4'-P energy: -84.622 bonds (distance) P-C4' energy: -75.772 flat angles C4'-P-C4' energy: -87.460 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -103.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1192.106883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.106883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.106883 (E_RNA) where: Base-Base interactions energy: -832.530 where: short stacking energy: -380.480 Base-Backbone interact. energy: 1.258 local terms energy: -360.834639 where: bonds (distance) C4'-P energy: -73.901 bonds (distance) P-C4' energy: -85.439 flat angles C4'-P-C4' energy: -94.840 flat angles P-C4'-P energy: -30.968 tors. eta vs tors. theta energy: -75.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1089.730675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.730675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.730675 (E_RNA) where: Base-Base interactions energy: -760.780 where: short stacking energy: -360.471 Base-Backbone interact. energy: 8.228 local terms energy: -337.178346 where: bonds (distance) C4'-P energy: -67.344 bonds (distance) P-C4' energy: -82.765 flat angles C4'-P-C4' energy: -78.466 flat angles P-C4'-P energy: -43.709 tors. eta vs tors. theta energy: -64.895 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: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1836.274484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.274484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.274484 (E_RNA) where: Base-Base interactions energy: -1309.655 where: short stacking energy: -577.992 Base-Backbone interact. energy: -0.818 local terms energy: -525.801442 where: bonds (distance) C4'-P energy: -99.262 bonds (distance) P-C4' energy: -105.088 flat angles C4'-P-C4' energy: -101.559 flat angles P-C4'-P energy: -78.622 tors. eta vs tors. theta energy: -141.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1786.220244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.220244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.220244 (E_RNA) where: Base-Base interactions energy: -1264.492 where: short stacking energy: -562.487 Base-Backbone interact. energy: -2.612 local terms energy: -519.116310 where: bonds (distance) C4'-P energy: -92.515 bonds (distance) P-C4' energy: -96.485 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -74.901 tors. eta vs tors. theta energy: -144.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1716.286269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.286269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.286269 (E_RNA) where: Base-Base interactions energy: -1216.899 where: short stacking energy: -573.492 Base-Backbone interact. energy: -1.857 local terms energy: -497.530312 where: bonds (distance) C4'-P energy: -92.636 bonds (distance) P-C4' energy: -90.949 flat angles C4'-P-C4' energy: -103.100 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -139.892 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: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1642.708335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.708335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.708335 (E_RNA) where: Base-Base interactions energy: -1176.085 where: short stacking energy: -523.803 Base-Backbone interact. energy: -0.394 local terms energy: -466.228980 where: bonds (distance) C4'-P energy: -81.151 bonds (distance) P-C4' energy: -85.516 flat angles C4'-P-C4' energy: -99.970 flat angles P-C4'-P energy: -63.732 tors. eta vs tors. theta energy: -135.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1588.229614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.229614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.229614 (E_RNA) where: Base-Base interactions energy: -1128.827 where: short stacking energy: -501.128 Base-Backbone interact. energy: -1.261 local terms energy: -458.141205 where: bonds (distance) C4'-P energy: -94.909 bonds (distance) P-C4' energy: -75.749 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -132.338 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: 72 Temperature: 1.150000 Total energy: -1570.020190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.020190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.020190 (E_RNA) where: Base-Base interactions energy: -1117.183 where: short stacking energy: -524.829 Base-Backbone interact. energy: -1.512 local terms energy: -451.325705 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -110.034 flat angles P-C4'-P energy: -71.135 tors. eta vs tors. theta energy: -136.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1430.138948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.138948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.138948 (E_RNA) where: Base-Base interactions energy: -1017.251 where: short stacking energy: -417.800 Base-Backbone interact. energy: 4.196 local terms energy: -417.083941 where: bonds (distance) C4'-P energy: -79.491 bonds (distance) P-C4' energy: -80.498 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -69.993 tors. eta vs tors. theta energy: -105.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1333.734871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.734871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.734871 (E_RNA) where: Base-Base interactions energy: -942.214 where: short stacking energy: -444.234 Base-Backbone interact. energy: -0.417 local terms energy: -391.103572 where: bonds (distance) C4'-P energy: -74.953 bonds (distance) P-C4' energy: -76.076 flat angles C4'-P-C4' energy: -92.010 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -103.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1209.071785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.071785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.071785 (E_RNA) where: Base-Base interactions energy: -858.988 where: short stacking energy: -403.087 Base-Backbone interact. energy: -1.196 local terms energy: -348.887495 where: bonds (distance) C4'-P energy: -55.281 bonds (distance) P-C4' energy: -74.481 flat angles C4'-P-C4' energy: -88.560 flat angles P-C4'-P energy: -32.000 tors. eta vs tors. theta energy: -98.565 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1129.775243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.775243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.775243 (E_RNA) where: Base-Base interactions energy: -808.990 where: short stacking energy: -385.123 Base-Backbone interact. energy: -4.405 local terms energy: -316.380808 where: bonds (distance) C4'-P energy: -47.720 bonds (distance) P-C4' energy: -69.412 flat angles C4'-P-C4' energy: -76.598 flat angles P-C4'-P energy: -34.426 tors. eta vs tors. theta energy: -88.225 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: 73 Temperature: 0.900000 Total energy: -1835.975629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.975629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.975629 (E_RNA) where: Base-Base interactions energy: -1304.250 where: short stacking energy: -586.038 Base-Backbone interact. energy: -3.878 local terms energy: -527.846925 where: bonds (distance) C4'-P energy: -96.835 bonds (distance) P-C4' energy: -100.879 flat angles C4'-P-C4' energy: -108.099 flat angles P-C4'-P energy: -76.993 tors. eta vs tors. theta energy: -145.041 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: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1770.433925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.433925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.433925 (E_RNA) where: Base-Base interactions energy: -1272.164 where: short stacking energy: -536.851 Base-Backbone interact. energy: 5.210 local terms energy: -503.480519 where: bonds (distance) C4'-P energy: -93.834 bonds (distance) P-C4' energy: -97.630 flat angles C4'-P-C4' energy: -102.913 flat angles P-C4'-P energy: -67.024 tors. eta vs tors. theta energy: -142.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1726.769596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.769596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.769596 (E_RNA) where: Base-Base interactions energy: -1226.899 where: short stacking energy: -576.924 Base-Backbone interact. energy: 2.789 local terms energy: -502.659198 where: bonds (distance) C4'-P energy: -86.235 bonds (distance) P-C4' energy: -95.021 flat angles C4'-P-C4' energy: -112.895 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: -146.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1662.030475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.030475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.030475 (E_RNA) where: Base-Base interactions energy: -1165.648 where: short stacking energy: -535.174 Base-Backbone interact. energy: -0.195 local terms energy: -496.188133 where: bonds (distance) C4'-P energy: -96.119 bonds (distance) P-C4' energy: -89.832 flat angles C4'-P-C4' energy: -108.071 flat angles P-C4'-P energy: -70.620 tors. eta vs tors. theta energy: -131.546 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: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1579.532538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.532538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.532538 (E_RNA) where: Base-Base interactions energy: -1137.553 where: short stacking energy: -488.889 Base-Backbone interact. energy: -2.617 local terms energy: -439.362470 where: bonds (distance) C4'-P energy: -92.412 bonds (distance) P-C4' energy: -73.401 flat angles C4'-P-C4' energy: -100.345 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -123.338 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: 73 Temperature: 1.150000 Total energy: -1569.433614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.433614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.433614 (E_RNA) where: Base-Base interactions energy: -1104.064 where: short stacking energy: -505.160 Base-Backbone interact. energy: -0.943 local terms energy: -464.426836 where: bonds (distance) C4'-P energy: -87.847 bonds (distance) P-C4' energy: -79.392 flat angles C4'-P-C4' energy: -100.064 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -129.835 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: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1485.080011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.080011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.080011 (E_RNA) where: Base-Base interactions energy: -1060.217 where: short stacking energy: -466.465 Base-Backbone interact. energy: -2.803 local terms energy: -422.060339 where: bonds (distance) C4'-P energy: -71.805 bonds (distance) P-C4' energy: -61.158 flat angles C4'-P-C4' energy: -107.319 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -122.449 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: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1420.495408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.495408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.495408 (E_RNA) where: Base-Base interactions energy: -988.254 where: short stacking energy: -431.616 Base-Backbone interact. energy: -4.187 local terms energy: -428.054110 where: bonds (distance) C4'-P energy: -69.129 bonds (distance) P-C4' energy: -91.115 flat angles C4'-P-C4' energy: -95.506 flat angles P-C4'-P energy: -55.349 tors. eta vs tors. theta energy: -116.956 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: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1206.697939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.697939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.697939 (E_RNA) where: Base-Base interactions energy: -865.289 where: short stacking energy: -382.646 Base-Backbone interact. energy: 1.821 local terms energy: -343.229240 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -85.524 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: -75.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1107.843415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.843415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.843415 (E_RNA) where: Base-Base interactions energy: -763.882 where: short stacking energy: -362.209 Base-Backbone interact. energy: 0.188 local terms energy: -344.149891 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -69.073 flat angles C4'-P-C4' energy: -87.378 flat angles P-C4'-P energy: -45.252 tors. eta vs tors. theta energy: -70.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1834.001969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.001969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.001969 (E_RNA) where: Base-Base interactions energy: -1322.560 where: short stacking energy: -565.879 Base-Backbone interact. energy: -0.679 local terms energy: -510.763883 where: bonds (distance) C4'-P energy: -86.916 bonds (distance) P-C4' energy: -94.191 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -145.681 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: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1780.806364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.806364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.806364 (E_RNA) where: Base-Base interactions energy: -1286.131 where: short stacking energy: -557.991 Base-Backbone interact. energy: -2.477 local terms energy: -492.197997 where: bonds (distance) C4'-P energy: -87.265 bonds (distance) P-C4' energy: -96.774 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -140.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1737.903875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.903875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.903875 (E_RNA) where: Base-Base interactions energy: -1229.053 where: short stacking energy: -589.196 Base-Backbone interact. energy: -1.011 local terms energy: -507.840230 where: bonds (distance) C4'-P energy: -84.432 bonds (distance) P-C4' energy: -94.978 flat angles C4'-P-C4' energy: -107.165 flat angles P-C4'-P energy: -73.122 tors. eta vs tors. theta energy: -148.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1642.079967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.079967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.079967 (E_RNA) where: Base-Base interactions energy: -1177.716 where: short stacking energy: -533.790 Base-Backbone interact. energy: -2.766 local terms energy: -461.597601 where: bonds (distance) C4'-P energy: -75.077 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -134.269 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: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1553.450238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.450238 (E_RNA) where: Base-Base interactions energy: -1115.330 where: short stacking energy: -494.147 Base-Backbone interact. energy: -0.135 local terms energy: -437.985118 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -80.939 flat angles C4'-P-C4' energy: -94.562 flat angles P-C4'-P energy: -61.923 tors. eta vs tors. theta energy: -121.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1596.955156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.955156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.955156 (E_RNA) where: Base-Base interactions energy: -1142.727 where: short stacking energy: -519.660 Base-Backbone interact. energy: -0.297 local terms energy: -453.931253 where: bonds (distance) C4'-P energy: -88.582 bonds (distance) P-C4' energy: -73.669 flat angles C4'-P-C4' energy: -103.253 flat angles P-C4'-P energy: -53.238 tors. eta vs tors. theta energy: -135.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1434.705606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.705606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.705606 (E_RNA) where: Base-Base interactions energy: -1006.236 where: short stacking energy: -448.383 Base-Backbone interact. energy: 0.141 local terms energy: -428.609953 where: bonds (distance) C4'-P energy: -81.093 bonds (distance) P-C4' energy: -84.103 flat angles C4'-P-C4' energy: -94.002 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: -116.658 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: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1448.351909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.351909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.351909 (E_RNA) where: Base-Base interactions energy: -1039.085 where: short stacking energy: -464.323 Base-Backbone interact. energy: -1.067 local terms energy: -408.200041 where: bonds (distance) C4'-P energy: -65.252 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -84.342 flat angles P-C4'-P energy: -51.447 tors. eta vs tors. theta energy: -121.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1225.840985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.840985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.840985 (E_RNA) where: Base-Base interactions energy: -861.310 where: short stacking energy: -396.965 Base-Backbone interact. energy: -0.802 local terms energy: -363.728536 where: bonds (distance) C4'-P energy: -71.333 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -75.029 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -106.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1179.746806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.746806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.746806 (E_RNA) where: Base-Base interactions energy: -829.628 where: short stacking energy: -369.082 Base-Backbone interact. energy: -0.030 local terms energy: -350.088746 where: bonds (distance) C4'-P energy: -51.925 bonds (distance) P-C4' energy: -80.920 flat angles C4'-P-C4' energy: -76.659 flat angles P-C4'-P energy: -56.973 tors. eta vs tors. theta energy: -83.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1826.390210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.390210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.390210 (E_RNA) where: Base-Base interactions energy: -1313.665 where: short stacking energy: -566.906 Base-Backbone interact. energy: -2.259 local terms energy: -510.466226 where: bonds (distance) C4'-P energy: -79.980 bonds (distance) P-C4' energy: -94.648 flat angles C4'-P-C4' energy: -111.148 flat angles P-C4'-P energy: -81.095 tors. eta vs tors. theta energy: -143.596 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: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1768.800515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.800515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.800515 (E_RNA) where: Base-Base interactions energy: -1269.202 where: short stacking energy: -547.073 Base-Backbone interact. energy: -3.608 local terms energy: -495.990610 where: bonds (distance) C4'-P energy: -93.081 bonds (distance) P-C4' energy: -73.751 flat angles C4'-P-C4' energy: -111.046 flat angles P-C4'-P energy: -75.438 tors. eta vs tors. theta energy: -142.674 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1745.816271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.816271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.816271 (E_RNA) where: Base-Base interactions energy: -1247.635 where: short stacking energy: -584.069 Base-Backbone interact. energy: -2.671 local terms energy: -495.510120 where: bonds (distance) C4'-P energy: -86.775 bonds (distance) P-C4' energy: -86.632 flat angles C4'-P-C4' energy: -110.505 flat angles P-C4'-P energy: -68.270 tors. eta vs tors. theta energy: -143.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1679.794308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.794308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.794308 (E_RNA) where: Base-Base interactions energy: -1235.628 where: short stacking energy: -558.238 Base-Backbone interact. energy: 0.218 local terms energy: -444.384649 where: bonds (distance) C4'-P energy: -89.609 bonds (distance) P-C4' energy: -72.701 flat angles C4'-P-C4' energy: -93.860 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -129.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1569.734334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.734334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.734334 (E_RNA) where: Base-Base interactions energy: -1095.602 where: short stacking energy: -525.331 Base-Backbone interact. energy: 0.259 local terms energy: -474.392170 where: bonds (distance) C4'-P energy: -77.840 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -111.494 flat angles P-C4'-P energy: -60.170 tors. eta vs tors. theta energy: -136.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1590.943296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.943296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.943296 (E_RNA) where: Base-Base interactions energy: -1127.005 where: short stacking energy: -504.814 Base-Backbone interact. energy: 1.373 local terms energy: -465.311812 where: bonds (distance) C4'-P energy: -85.930 bonds (distance) P-C4' energy: -86.597 flat angles C4'-P-C4' energy: -103.161 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -130.328 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: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1446.681805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.681805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.681805 (E_RNA) where: Base-Base interactions energy: -1034.978 where: short stacking energy: -466.163 Base-Backbone interact. energy: 2.686 local terms energy: -414.389719 where: bonds (distance) C4'-P energy: -70.580 bonds (distance) P-C4' energy: -77.715 flat angles C4'-P-C4' energy: -89.032 flat angles P-C4'-P energy: -62.353 tors. eta vs tors. theta energy: -114.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1335.896006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.896006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.896006 (E_RNA) where: Base-Base interactions energy: -934.040 where: short stacking energy: -410.245 Base-Backbone interact. energy: 1.294 local terms energy: -403.150550 where: bonds (distance) C4'-P energy: -74.053 bonds (distance) P-C4' energy: -80.789 flat angles C4'-P-C4' energy: -83.138 flat angles P-C4'-P energy: -54.222 tors. eta vs tors. theta energy: -110.949 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: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1212.555244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.555244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.555244 (E_RNA) where: Base-Base interactions energy: -835.493 where: short stacking energy: -389.051 Base-Backbone interact. energy: -1.989 local terms energy: -375.073774 where: bonds (distance) C4'-P energy: -76.006 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -98.104 flat angles P-C4'-P energy: -42.494 tors. eta vs tors. theta energy: -98.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1028.377534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.377534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.377534 (E_RNA) where: Base-Base interactions energy: -715.444 where: short stacking energy: -329.209 Base-Backbone interact. energy: 2.702 local terms energy: -315.635392 where: bonds (distance) C4'-P energy: -86.629 bonds (distance) P-C4' energy: -50.660 flat angles C4'-P-C4' energy: -72.170 flat angles P-C4'-P energy: -40.835 tors. eta vs tors. theta energy: -65.341 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: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1801.550941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.550941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.550941 (E_RNA) where: Base-Base interactions energy: -1263.229 where: short stacking energy: -561.447 Base-Backbone interact. energy: -5.427 local terms energy: -532.894491 where: bonds (distance) C4'-P energy: -94.248 bonds (distance) P-C4' energy: -102.577 flat angles C4'-P-C4' energy: -109.697 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -149.094 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: 76 Temperature: 0.950000 Total energy: -1799.965984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.965984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.965984 (E_RNA) where: Base-Base interactions energy: -1310.692 where: short stacking energy: -576.172 Base-Backbone interact. energy: 1.347 local terms energy: -490.620725 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -82.200 flat angles C4'-P-C4' energy: -114.609 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -146.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1752.348691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.348691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.348691 (E_RNA) where: Base-Base interactions energy: -1249.035 where: short stacking energy: -558.460 Base-Backbone interact. energy: -2.468 local terms energy: -500.845829 where: bonds (distance) C4'-P energy: -87.737 bonds (distance) P-C4' energy: -94.031 flat angles C4'-P-C4' energy: -104.023 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: -141.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1643.165183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.165183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.165183 (E_RNA) where: Base-Base interactions energy: -1174.208 where: short stacking energy: -515.856 Base-Backbone interact. energy: -3.678 local terms energy: -465.279269 where: bonds (distance) C4'-P energy: -84.121 bonds (distance) P-C4' energy: -85.528 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -63.093 tors. eta vs tors. theta energy: -128.159 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: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1554.964869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.964869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.964869 (E_RNA) where: Base-Base interactions energy: -1117.894 where: short stacking energy: -500.091 Base-Backbone interact. energy: -1.432 local terms energy: -435.639330 where: bonds (distance) C4'-P energy: -82.075 bonds (distance) P-C4' energy: -83.457 flat angles C4'-P-C4' energy: -86.365 flat angles P-C4'-P energy: -60.210 tors. eta vs tors. theta energy: -123.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1578.273279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.273279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.273279 (E_RNA) where: Base-Base interactions energy: -1141.318 where: short stacking energy: -521.981 Base-Backbone interact. energy: -1.174 local terms energy: -435.781803 where: bonds (distance) C4'-P energy: -75.682 bonds (distance) P-C4' energy: -79.960 flat angles C4'-P-C4' energy: -95.469 flat angles P-C4'-P energy: -57.739 tors. eta vs tors. theta energy: -126.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1518.855894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.855894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.855894 (E_RNA) where: Base-Base interactions energy: -1083.633 where: short stacking energy: -475.717 Base-Backbone interact. energy: -2.151 local terms energy: -433.072262 where: bonds (distance) C4'-P energy: -70.277 bonds (distance) P-C4' energy: -77.275 flat angles C4'-P-C4' energy: -100.903 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -127.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1394.204397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.204397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.204397 (E_RNA) where: Base-Base interactions energy: -984.941 where: short stacking energy: -450.175 Base-Backbone interact. energy: 2.795 local terms energy: -412.058167 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -84.147 flat angles C4'-P-C4' energy: -88.965 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -117.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1227.813653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.813653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.813653 (E_RNA) where: Base-Base interactions energy: -841.234 where: short stacking energy: -397.161 Base-Backbone interact. energy: -2.860 local terms energy: -383.719867 where: bonds (distance) C4'-P energy: -76.394 bonds (distance) P-C4' energy: -71.955 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: -100.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1164.909630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.909630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.909630 (E_RNA) where: Base-Base interactions energy: -805.126 where: short stacking energy: -374.556 Base-Backbone interact. energy: 0.694 local terms energy: -360.477283 where: bonds (distance) C4'-P energy: -62.844 bonds (distance) P-C4' energy: -84.869 flat angles C4'-P-C4' energy: -75.637 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -89.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1814.813201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.813201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.813201 (E_RNA) where: Base-Base interactions energy: -1294.978 where: short stacking energy: -575.543 Base-Backbone interact. energy: -5.500 local terms energy: -514.335309 where: bonds (distance) C4'-P energy: -91.382 bonds (distance) P-C4' energy: -96.392 flat angles C4'-P-C4' energy: -112.199 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: -145.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1820.610157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.610157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.610157 (E_RNA) where: Base-Base interactions energy: -1302.291 where: short stacking energy: -600.846 Base-Backbone interact. energy: -0.144 local terms energy: -518.175344 where: bonds (distance) C4'-P energy: -94.986 bonds (distance) P-C4' energy: -90.752 flat angles C4'-P-C4' energy: -113.997 flat angles P-C4'-P energy: -66.710 tors. eta vs tors. theta energy: -151.729 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: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1712.034406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.034406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.034406 (E_RNA) where: Base-Base interactions energy: -1224.126 where: short stacking energy: -548.960 Base-Backbone interact. energy: -1.684 local terms energy: -486.223554 where: bonds (distance) C4'-P energy: -82.024 bonds (distance) P-C4' energy: -100.400 flat angles C4'-P-C4' energy: -97.632 flat angles P-C4'-P energy: -65.887 tors. eta vs tors. theta energy: -140.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1625.238687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.238687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.238687 (E_RNA) where: Base-Base interactions energy: -1173.412 where: short stacking energy: -534.916 Base-Backbone interact. energy: 2.330 local terms energy: -454.157313 where: bonds (distance) C4'-P energy: -78.199 bonds (distance) P-C4' energy: -83.798 flat angles C4'-P-C4' energy: -96.816 flat angles P-C4'-P energy: -64.421 tors. eta vs tors. theta energy: -130.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1619.316844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.316844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.316844 (E_RNA) where: Base-Base interactions energy: -1173.687 where: short stacking energy: -504.022 Base-Backbone interact. energy: -1.898 local terms energy: -443.731207 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -85.663 flat angles C4'-P-C4' energy: -93.047 flat angles P-C4'-P energy: -68.783 tors. eta vs tors. theta energy: -120.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1626.930226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.930226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.930226 (E_RNA) where: Base-Base interactions energy: -1166.557 where: short stacking energy: -533.393 Base-Backbone interact. energy: -1.668 local terms energy: -458.704980 where: bonds (distance) C4'-P energy: -72.855 bonds (distance) P-C4' energy: -74.393 flat angles C4'-P-C4' energy: -104.074 flat angles P-C4'-P energy: -70.429 tors. eta vs tors. theta energy: -136.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1540.528990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.528990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.528990 (E_RNA) where: Base-Base interactions energy: -1097.631 where: short stacking energy: -473.834 Base-Backbone interact. energy: -2.881 local terms energy: -440.016721 where: bonds (distance) C4'-P energy: -84.350 bonds (distance) P-C4' energy: -75.245 flat angles C4'-P-C4' energy: -99.326 flat angles P-C4'-P energy: -53.763 tors. eta vs tors. theta energy: -127.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1425.477379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.477379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.477379 (E_RNA) where: Base-Base interactions energy: -1012.120 where: short stacking energy: -432.688 Base-Backbone interact. energy: 7.473 local terms energy: -420.830693 where: bonds (distance) C4'-P energy: -86.593 bonds (distance) P-C4' energy: -85.848 flat angles C4'-P-C4' energy: -95.832 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -109.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1208.165091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.165091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.165091 (E_RNA) where: Base-Base interactions energy: -831.704 where: short stacking energy: -384.384 Base-Backbone interact. energy: -1.271 local terms energy: -375.190823 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -78.492 flat angles C4'-P-C4' energy: -83.846 flat angles P-C4'-P energy: -55.289 tors. eta vs tors. theta energy: -86.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1192.120738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.120738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.120738 (E_RNA) where: Base-Base interactions energy: -817.162 where: short stacking energy: -376.769 Base-Backbone interact. energy: -2.142 local terms energy: -372.816273 where: bonds (distance) C4'-P energy: -78.331 bonds (distance) P-C4' energy: -83.993 flat angles C4'-P-C4' energy: -82.112 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -79.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1795.059273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.059273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.059273 (E_RNA) where: Base-Base interactions energy: -1264.211 where: short stacking energy: -587.285 Base-Backbone interact. energy: -1.262 local terms energy: -529.586934 where: bonds (distance) C4'-P energy: -94.990 bonds (distance) P-C4' energy: -92.497 flat angles C4'-P-C4' energy: -112.005 flat angles P-C4'-P energy: -81.947 tors. eta vs tors. theta energy: -148.148 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: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1826.553775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.553775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.553775 (E_RNA) where: Base-Base interactions energy: -1304.800 where: short stacking energy: -554.863 Base-Backbone interact. energy: -0.931 local terms energy: -520.823059 where: bonds (distance) C4'-P energy: -100.987 bonds (distance) P-C4' energy: -98.448 flat angles C4'-P-C4' energy: -97.662 flat angles P-C4'-P energy: -73.681 tors. eta vs tors. theta energy: -150.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1770.556521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.556521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.556521 (E_RNA) where: Base-Base interactions energy: -1279.675 where: short stacking energy: -574.610 Base-Backbone interact. energy: -0.720 local terms energy: -490.162025 where: bonds (distance) C4'-P energy: -86.877 bonds (distance) P-C4' energy: -82.265 flat angles C4'-P-C4' energy: -107.144 flat angles P-C4'-P energy: -72.591 tors. eta vs tors. theta energy: -141.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1601.252301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.252301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.252301 (E_RNA) where: Base-Base interactions energy: -1128.646 where: short stacking energy: -518.820 Base-Backbone interact. energy: -0.797 local terms energy: -471.808497 where: bonds (distance) C4'-P energy: -89.351 bonds (distance) P-C4' energy: -83.454 flat angles C4'-P-C4' energy: -100.666 flat angles P-C4'-P energy: -68.948 tors. eta vs tors. theta energy: -129.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1645.515170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.515170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.515170 (E_RNA) where: Base-Base interactions energy: -1182.114 where: short stacking energy: -502.641 Base-Backbone interact. energy: -1.732 local terms energy: -461.669578 where: bonds (distance) C4'-P energy: -91.106 bonds (distance) P-C4' energy: -88.093 flat angles C4'-P-C4' energy: -100.412 flat angles P-C4'-P energy: -53.110 tors. eta vs tors. theta energy: -128.948 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: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1580.715948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.715948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.715948 (E_RNA) where: Base-Base interactions energy: -1145.489 where: short stacking energy: -519.583 Base-Backbone interact. energy: -2.547 local terms energy: -432.680524 where: bonds (distance) C4'-P energy: -84.968 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -101.568 flat angles P-C4'-P energy: -60.988 tors. eta vs tors. theta energy: -118.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1520.779391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.779391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.779391 (E_RNA) where: Base-Base interactions energy: -1096.164 where: short stacking energy: -470.522 Base-Backbone interact. energy: -3.958 local terms energy: -420.656929 where: bonds (distance) C4'-P energy: -69.543 bonds (distance) P-C4' energy: -56.658 flat angles C4'-P-C4' energy: -98.928 flat angles P-C4'-P energy: -67.773 tors. eta vs tors. theta energy: -127.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1451.085766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.085766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.085766 (E_RNA) where: Base-Base interactions energy: -1051.489 where: short stacking energy: -450.263 Base-Backbone interact. energy: -2.934 local terms energy: -396.663098 where: bonds (distance) C4'-P energy: -52.031 bonds (distance) P-C4' energy: -71.279 flat angles C4'-P-C4' energy: -103.840 flat angles P-C4'-P energy: -63.651 tors. eta vs tors. theta energy: -105.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1283.669067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.669067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.669067 (E_RNA) where: Base-Base interactions energy: -908.810 where: short stacking energy: -424.741 Base-Backbone interact. energy: -1.281 local terms energy: -373.578853 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -73.667 flat angles C4'-P-C4' energy: -81.616 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -104.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1208.449061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.449061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.449061 (E_RNA) where: Base-Base interactions energy: -854.546 where: short stacking energy: -402.509 Base-Backbone interact. energy: -1.040 local terms energy: -352.862422 where: bonds (distance) C4'-P energy: -69.070 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -77.928 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -97.897 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: 1, replica: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1793.567275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.567275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.567275 (E_RNA) where: Base-Base interactions energy: -1279.621 where: short stacking energy: -559.092 Base-Backbone interact. energy: -1.394 local terms energy: -512.552924 where: bonds (distance) C4'-P energy: -92.709 bonds (distance) P-C4' energy: -90.448 flat angles C4'-P-C4' energy: -100.963 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -151.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1828.257488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.257488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.257488 (E_RNA) where: Base-Base interactions energy: -1310.309 where: short stacking energy: -574.897 Base-Backbone interact. energy: 5.140 local terms energy: -523.088295 where: bonds (distance) C4'-P energy: -86.431 bonds (distance) P-C4' energy: -104.428 flat angles C4'-P-C4' energy: -103.355 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -152.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1742.406570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.406570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.406570 (E_RNA) where: Base-Base interactions energy: -1246.526 where: short stacking energy: -571.174 Base-Backbone interact. energy: 0.320 local terms energy: -496.200824 where: bonds (distance) C4'-P energy: -87.599 bonds (distance) P-C4' energy: -94.119 flat angles C4'-P-C4' energy: -100.141 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -144.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1724.571258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.571258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.571258 (E_RNA) where: Base-Base interactions energy: -1216.845 where: short stacking energy: -546.139 Base-Backbone interact. energy: -0.831 local terms energy: -506.895521 where: bonds (distance) C4'-P energy: -85.054 bonds (distance) P-C4' energy: -94.900 flat angles C4'-P-C4' energy: -114.325 flat angles P-C4'-P energy: -67.966 tors. eta vs tors. theta energy: -144.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1600.788515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.788515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.788515 (E_RNA) where: Base-Base interactions energy: -1165.909 where: short stacking energy: -497.861 Base-Backbone interact. energy: 0.080 local terms energy: -434.959609 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -85.579 flat angles C4'-P-C4' energy: -84.720 flat angles P-C4'-P energy: -52.495 tors. eta vs tors. theta energy: -130.318 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: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1591.419764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.419764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.419764 (E_RNA) where: Base-Base interactions energy: -1150.419 where: short stacking energy: -483.412 Base-Backbone interact. energy: -3.800 local terms energy: -437.200315 where: bonds (distance) C4'-P energy: -76.984 bonds (distance) P-C4' energy: -81.965 flat angles C4'-P-C4' energy: -95.787 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -120.417 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: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1523.806531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.806531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.806531 (E_RNA) where: Base-Base interactions energy: -1101.343 where: short stacking energy: -487.907 Base-Backbone interact. energy: -0.968 local terms energy: -421.495060 where: bonds (distance) C4'-P energy: -73.139 bonds (distance) P-C4' energy: -67.804 flat angles C4'-P-C4' energy: -96.253 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -128.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1404.324896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.324896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.324896 (E_RNA) where: Base-Base interactions energy: -999.443 where: short stacking energy: -448.249 Base-Backbone interact. energy: 3.378 local terms energy: -408.260709 where: bonds (distance) C4'-P energy: -74.686 bonds (distance) P-C4' energy: -70.107 flat angles C4'-P-C4' energy: -108.160 flat angles P-C4'-P energy: -42.649 tors. eta vs tors. theta energy: -112.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1261.742853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.742853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.742853 (E_RNA) where: Base-Base interactions energy: -885.689 where: short stacking energy: -414.804 Base-Backbone interact. energy: -1.186 local terms energy: -374.867786 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -71.655 flat angles C4'-P-C4' energy: -83.273 flat angles P-C4'-P energy: -59.299 tors. eta vs tors. theta energy: -87.370 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: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1184.276823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.276823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.276823 (E_RNA) where: Base-Base interactions energy: -815.733 where: short stacking energy: -392.463 Base-Backbone interact. energy: 0.970 local terms energy: -369.513447 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -76.199 flat angles P-C4'-P energy: -38.784 tors. eta vs tors. theta energy: -92.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1861.314952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.314952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.314952 (E_RNA) where: Base-Base interactions energy: -1341.042 where: short stacking energy: -591.072 Base-Backbone interact. energy: 4.364 local terms energy: -524.636647 where: bonds (distance) C4'-P energy: -97.044 bonds (distance) P-C4' energy: -91.263 flat angles C4'-P-C4' energy: -114.053 flat angles P-C4'-P energy: -72.364 tors. eta vs tors. theta energy: -149.913 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: 9 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1785.623353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.623353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.623353 (E_RNA) where: Base-Base interactions energy: -1271.534 where: short stacking energy: -569.086 Base-Backbone interact. energy: -4.992 local terms energy: -509.096614 where: bonds (distance) C4'-P energy: -81.181 bonds (distance) P-C4' energy: -88.976 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -77.909 tors. eta vs tors. theta energy: -147.900 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: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1779.436544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.436544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.436544 (E_RNA) where: Base-Base interactions energy: -1255.806 where: short stacking energy: -586.087 Base-Backbone interact. energy: 0.714 local terms energy: -524.345035 where: bonds (distance) C4'-P energy: -90.770 bonds (distance) P-C4' energy: -92.708 flat angles C4'-P-C4' energy: -112.855 flat angles P-C4'-P energy: -76.946 tors. eta vs tors. theta energy: -151.066 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: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1719.842154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.842154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.842154 (E_RNA) where: Base-Base interactions energy: -1214.978 where: short stacking energy: -568.478 Base-Backbone interact. energy: -3.249 local terms energy: -501.615640 where: bonds (distance) C4'-P energy: -89.554 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -112.723 flat angles P-C4'-P energy: -74.075 tors. eta vs tors. theta energy: -147.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1604.132796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.132796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.132796 (E_RNA) where: Base-Base interactions energy: -1148.235 where: short stacking energy: -512.892 Base-Backbone interact. energy: -0.768 local terms energy: -455.129118 where: bonds (distance) C4'-P energy: -86.960 bonds (distance) P-C4' energy: -87.849 flat angles C4'-P-C4' energy: -97.948 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: -117.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1589.385974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.385974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.385974 (E_RNA) where: Base-Base interactions energy: -1161.005 where: short stacking energy: -505.077 Base-Backbone interact. energy: 0.233 local terms energy: -428.613512 where: bonds (distance) C4'-P energy: -66.508 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -87.210 flat angles P-C4'-P energy: -65.312 tors. eta vs tors. theta energy: -126.015 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: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1553.826055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.826055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.826055 (E_RNA) where: Base-Base interactions energy: -1095.875 where: short stacking energy: -492.477 Base-Backbone interact. energy: -3.779 local terms energy: -454.171547 where: bonds (distance) C4'-P energy: -78.541 bonds (distance) P-C4' energy: -72.632 flat angles C4'-P-C4' energy: -92.795 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: -130.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1384.643159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.643159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.643159 (E_RNA) where: Base-Base interactions energy: -988.349 where: short stacking energy: -424.435 Base-Backbone interact. energy: 6.605 local terms energy: -402.898751 where: bonds (distance) C4'-P energy: -67.207 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -96.343 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -112.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1267.858757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.858757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.858757 (E_RNA) where: Base-Base interactions energy: -882.760 where: short stacking energy: -417.701 Base-Backbone interact. energy: 3.298 local terms energy: -388.396374 where: bonds (distance) C4'-P energy: -65.468 bonds (distance) P-C4' energy: -75.116 flat angles C4'-P-C4' energy: -100.673 flat angles P-C4'-P energy: -38.235 tors. eta vs tors. theta energy: -108.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1189.147998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.147998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.147998 (E_RNA) where: Base-Base interactions energy: -846.432 where: short stacking energy: -394.788 Base-Backbone interact. energy: -2.089 local terms energy: -340.626996 where: bonds (distance) C4'-P energy: -62.554 bonds (distance) P-C4' energy: -56.657 flat angles C4'-P-C4' energy: -92.343 flat angles P-C4'-P energy: -39.520 tors. eta vs tors. theta energy: -89.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1829.142092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.142092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.142092 (E_RNA) where: Base-Base interactions energy: -1309.613 where: short stacking energy: -580.772 Base-Backbone interact. energy: -2.009 local terms energy: -517.520600 where: bonds (distance) C4'-P energy: -93.859 bonds (distance) P-C4' energy: -100.521 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -67.987 tors. eta vs tors. theta energy: -144.591 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: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1775.571750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.571750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.571750 (E_RNA) where: Base-Base interactions energy: -1276.265 where: short stacking energy: -556.491 Base-Backbone interact. energy: 1.213 local terms energy: -500.519517 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -96.091 flat angles C4'-P-C4' energy: -115.196 flat angles P-C4'-P energy: -56.518 tors. eta vs tors. theta energy: -144.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1778.945336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.945336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.945336 (E_RNA) where: Base-Base interactions energy: -1289.753 where: short stacking energy: -571.229 Base-Backbone interact. energy: -3.248 local terms energy: -485.945115 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -102.666 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: -154.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1712.981430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.981430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.981430 (E_RNA) where: Base-Base interactions energy: -1217.065 where: short stacking energy: -547.714 Base-Backbone interact. energy: -1.270 local terms energy: -494.647133 where: bonds (distance) C4'-P energy: -94.342 bonds (distance) P-C4' energy: -82.100 flat angles C4'-P-C4' energy: -104.348 flat angles P-C4'-P energy: -69.997 tors. eta vs tors. theta energy: -143.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1625.528962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.528962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.528962 (E_RNA) where: Base-Base interactions energy: -1154.366 where: short stacking energy: -541.154 Base-Backbone interact. energy: -2.635 local terms energy: -468.527700 where: bonds (distance) C4'-P energy: -92.320 bonds (distance) P-C4' energy: -77.928 flat angles C4'-P-C4' energy: -108.796 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -132.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1622.450774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.450774 (E_RNA) where: Base-Base interactions energy: -1160.611 where: short stacking energy: -512.828 Base-Backbone interact. energy: -1.585 local terms energy: -460.255049 where: bonds (distance) C4'-P energy: -82.227 bonds (distance) P-C4' energy: -83.410 flat angles C4'-P-C4' energy: -99.189 flat angles P-C4'-P energy: -71.334 tors. eta vs tors. theta energy: -124.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1576.167563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.167563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.167563 (E_RNA) where: Base-Base interactions energy: -1112.981 where: short stacking energy: -499.671 Base-Backbone interact. energy: -1.233 local terms energy: -461.954243 where: bonds (distance) C4'-P energy: -79.288 bonds (distance) P-C4' energy: -83.042 flat angles C4'-P-C4' energy: -104.455 flat angles P-C4'-P energy: -62.986 tors. eta vs tors. theta energy: -132.184 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: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1440.913742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.913742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.913742 (E_RNA) where: Base-Base interactions energy: -995.279 where: short stacking energy: -461.561 Base-Backbone interact. energy: -1.845 local terms energy: -443.789011 where: bonds (distance) C4'-P energy: -77.107 bonds (distance) P-C4' energy: -83.992 flat angles C4'-P-C4' energy: -94.165 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -129.480 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: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1165.013734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.013734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.013734 (E_RNA) where: Base-Base interactions energy: -817.382 where: short stacking energy: -389.734 Base-Backbone interact. energy: 0.195 local terms energy: -347.827221 where: bonds (distance) C4'-P energy: -66.186 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -89.420 flat angles P-C4'-P energy: -38.711 tors. eta vs tors. theta energy: -89.129 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: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1226.143550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.143550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.143550 (E_RNA) where: Base-Base interactions energy: -854.768 where: short stacking energy: -389.042 Base-Backbone interact. energy: 3.088 local terms energy: -374.463956 where: bonds (distance) C4'-P energy: -74.460 bonds (distance) P-C4' energy: -81.625 flat angles C4'-P-C4' energy: -83.785 flat angles P-C4'-P energy: -46.051 tors. eta vs tors. theta energy: -88.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1833.768808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.768808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.768808 (E_RNA) where: Base-Base interactions energy: -1324.848 where: short stacking energy: -576.820 Base-Backbone interact. energy: -0.381 local terms energy: -508.539729 where: bonds (distance) C4'-P energy: -79.969 bonds (distance) P-C4' energy: -96.840 flat angles C4'-P-C4' energy: -104.195 flat angles P-C4'-P energy: -79.144 tors. eta vs tors. theta energy: -148.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1762.388007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.388007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.388007 (E_RNA) where: Base-Base interactions energy: -1259.111 where: short stacking energy: -563.897 Base-Backbone interact. energy: -2.776 local terms energy: -500.500643 where: bonds (distance) C4'-P energy: -94.646 bonds (distance) P-C4' energy: -102.017 flat angles C4'-P-C4' energy: -105.120 flat angles P-C4'-P energy: -61.896 tors. eta vs tors. theta energy: -136.822 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: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1807.198818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.198818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.198818 (E_RNA) where: Base-Base interactions energy: -1302.340 where: short stacking energy: -582.189 Base-Backbone interact. energy: -0.618 local terms energy: -504.241127 where: bonds (distance) C4'-P energy: -84.883 bonds (distance) P-C4' energy: -89.378 flat angles C4'-P-C4' energy: -104.407 flat angles P-C4'-P energy: -77.763 tors. eta vs tors. theta energy: -147.810 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: 82 Temperature: 1.050000 Total energy: -1723.762052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.762052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.762052 (E_RNA) where: Base-Base interactions energy: -1224.681 where: short stacking energy: -573.387 Base-Backbone interact. energy: -1.039 local terms energy: -498.041743 where: bonds (distance) C4'-P energy: -88.062 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -106.204 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -150.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1624.511902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.511902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.511902 (E_RNA) where: Base-Base interactions energy: -1189.937 where: short stacking energy: -512.315 Base-Backbone interact. energy: 0.066 local terms energy: -434.640223 where: bonds (distance) C4'-P energy: -73.155 bonds (distance) P-C4' energy: -63.820 flat angles C4'-P-C4' energy: -93.762 flat angles P-C4'-P energy: -68.139 tors. eta vs tors. theta energy: -135.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1616.828229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.828229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.828229 (E_RNA) where: Base-Base interactions energy: -1178.949 where: short stacking energy: -525.580 Base-Backbone interact. energy: 1.299 local terms energy: -439.177942 where: bonds (distance) C4'-P energy: -93.884 bonds (distance) P-C4' energy: -78.333 flat angles C4'-P-C4' energy: -85.618 flat angles P-C4'-P energy: -47.403 tors. eta vs tors. theta energy: -133.940 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: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1543.398883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.398883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.398883 (E_RNA) where: Base-Base interactions energy: -1084.190 where: short stacking energy: -500.543 Base-Backbone interact. energy: 1.121 local terms energy: -460.330124 where: bonds (distance) C4'-P energy: -87.058 bonds (distance) P-C4' energy: -88.266 flat angles C4'-P-C4' energy: -101.672 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -124.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1426.937221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.937221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.937221 (E_RNA) where: Base-Base interactions energy: -996.295 where: short stacking energy: -455.957 Base-Backbone interact. energy: -0.507 local terms energy: -430.134710 where: bonds (distance) C4'-P energy: -76.600 bonds (distance) P-C4' energy: -75.478 flat angles C4'-P-C4' energy: -95.533 flat angles P-C4'-P energy: -54.181 tors. eta vs tors. theta energy: -128.342 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: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1283.329685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.329685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.329685 (E_RNA) where: Base-Base interactions energy: -910.309 where: short stacking energy: -405.887 Base-Backbone interact. energy: -4.331 local terms energy: -368.688755 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -76.473 flat angles C4'-P-C4' energy: -84.035 flat angles P-C4'-P energy: -39.342 tors. eta vs tors. theta energy: -93.772 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: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1150.085824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.085824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.085824 (E_RNA) where: Base-Base interactions energy: -789.284 where: short stacking energy: -370.517 Base-Backbone interact. energy: 1.109 local terms energy: -361.910711 where: bonds (distance) C4'-P energy: -65.735 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -87.669 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: -85.281 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: 83 Temperature: 0.900000 Total energy: -1835.296713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.296713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.296713 (E_RNA) where: Base-Base interactions energy: -1311.064 where: short stacking energy: -566.247 Base-Backbone interact. energy: -1.948 local terms energy: -522.284359 where: bonds (distance) C4'-P energy: -87.833 bonds (distance) P-C4' energy: -103.583 flat angles C4'-P-C4' energy: -112.662 flat angles P-C4'-P energy: -71.399 tors. eta vs tors. theta energy: -146.808 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: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1803.546537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.546537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.546537 (E_RNA) where: Base-Base interactions energy: -1290.270 where: short stacking energy: -554.572 Base-Backbone interact. energy: -1.227 local terms energy: -512.049512 where: bonds (distance) C4'-P energy: -96.286 bonds (distance) P-C4' energy: -91.535 flat angles C4'-P-C4' energy: -101.660 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -153.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1746.620192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.620192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.620192 (E_RNA) where: Base-Base interactions energy: -1250.107 where: short stacking energy: -561.952 Base-Backbone interact. energy: -1.592 local terms energy: -494.921553 where: bonds (distance) C4'-P energy: -96.520 bonds (distance) P-C4' energy: -89.189 flat angles C4'-P-C4' energy: -107.311 flat angles P-C4'-P energy: -66.449 tors. eta vs tors. theta energy: -135.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1749.950211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.950211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.950211 (E_RNA) where: Base-Base interactions energy: -1259.338 where: short stacking energy: -559.185 Base-Backbone interact. energy: -1.670 local terms energy: -488.941393 where: bonds (distance) C4'-P energy: -82.105 bonds (distance) P-C4' energy: -88.926 flat angles C4'-P-C4' energy: -104.836 flat angles P-C4'-P energy: -65.683 tors. eta vs tors. theta energy: -147.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1644.625690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.625690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.625690 (E_RNA) where: Base-Base interactions energy: -1182.166 where: short stacking energy: -524.452 Base-Backbone interact. energy: 0.350 local terms energy: -462.809529 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -102.796 flat angles P-C4'-P energy: -63.435 tors. eta vs tors. theta energy: -133.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1618.392805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.392805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.392805 (E_RNA) where: Base-Base interactions energy: -1169.492 where: short stacking energy: -511.216 Base-Backbone interact. energy: -2.255 local terms energy: -446.645967 where: bonds (distance) C4'-P energy: -69.732 bonds (distance) P-C4' energy: -95.386 flat angles C4'-P-C4' energy: -99.356 flat angles P-C4'-P energy: -60.101 tors. eta vs tors. theta energy: -122.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1507.075550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.075550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.075550 (E_RNA) where: Base-Base interactions energy: -1087.725 where: short stacking energy: -504.551 Base-Backbone interact. energy: 5.324 local terms energy: -424.673815 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -85.918 flat angles C4'-P-C4' energy: -89.038 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -123.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1372.165444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.165444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.165444 (E_RNA) where: Base-Base interactions energy: -964.708 where: short stacking energy: -426.803 Base-Backbone interact. energy: -1.270 local terms energy: -406.186793 where: bonds (distance) C4'-P energy: -69.222 bonds (distance) P-C4' energy: -71.059 flat angles C4'-P-C4' energy: -99.105 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -107.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1403.978820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.978820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.978820 (E_RNA) where: Base-Base interactions energy: -1005.861 where: short stacking energy: -467.510 Base-Backbone interact. energy: -2.646 local terms energy: -395.471610 where: bonds (distance) C4'-P energy: -74.518 bonds (distance) P-C4' energy: -67.987 flat angles C4'-P-C4' energy: -84.525 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -117.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1218.321338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.321338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.321338 (E_RNA) where: Base-Base interactions energy: -843.866 where: short stacking energy: -399.873 Base-Backbone interact. energy: -0.874 local terms energy: -373.581228 where: bonds (distance) C4'-P energy: -75.486 bonds (distance) P-C4' energy: -73.831 flat angles C4'-P-C4' energy: -84.114 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -94.792 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: 84 Temperature: 0.900000 Total energy: -1837.592259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.592259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.592259 (E_RNA) where: Base-Base interactions energy: -1307.203 where: short stacking energy: -579.380 Base-Backbone interact. energy: -0.779 local terms energy: -529.610453 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -97.942 flat angles C4'-P-C4' energy: -116.145 flat angles P-C4'-P energy: -66.114 tors. eta vs tors. theta energy: -149.856 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: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1841.460544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.460544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.460544 (E_RNA) where: Base-Base interactions energy: -1317.063 where: short stacking energy: -591.418 Base-Backbone interact. energy: -1.546 local terms energy: -522.850984 where: bonds (distance) C4'-P energy: -92.935 bonds (distance) P-C4' energy: -97.415 flat angles C4'-P-C4' energy: -110.568 flat angles P-C4'-P energy: -69.866 tors. eta vs tors. theta energy: -152.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1766.952159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.952159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.952159 (E_RNA) where: Base-Base interactions energy: -1279.665 where: short stacking energy: -588.151 Base-Backbone interact. energy: -1.317 local terms energy: -485.970125 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -83.415 flat angles C4'-P-C4' energy: -98.306 flat angles P-C4'-P energy: -71.215 tors. eta vs tors. theta energy: -146.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1681.189396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.189396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.189396 (E_RNA) where: Base-Base interactions energy: -1218.730 where: short stacking energy: -516.933 Base-Backbone interact. energy: -3.792 local terms energy: -458.667899 where: bonds (distance) C4'-P energy: -85.909 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -98.041 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -135.782 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: 84 Temperature: 1.100000 Total energy: -1613.076377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.076377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.076377 (E_RNA) where: Base-Base interactions energy: -1154.041 where: short stacking energy: -497.501 Base-Backbone interact. energy: -0.566 local terms energy: -458.469878 where: bonds (distance) C4'-P energy: -86.346 bonds (distance) P-C4' energy: -86.124 flat angles C4'-P-C4' energy: -98.146 flat angles P-C4'-P energy: -61.506 tors. eta vs tors. theta energy: -126.348 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: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1566.842189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.842189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.842189 (E_RNA) where: Base-Base interactions energy: -1131.477 where: short stacking energy: -509.409 Base-Backbone interact. energy: -3.673 local terms energy: -431.691645 where: bonds (distance) C4'-P energy: -82.406 bonds (distance) P-C4' energy: -61.457 flat angles C4'-P-C4' energy: -100.572 flat angles P-C4'-P energy: -60.904 tors. eta vs tors. theta energy: -126.352 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: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1522.393629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.393629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.393629 (E_RNA) where: Base-Base interactions energy: -1091.275 where: short stacking energy: -486.678 Base-Backbone interact. energy: -0.454 local terms energy: -430.664618 where: bonds (distance) C4'-P energy: -73.934 bonds (distance) P-C4' energy: -83.740 flat angles C4'-P-C4' energy: -98.100 flat angles P-C4'-P energy: -60.623 tors. eta vs tors. theta energy: -114.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1377.037209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.037209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.037209 (E_RNA) where: Base-Base interactions energy: -955.438 where: short stacking energy: -443.208 Base-Backbone interact. energy: -1.483 local terms energy: -420.116657 where: bonds (distance) C4'-P energy: -77.444 bonds (distance) P-C4' energy: -84.703 flat angles C4'-P-C4' energy: -88.211 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -115.064 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: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1381.448418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.448418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.448418 (E_RNA) where: Base-Base interactions energy: -973.283 where: short stacking energy: -437.837 Base-Backbone interact. energy: -0.585 local terms energy: -407.580476 where: bonds (distance) C4'-P energy: -73.949 bonds (distance) P-C4' energy: -68.333 flat angles C4'-P-C4' energy: -90.461 flat angles P-C4'-P energy: -61.337 tors. eta vs tors. theta energy: -113.500 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: 84 Temperature: 1.350000 Total energy: -1274.381993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.381993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.381993 (E_RNA) where: Base-Base interactions energy: -880.619 where: short stacking energy: -412.733 Base-Backbone interact. energy: 0.718 local terms energy: -394.480910 where: bonds (distance) C4'-P energy: -76.983 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -81.672 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -97.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1826.158990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.158990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.158990 (E_RNA) where: Base-Base interactions energy: -1316.353 where: short stacking energy: -575.598 Base-Backbone interact. energy: -1.300 local terms energy: -508.506319 where: bonds (distance) C4'-P energy: -92.710 bonds (distance) P-C4' energy: -95.777 flat angles C4'-P-C4' energy: -109.808 flat angles P-C4'-P energy: -65.124 tors. eta vs tors. theta energy: -145.087 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: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1811.183611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.183611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.183611 (E_RNA) where: Base-Base interactions energy: -1313.658 where: short stacking energy: -584.638 Base-Backbone interact. energy: -0.535 local terms energy: -496.990741 where: bonds (distance) C4'-P energy: -86.851 bonds (distance) P-C4' energy: -86.677 flat angles C4'-P-C4' energy: -101.759 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -144.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1833.184561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.184561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.184561 (E_RNA) where: Base-Base interactions energy: -1316.206 where: short stacking energy: -595.207 Base-Backbone interact. energy: 1.269 local terms energy: -518.247189 where: bonds (distance) C4'-P energy: -92.832 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -113.050 flat angles P-C4'-P energy: -70.814 tors. eta vs tors. theta energy: -158.463 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: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1689.453238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.453238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.453238 (E_RNA) where: Base-Base interactions energy: -1217.742 where: short stacking energy: -525.882 Base-Backbone interact. energy: -3.706 local terms energy: -468.005659 where: bonds (distance) C4'-P energy: -81.097 bonds (distance) P-C4' energy: -89.480 flat angles C4'-P-C4' energy: -94.923 flat angles P-C4'-P energy: -64.077 tors. eta vs tors. theta energy: -138.429 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: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1603.125585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.125585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.125585 (E_RNA) where: Base-Base interactions energy: -1182.995 where: short stacking energy: -515.512 Base-Backbone interact. energy: -4.206 local terms energy: -415.924609 where: bonds (distance) C4'-P energy: -68.828 bonds (distance) P-C4' energy: -62.137 flat angles C4'-P-C4' energy: -97.472 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -132.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1550.499486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.499486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.499486 (E_RNA) where: Base-Base interactions energy: -1103.762 where: short stacking energy: -480.641 Base-Backbone interact. energy: -0.582 local terms energy: -446.155339 where: bonds (distance) C4'-P energy: -81.678 bonds (distance) P-C4' energy: -81.564 flat angles C4'-P-C4' energy: -95.722 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: -125.496 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: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1564.297459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.297459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.297459 (E_RNA) where: Base-Base interactions energy: -1136.800 where: short stacking energy: -502.675 Base-Backbone interact. energy: 0.414 local terms energy: -427.912057 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -88.521 flat angles C4'-P-C4' energy: -92.432 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -132.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1468.763434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.763434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.763434 (E_RNA) where: Base-Base interactions energy: -1060.733 where: short stacking energy: -480.825 Base-Backbone interact. energy: 1.716 local terms energy: -409.747366 where: bonds (distance) C4'-P energy: -72.102 bonds (distance) P-C4' energy: -78.634 flat angles C4'-P-C4' energy: -88.405 flat angles P-C4'-P energy: -45.578 tors. eta vs tors. theta energy: -125.028 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: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1325.609985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.609985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.609985 (E_RNA) where: Base-Base interactions energy: -906.772 where: short stacking energy: -419.357 Base-Backbone interact. energy: 0.533 local terms energy: -419.370896 where: bonds (distance) C4'-P energy: -69.278 bonds (distance) P-C4' energy: -83.927 flat angles C4'-P-C4' energy: -103.794 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1210.639582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.639582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.639582 (E_RNA) where: Base-Base interactions energy: -850.791 where: short stacking energy: -380.058 Base-Backbone interact. energy: -1.961 local terms energy: -357.887065 where: bonds (distance) C4'-P energy: -76.269 bonds (distance) P-C4' energy: -71.454 flat angles C4'-P-C4' energy: -79.943 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -85.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1836.386770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.386770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.386770 (E_RNA) where: Base-Base interactions energy: -1322.652 where: short stacking energy: -589.236 Base-Backbone interact. energy: -2.140 local terms energy: -511.594638 where: bonds (distance) C4'-P energy: -95.281 bonds (distance) P-C4' energy: -101.753 flat angles C4'-P-C4' energy: -100.518 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: -146.489 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: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1809.550012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.550012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.550012 (E_RNA) where: Base-Base interactions energy: -1304.296 where: short stacking energy: -592.874 Base-Backbone interact. energy: -1.351 local terms energy: -503.903107 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -87.803 flat angles C4'-P-C4' energy: -106.230 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -152.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1827.260179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.260179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.260179 (E_RNA) where: Base-Base interactions energy: -1299.383 where: short stacking energy: -587.721 Base-Backbone interact. energy: -2.135 local terms energy: -525.742750 where: bonds (distance) C4'-P energy: -88.983 bonds (distance) P-C4' energy: -96.531 flat angles C4'-P-C4' energy: -108.944 flat angles P-C4'-P energy: -75.208 tors. eta vs tors. theta energy: -156.076 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: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1685.182525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.182525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.182525 (E_RNA) where: Base-Base interactions energy: -1189.456 where: short stacking energy: -516.973 Base-Backbone interact. energy: -2.141 local terms energy: -493.584754 where: bonds (distance) C4'-P energy: -77.245 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -100.603 flat angles P-C4'-P energy: -64.938 tors. eta vs tors. theta energy: -140.174 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: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1611.539119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.539119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.539119 (E_RNA) where: Base-Base interactions energy: -1145.041 where: short stacking energy: -531.425 Base-Backbone interact. energy: 3.977 local terms energy: -470.474591 where: bonds (distance) C4'-P energy: -75.238 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -101.312 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -135.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1549.788990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.788990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.788990 (E_RNA) where: Base-Base interactions energy: -1093.290 where: short stacking energy: -498.529 Base-Backbone interact. energy: -2.054 local terms energy: -454.444686 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -87.835 flat angles C4'-P-C4' energy: -100.782 flat angles P-C4'-P energy: -58.275 tors. eta vs tors. theta energy: -129.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1540.799277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.799277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.799277 (E_RNA) where: Base-Base interactions energy: -1111.592 where: short stacking energy: -498.154 Base-Backbone interact. energy: -2.235 local terms energy: -426.972403 where: bonds (distance) C4'-P energy: -80.096 bonds (distance) P-C4' energy: -67.392 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -58.831 tors. eta vs tors. theta energy: -118.533 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: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1407.363198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.363198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.363198 (E_RNA) where: Base-Base interactions energy: -994.674 where: short stacking energy: -468.226 Base-Backbone interact. energy: -0.750 local terms energy: -411.939509 where: bonds (distance) C4'-P energy: -86.533 bonds (distance) P-C4' energy: -75.556 flat angles C4'-P-C4' energy: -88.455 flat angles P-C4'-P energy: -51.011 tors. eta vs tors. theta energy: -110.384 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: 86 Temperature: 1.300000 Total energy: -1329.127006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.127006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.127006 (E_RNA) where: Base-Base interactions energy: -915.390 where: short stacking energy: -432.763 Base-Backbone interact. energy: -3.395 local terms energy: -410.342361 where: bonds (distance) C4'-P energy: -76.367 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -89.853 flat angles P-C4'-P energy: -68.105 tors. eta vs tors. theta energy: -106.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1232.252683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.252683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.252683 (E_RNA) where: Base-Base interactions energy: -857.297 where: short stacking energy: -407.388 Base-Backbone interact. energy: 2.802 local terms energy: -377.757312 where: bonds (distance) C4'-P energy: -79.367 bonds (distance) P-C4' energy: -68.304 flat angles C4'-P-C4' energy: -89.908 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: -84.737 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: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1823.088162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.088162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.088162 (E_RNA) where: Base-Base interactions energy: -1308.355 where: short stacking energy: -584.847 Base-Backbone interact. energy: -1.475 local terms energy: -513.258471 where: bonds (distance) C4'-P energy: -100.205 bonds (distance) P-C4' energy: -89.249 flat angles C4'-P-C4' energy: -101.482 flat angles P-C4'-P energy: -73.851 tors. eta vs tors. theta energy: -148.471 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: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1882.871778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.871778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.871778 (E_RNA) where: Base-Base interactions energy: -1338.807 where: short stacking energy: -616.247 Base-Backbone interact. energy: -5.329 local terms energy: -538.735291 where: bonds (distance) C4'-P energy: -101.059 bonds (distance) P-C4' energy: -94.132 flat angles C4'-P-C4' energy: -104.440 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -161.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1764.034927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.034927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.034927 (E_RNA) where: Base-Base interactions energy: -1267.234 where: short stacking energy: -582.315 Base-Backbone interact. energy: 4.857 local terms energy: -501.658221 where: bonds (distance) C4'-P energy: -95.919 bonds (distance) P-C4' energy: -85.839 flat angles C4'-P-C4' energy: -100.211 flat angles P-C4'-P energy: -70.851 tors. eta vs tors. theta energy: -148.838 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: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1688.710015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.710015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.710015 (E_RNA) where: Base-Base interactions energy: -1228.213 where: short stacking energy: -526.406 Base-Backbone interact. energy: -3.003 local terms energy: -457.494105 where: bonds (distance) C4'-P energy: -79.782 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -97.379 flat angles P-C4'-P energy: -56.181 tors. eta vs tors. theta energy: -140.584 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: 87 Temperature: 1.100000 Total energy: -1592.882028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.882028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.882028 (E_RNA) where: Base-Base interactions energy: -1127.359 where: short stacking energy: -483.469 Base-Backbone interact. energy: 0.156 local terms energy: -465.679312 where: bonds (distance) C4'-P energy: -81.509 bonds (distance) P-C4' energy: -84.937 flat angles C4'-P-C4' energy: -98.139 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -124.005 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: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1571.822581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.822581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.822581 (E_RNA) where: Base-Base interactions energy: -1130.082 where: short stacking energy: -500.436 Base-Backbone interact. energy: -1.925 local terms energy: -439.816532 where: bonds (distance) C4'-P energy: -81.014 bonds (distance) P-C4' energy: -79.258 flat angles C4'-P-C4' energy: -103.203 flat angles P-C4'-P energy: -53.259 tors. eta vs tors. theta energy: -123.083 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: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1556.668878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.668878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.668878 (E_RNA) where: Base-Base interactions energy: -1123.085 where: short stacking energy: -501.569 Base-Backbone interact. energy: -1.908 local terms energy: -431.675412 where: bonds (distance) C4'-P energy: -82.140 bonds (distance) P-C4' energy: -75.104 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -133.883 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: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1403.301568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.301568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.301568 (E_RNA) where: Base-Base interactions energy: -993.128 where: short stacking energy: -469.828 Base-Backbone interact. energy: -0.234 local terms energy: -409.939277 where: bonds (distance) C4'-P energy: -77.687 bonds (distance) P-C4' energy: -74.348 flat angles C4'-P-C4' energy: -82.671 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: -121.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1326.291250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.291250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.291250 (E_RNA) where: Base-Base interactions energy: -918.722 where: short stacking energy: -417.695 Base-Backbone interact. energy: -0.550 local terms energy: -407.019185 where: bonds (distance) C4'-P energy: -77.248 bonds (distance) P-C4' energy: -78.005 flat angles C4'-P-C4' energy: -87.822 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -108.225 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: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1206.718980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.718980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.718980 (E_RNA) where: Base-Base interactions energy: -827.149 where: short stacking energy: -404.744 Base-Backbone interact. energy: -0.356 local terms energy: -379.214179 where: bonds (distance) C4'-P energy: -67.152 bonds (distance) P-C4' energy: -80.546 flat angles C4'-P-C4' energy: -83.394 flat angles P-C4'-P energy: -41.016 tors. eta vs tors. theta energy: -107.105 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: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1905.514174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.514174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.514174 (E_RNA) where: Base-Base interactions energy: -1366.377 where: short stacking energy: -628.300 Base-Backbone interact. energy: -2.941 local terms energy: -536.196304 where: bonds (distance) C4'-P energy: -86.783 bonds (distance) P-C4' energy: -103.722 flat angles C4'-P-C4' energy: -108.812 flat angles P-C4'-P energy: -71.222 tors. eta vs tors. theta energy: -165.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1813.442669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.442669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.442669 (E_RNA) where: Base-Base interactions energy: -1295.718 where: short stacking energy: -589.171 Base-Backbone interact. energy: -0.217 local terms energy: -517.507329 where: bonds (distance) C4'-P energy: -104.027 bonds (distance) P-C4' energy: -86.122 flat angles C4'-P-C4' energy: -105.497 flat angles P-C4'-P energy: -72.359 tors. eta vs tors. theta energy: -149.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1781.304726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.304726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.304726 (E_RNA) where: Base-Base interactions energy: -1281.208 where: short stacking energy: -584.963 Base-Backbone interact. energy: -1.806 local terms energy: -498.290061 where: bonds (distance) C4'-P energy: -80.587 bonds (distance) P-C4' energy: -92.295 flat angles C4'-P-C4' energy: -104.328 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -151.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1674.515466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.515466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.515466 (E_RNA) where: Base-Base interactions energy: -1189.500 where: short stacking energy: -488.473 Base-Backbone interact. energy: -3.633 local terms energy: -481.382093 where: bonds (distance) C4'-P energy: -91.679 bonds (distance) P-C4' energy: -81.642 flat angles C4'-P-C4' energy: -98.348 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -143.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1642.426546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.426546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.426546 (E_RNA) where: Base-Base interactions energy: -1182.007 where: short stacking energy: -507.472 Base-Backbone interact. energy: -5.281 local terms energy: -455.138392 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -83.557 flat angles C4'-P-C4' energy: -94.579 flat angles P-C4'-P energy: -60.462 tors. eta vs tors. theta energy: -134.563 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: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1623.326389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.326389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.326389 (E_RNA) where: Base-Base interactions energy: -1158.265 where: short stacking energy: -534.944 Base-Backbone interact. energy: -2.074 local terms energy: -462.987535 where: bonds (distance) C4'-P energy: -68.997 bonds (distance) P-C4' energy: -84.214 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -65.824 tors. eta vs tors. theta energy: -141.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1557.547612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.547612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.547612 (E_RNA) where: Base-Base interactions energy: -1124.075 where: short stacking energy: -482.124 Base-Backbone interact. energy: 0.675 local terms energy: -434.147343 where: bonds (distance) C4'-P energy: -87.999 bonds (distance) P-C4' energy: -76.566 flat angles C4'-P-C4' energy: -98.448 flat angles P-C4'-P energy: -46.780 tors. eta vs tors. theta energy: -124.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1396.209766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.209766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.209766 (E_RNA) where: Base-Base interactions energy: -991.099 where: short stacking energy: -451.748 Base-Backbone interact. energy: -1.438 local terms energy: -403.672424 where: bonds (distance) C4'-P energy: -66.223 bonds (distance) P-C4' energy: -88.006 flat angles C4'-P-C4' energy: -96.807 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -111.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1309.705697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.705697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.705697 (E_RNA) where: Base-Base interactions energy: -917.393 where: short stacking energy: -408.901 Base-Backbone interact. energy: -0.737 local terms energy: -391.575330 where: bonds (distance) C4'-P energy: -56.342 bonds (distance) P-C4' energy: -85.114 flat angles C4'-P-C4' energy: -103.319 flat angles P-C4'-P energy: -45.023 tors. eta vs tors. theta energy: -101.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1197.039101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.039101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.039101 (E_RNA) where: Base-Base interactions energy: -851.219 where: short stacking energy: -361.918 Base-Backbone interact. energy: 6.272 local terms energy: -352.092196 where: bonds (distance) C4'-P energy: -75.465 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -53.388 tors. eta vs tors. theta energy: -81.618 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: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1894.737006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.737006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.737006 (E_RNA) where: Base-Base interactions energy: -1337.889 where: short stacking energy: -619.353 Base-Backbone interact. energy: -3.439 local terms energy: -553.408869 where: bonds (distance) C4'-P energy: -94.717 bonds (distance) P-C4' energy: -106.848 flat angles C4'-P-C4' energy: -108.003 flat angles P-C4'-P energy: -76.540 tors. eta vs tors. theta energy: -167.301 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: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1809.360488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.360488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.360488 (E_RNA) where: Base-Base interactions energy: -1290.638 where: short stacking energy: -584.408 Base-Backbone interact. energy: -3.368 local terms energy: -515.354442 where: bonds (distance) C4'-P energy: -102.452 bonds (distance) P-C4' energy: -85.341 flat angles C4'-P-C4' energy: -108.260 flat angles P-C4'-P energy: -68.682 tors. eta vs tors. theta energy: -150.621 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: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1772.026672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.026672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.026672 (E_RNA) where: Base-Base interactions energy: -1263.344 where: short stacking energy: -572.505 Base-Backbone interact. energy: 0.092 local terms energy: -508.774586 where: bonds (distance) C4'-P energy: -97.222 bonds (distance) P-C4' energy: -75.159 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -77.369 tors. eta vs tors. theta energy: -153.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1657.247977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.247977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.247977 (E_RNA) where: Base-Base interactions energy: -1181.267 where: short stacking energy: -500.602 Base-Backbone interact. energy: -3.148 local terms energy: -472.833219 where: bonds (distance) C4'-P energy: -80.249 bonds (distance) P-C4' energy: -96.172 flat angles C4'-P-C4' energy: -99.679 flat angles P-C4'-P energy: -70.424 tors. eta vs tors. theta energy: -126.309 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: 9 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1659.269457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.269457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.269457 (E_RNA) where: Base-Base interactions energy: -1169.860 where: short stacking energy: -534.761 Base-Backbone interact. energy: 3.136 local terms energy: -492.545226 where: bonds (distance) C4'-P energy: -88.938 bonds (distance) P-C4' energy: -82.354 flat angles C4'-P-C4' energy: -101.159 flat angles P-C4'-P energy: -77.292 tors. eta vs tors. theta energy: -142.802 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: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1593.046068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.046068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.046068 (E_RNA) where: Base-Base interactions energy: -1180.859 where: short stacking energy: -535.090 Base-Backbone interact. energy: 0.779 local terms energy: -412.965827 where: bonds (distance) C4'-P energy: -57.943 bonds (distance) P-C4' energy: -66.991 flat angles C4'-P-C4' energy: -98.704 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: -140.337 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1624.515266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.515266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.515266 (E_RNA) where: Base-Base interactions energy: -1192.107 where: short stacking energy: -525.221 Base-Backbone interact. energy: 7.140 local terms energy: -439.547806 where: bonds (distance) C4'-P energy: -90.397 bonds (distance) P-C4' energy: -67.303 flat angles C4'-P-C4' energy: -92.937 flat angles P-C4'-P energy: -58.352 tors. eta vs tors. theta energy: -130.559 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: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1448.882427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.882427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.882427 (E_RNA) where: Base-Base interactions energy: -1037.428 where: short stacking energy: -433.638 Base-Backbone interact. energy: -1.548 local terms energy: -409.906726 where: bonds (distance) C4'-P energy: -68.080 bonds (distance) P-C4' energy: -83.045 flat angles C4'-P-C4' energy: -86.783 flat angles P-C4'-P energy: -60.189 tors. eta vs tors. theta energy: -111.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1346.073809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.073809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.073809 (E_RNA) where: Base-Base interactions energy: -942.509 where: short stacking energy: -447.559 Base-Backbone interact. energy: -0.130 local terms energy: -403.434505 where: bonds (distance) C4'-P energy: -71.688 bonds (distance) P-C4' energy: -79.737 flat angles C4'-P-C4' energy: -85.020 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -108.088 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: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1224.735876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.735876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.735876 (E_RNA) where: Base-Base interactions energy: -863.862 where: short stacking energy: -405.720 Base-Backbone interact. energy: -0.332 local terms energy: -360.541775 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -75.214 flat angles C4'-P-C4' energy: -86.550 flat angles P-C4'-P energy: -39.371 tors. eta vs tors. theta energy: -91.982 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: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1911.278490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.278490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.278490 (E_RNA) where: Base-Base interactions energy: -1364.776 where: short stacking energy: -627.714 Base-Backbone interact. energy: -1.547 local terms energy: -544.956199 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -92.980 flat angles C4'-P-C4' energy: -111.235 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -168.227 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: 90 Temperature: 0.950000 Total energy: -1793.480801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.480801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.480801 (E_RNA) where: Base-Base interactions energy: -1283.401 where: short stacking energy: -580.991 Base-Backbone interact. energy: -2.785 local terms energy: -507.294733 where: bonds (distance) C4'-P energy: -93.885 bonds (distance) P-C4' energy: -89.284 flat angles C4'-P-C4' energy: -108.513 flat angles P-C4'-P energy: -64.896 tors. eta vs tors. theta energy: -150.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1755.158138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.158138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.158138 (E_RNA) where: Base-Base interactions energy: -1262.686 where: short stacking energy: -573.833 Base-Backbone interact. energy: -0.662 local terms energy: -491.809960 where: bonds (distance) C4'-P energy: -82.310 bonds (distance) P-C4' energy: -86.708 flat angles C4'-P-C4' energy: -101.353 flat angles P-C4'-P energy: -73.399 tors. eta vs tors. theta energy: -148.040 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: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1656.487715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.487715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.487715 (E_RNA) where: Base-Base interactions energy: -1175.859 where: short stacking energy: -509.396 Base-Backbone interact. energy: -4.648 local terms energy: -475.980904 where: bonds (distance) C4'-P energy: -82.854 bonds (distance) P-C4' energy: -96.078 flat angles C4'-P-C4' energy: -102.234 flat angles P-C4'-P energy: -61.120 tors. eta vs tors. theta energy: -133.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1664.847435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.847435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.847435 (E_RNA) where: Base-Base interactions energy: -1177.978 where: short stacking energy: -514.702 Base-Backbone interact. energy: -0.505 local terms energy: -486.364968 where: bonds (distance) C4'-P energy: -96.059 bonds (distance) P-C4' energy: -87.328 flat angles C4'-P-C4' energy: -100.090 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -140.156 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: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1602.595519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.595519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.595519 (E_RNA) where: Base-Base interactions energy: -1178.197 where: short stacking energy: -543.035 Base-Backbone interact. energy: -1.235 local terms energy: -423.163960 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -85.117 flat angles P-C4'-P energy: -59.338 tors. eta vs tors. theta energy: -135.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1580.282580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.282580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.282580 (E_RNA) where: Base-Base interactions energy: -1129.698 where: short stacking energy: -485.200 Base-Backbone interact. energy: -2.641 local terms energy: -447.943110 where: bonds (distance) C4'-P energy: -69.648 bonds (distance) P-C4' energy: -76.522 flat angles C4'-P-C4' energy: -98.917 flat angles P-C4'-P energy: -68.748 tors. eta vs tors. theta energy: -134.109 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: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1428.851392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.851392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.851392 (E_RNA) where: Base-Base interactions energy: -1016.663 where: short stacking energy: -477.104 Base-Backbone interact. energy: -3.272 local terms energy: -408.916214 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -71.897 flat angles C4'-P-C4' energy: -92.937 flat angles P-C4'-P energy: -64.434 tors. eta vs tors. theta energy: -118.327 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: -1319.480230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.480230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.480230 (E_RNA) where: Base-Base interactions energy: -934.921 where: short stacking energy: -433.730 Base-Backbone interact. energy: -0.113 local terms energy: -384.446036 where: bonds (distance) C4'-P energy: -71.606 bonds (distance) P-C4' energy: -74.922 flat angles C4'-P-C4' energy: -90.016 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -103.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1242.772721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.772721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.772721 (E_RNA) where: Base-Base interactions energy: -880.523 where: short stacking energy: -408.482 Base-Backbone interact. energy: -0.187 local terms energy: -362.062918 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -74.495 flat angles C4'-P-C4' energy: -82.502 flat angles P-C4'-P energy: -47.983 tors. eta vs tors. theta energy: -93.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1915.699715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.699715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.699715 (E_RNA) where: Base-Base interactions energy: -1352.844 where: short stacking energy: -616.119 Base-Backbone interact. energy: -5.000 local terms energy: -557.854995 where: bonds (distance) C4'-P energy: -103.975 bonds (distance) P-C4' energy: -99.404 flat angles C4'-P-C4' energy: -113.387 flat angles P-C4'-P energy: -76.950 tors. eta vs tors. theta energy: -164.140 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: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1819.878964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.878964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.878964 (E_RNA) where: Base-Base interactions energy: -1317.665 where: short stacking energy: -597.781 Base-Backbone interact. energy: -2.467 local terms energy: -499.747226 where: bonds (distance) C4'-P energy: -78.580 bonds (distance) P-C4' energy: -94.659 flat angles C4'-P-C4' energy: -103.505 flat angles P-C4'-P energy: -70.932 tors. eta vs tors. theta energy: -152.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1759.285848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.285848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.285848 (E_RNA) where: Base-Base interactions energy: -1250.369 where: short stacking energy: -578.714 Base-Backbone interact. energy: -1.073 local terms energy: -507.843000 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -88.547 flat angles C4'-P-C4' energy: -107.260 flat angles P-C4'-P energy: -71.348 tors. eta vs tors. theta energy: -150.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1655.606619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.606619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.606619 (E_RNA) where: Base-Base interactions energy: -1198.172 where: short stacking energy: -513.369 Base-Backbone interact. energy: -1.789 local terms energy: -455.646175 where: bonds (distance) C4'-P energy: -65.257 bonds (distance) P-C4' energy: -85.836 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -66.837 tors. eta vs tors. theta energy: -130.387 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: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1642.585594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.585594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.585594 (E_RNA) where: Base-Base interactions energy: -1190.620 where: short stacking energy: -494.379 Base-Backbone interact. energy: -0.283 local terms energy: -451.682865 where: bonds (distance) C4'-P energy: -68.229 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -91.347 flat angles P-C4'-P energy: -65.224 tors. eta vs tors. theta energy: -135.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1625.289754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.289754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.289754 (E_RNA) where: Base-Base interactions energy: -1151.354 where: short stacking energy: -516.557 Base-Backbone interact. energy: 3.404 local terms energy: -477.339965 where: bonds (distance) C4'-P energy: -67.756 bonds (distance) P-C4' energy: -100.749 flat angles C4'-P-C4' energy: -102.560 flat angles P-C4'-P energy: -59.737 tors. eta vs tors. theta energy: -146.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1513.649628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.649628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.649628 (E_RNA) where: Base-Base interactions energy: -1077.419 where: short stacking energy: -464.329 Base-Backbone interact. energy: -3.504 local terms energy: -432.726184 where: bonds (distance) C4'-P energy: -69.304 bonds (distance) P-C4' energy: -87.044 flat angles C4'-P-C4' energy: -101.689 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -123.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1434.943206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.943206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.943206 (E_RNA) where: Base-Base interactions energy: -1011.278 where: short stacking energy: -470.407 Base-Backbone interact. energy: -1.346 local terms energy: -422.319165 where: bonds (distance) C4'-P energy: -67.892 bonds (distance) P-C4' energy: -75.919 flat angles C4'-P-C4' energy: -94.536 flat angles P-C4'-P energy: -62.408 tors. eta vs tors. theta energy: -121.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1328.176820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.176820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.176820 (E_RNA) where: Base-Base interactions energy: -933.507 where: short stacking energy: -411.434 Base-Backbone interact. energy: 0.830 local terms energy: -395.500295 where: bonds (distance) C4'-P energy: -83.641 bonds (distance) P-C4' energy: -78.584 flat angles C4'-P-C4' energy: -86.449 flat angles P-C4'-P energy: -40.472 tors. eta vs tors. theta energy: -106.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1270.169470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.169470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.169470 (E_RNA) where: Base-Base interactions energy: -900.433 where: short stacking energy: -422.036 Base-Backbone interact. energy: -1.077 local terms energy: -368.659680 where: bonds (distance) C4'-P energy: -59.620 bonds (distance) P-C4' energy: -60.674 flat angles C4'-P-C4' energy: -75.815 flat angles P-C4'-P energy: -71.329 tors. eta vs tors. theta energy: -101.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1895.862117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.862117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.862117 (E_RNA) where: Base-Base interactions energy: -1350.569 where: short stacking energy: -614.622 Base-Backbone interact. energy: -4.215 local terms energy: -541.078106 where: bonds (distance) C4'-P energy: -96.970 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -118.219 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -164.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1801.788345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.788345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.788345 (E_RNA) where: Base-Base interactions energy: -1310.537 where: short stacking energy: -582.444 Base-Backbone interact. energy: -2.408 local terms energy: -488.843716 where: bonds (distance) C4'-P energy: -86.667 bonds (distance) P-C4' energy: -84.780 flat angles C4'-P-C4' energy: -103.008 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -151.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1769.036690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.036690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.036690 (E_RNA) where: Base-Base interactions energy: -1280.290 where: short stacking energy: -592.840 Base-Backbone interact. energy: -1.189 local terms energy: -487.557855 where: bonds (distance) C4'-P energy: -78.599 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -98.878 flat angles P-C4'-P energy: -72.685 tors. eta vs tors. theta energy: -153.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1677.735427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.735427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.735427 (E_RNA) where: Base-Base interactions energy: -1214.950 where: short stacking energy: -498.396 Base-Backbone interact. energy: -3.376 local terms energy: -459.409392 where: bonds (distance) C4'-P energy: -79.770 bonds (distance) P-C4' energy: -84.270 flat angles C4'-P-C4' energy: -103.515 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -122.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1680.020465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.020465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.020465 (E_RNA) where: Base-Base interactions energy: -1205.888 where: short stacking energy: -535.336 Base-Backbone interact. energy: 0.330 local terms energy: -474.461903 where: bonds (distance) C4'-P energy: -92.466 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -96.692 flat angles P-C4'-P energy: -65.687 tors. eta vs tors. theta energy: -138.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1588.641468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.641468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.641468 (E_RNA) where: Base-Base interactions energy: -1165.026 where: short stacking energy: -490.009 Base-Backbone interact. energy: 2.174 local terms energy: -425.789976 where: bonds (distance) C4'-P energy: -55.094 bonds (distance) P-C4' energy: -77.248 flat angles C4'-P-C4' energy: -107.780 flat angles P-C4'-P energy: -61.920 tors. eta vs tors. theta energy: -123.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1508.763072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.763072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.763072 (E_RNA) where: Base-Base interactions energy: -1075.119 where: short stacking energy: -512.885 Base-Backbone interact. energy: -0.952 local terms energy: -432.691735 where: bonds (distance) C4'-P energy: -67.761 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -94.806 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -127.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1446.353184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.353184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.353184 (E_RNA) where: Base-Base interactions energy: -1025.181 where: short stacking energy: -449.783 Base-Backbone interact. energy: 0.407 local terms energy: -421.579525 where: bonds (distance) C4'-P energy: -70.957 bonds (distance) P-C4' energy: -91.536 flat angles C4'-P-C4' energy: -83.671 flat angles P-C4'-P energy: -65.500 tors. eta vs tors. theta energy: -109.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1336.721879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.721879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.721879 (E_RNA) where: Base-Base interactions energy: -926.597 where: short stacking energy: -419.038 Base-Backbone interact. energy: -0.645 local terms energy: -409.480107 where: bonds (distance) C4'-P energy: -63.967 bonds (distance) P-C4' energy: -88.071 flat angles C4'-P-C4' energy: -88.698 flat angles P-C4'-P energy: -58.114 tors. eta vs tors. theta energy: -110.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1234.689728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.689728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.689728 (E_RNA) where: Base-Base interactions energy: -843.202 where: short stacking energy: -404.167 Base-Backbone interact. energy: -2.827 local terms energy: -388.661313 where: bonds (distance) C4'-P energy: -74.329 bonds (distance) P-C4' energy: -88.841 flat angles C4'-P-C4' energy: -89.561 flat angles P-C4'-P energy: -34.258 tors. eta vs tors. theta energy: -101.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1910.140119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.140119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.140119 (E_RNA) where: Base-Base interactions energy: -1365.855 where: short stacking energy: -610.412 Base-Backbone interact. energy: -2.459 local terms energy: -541.826299 where: bonds (distance) C4'-P energy: -85.458 bonds (distance) P-C4' energy: -101.636 flat angles C4'-P-C4' energy: -107.633 flat angles P-C4'-P energy: -86.979 tors. eta vs tors. theta energy: -160.120 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: 93 Temperature: 0.950000 Total energy: -1786.426882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.426882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.426882 (E_RNA) where: Base-Base interactions energy: -1266.213 where: short stacking energy: -593.783 Base-Backbone interact. energy: -2.100 local terms energy: -518.113797 where: bonds (distance) C4'-P energy: -89.428 bonds (distance) P-C4' energy: -95.089 flat angles C4'-P-C4' energy: -113.539 flat angles P-C4'-P energy: -66.248 tors. eta vs tors. theta energy: -153.809 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: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1761.225177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.225177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.225177 (E_RNA) where: Base-Base interactions energy: -1265.905 where: short stacking energy: -548.877 Base-Backbone interact. energy: -2.103 local terms energy: -493.217076 where: bonds (distance) C4'-P energy: -90.540 bonds (distance) P-C4' energy: -95.147 flat angles C4'-P-C4' energy: -107.353 flat angles P-C4'-P energy: -62.810 tors. eta vs tors. theta energy: -137.367 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: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1745.277510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.277510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.277510 (E_RNA) where: Base-Base interactions energy: -1252.127 where: short stacking energy: -577.807 Base-Backbone interact. energy: -2.105 local terms energy: -491.045736 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -78.472 flat angles C4'-P-C4' energy: -105.877 flat angles P-C4'-P energy: -65.044 tors. eta vs tors. theta energy: -157.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1669.323914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.323914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.323914 (E_RNA) where: Base-Base interactions energy: -1199.034 where: short stacking energy: -505.258 Base-Backbone interact. energy: -6.133 local terms energy: -464.156791 where: bonds (distance) C4'-P energy: -84.187 bonds (distance) P-C4' energy: -86.914 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -126.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1624.135304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.135304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.135304 (E_RNA) where: Base-Base interactions energy: -1162.046 where: short stacking energy: -509.240 Base-Backbone interact. energy: 0.265 local terms energy: -462.354198 where: bonds (distance) C4'-P energy: -81.609 bonds (distance) P-C4' energy: -90.463 flat angles C4'-P-C4' energy: -99.691 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: -128.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1497.816565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.816565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.816565 (E_RNA) where: Base-Base interactions energy: -1048.632 where: short stacking energy: -486.566 Base-Backbone interact. energy: -0.879 local terms energy: -448.305925 where: bonds (distance) C4'-P energy: -82.185 bonds (distance) P-C4' energy: -72.977 flat angles C4'-P-C4' energy: -112.818 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: -115.663 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: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1446.884691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.884691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.884691 (E_RNA) where: Base-Base interactions energy: -1048.369 where: short stacking energy: -458.555 Base-Backbone interact. energy: -0.198 local terms energy: -398.317717 where: bonds (distance) C4'-P energy: -69.989 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -91.881 flat angles P-C4'-P energy: -60.137 tors. eta vs tors. theta energy: -106.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1412.571822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.571822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.571822 (E_RNA) where: Base-Base interactions energy: -997.172 where: short stacking energy: -484.130 Base-Backbone interact. energy: -0.620 local terms energy: -414.780081 where: bonds (distance) C4'-P energy: -78.709 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -91.228 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -115.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1209.910464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.910464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.910464 (E_RNA) where: Base-Base interactions energy: -854.815 where: short stacking energy: -363.136 Base-Backbone interact. energy: -1.363 local terms energy: -353.732772 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -90.090 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -88.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1911.379573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.379573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.379573 (E_RNA) where: Base-Base interactions energy: -1346.424 where: short stacking energy: -623.578 Base-Backbone interact. energy: -1.784 local terms energy: -563.171503 where: bonds (distance) C4'-P energy: -100.503 bonds (distance) P-C4' energy: -98.298 flat angles C4'-P-C4' energy: -115.810 flat angles P-C4'-P energy: -82.654 tors. eta vs tors. theta energy: -165.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1807.921305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.921305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.921305 (E_RNA) where: Base-Base interactions energy: -1294.525 where: short stacking energy: -596.256 Base-Backbone interact. energy: 0.034 local terms energy: -513.430277 where: bonds (distance) C4'-P energy: -93.285 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -114.323 flat angles P-C4'-P energy: -68.764 tors. eta vs tors. theta energy: -151.620 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: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1778.266003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.266003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.266003 (E_RNA) where: Base-Base interactions energy: -1274.900 where: short stacking energy: -596.290 Base-Backbone interact. energy: 0.219 local terms energy: -503.584316 where: bonds (distance) C4'-P energy: -87.515 bonds (distance) P-C4' energy: -90.631 flat angles C4'-P-C4' energy: -95.671 flat angles P-C4'-P energy: -74.975 tors. eta vs tors. theta energy: -154.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1735.915391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.915391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.915391 (E_RNA) where: Base-Base interactions energy: -1238.846 where: short stacking energy: -548.791 Base-Backbone interact. energy: -0.984 local terms energy: -496.086191 where: bonds (distance) C4'-P energy: -89.750 bonds (distance) P-C4' energy: -88.711 flat angles C4'-P-C4' energy: -100.464 flat angles P-C4'-P energy: -70.057 tors. eta vs tors. theta energy: -147.104 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: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1673.876030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.876030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.876030 (E_RNA) where: Base-Base interactions energy: -1186.212 where: short stacking energy: -509.180 Base-Backbone interact. energy: -1.392 local terms energy: -486.271568 where: bonds (distance) C4'-P energy: -79.464 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -138.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1569.518944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.518944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.518944 (E_RNA) where: Base-Base interactions energy: -1129.239 where: short stacking energy: -480.952 Base-Backbone interact. energy: -1.719 local terms energy: -438.560372 where: bonds (distance) C4'-P energy: -91.762 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -91.953 flat angles P-C4'-P energy: -57.924 tors. eta vs tors. theta energy: -123.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1529.910159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.910159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.910159 (E_RNA) where: Base-Base interactions energy: -1103.051 where: short stacking energy: -523.859 Base-Backbone interact. energy: -2.306 local terms energy: -424.553194 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -75.277 flat angles C4'-P-C4' energy: -97.070 flat angles P-C4'-P energy: -55.128 tors. eta vs tors. theta energy: -135.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1451.120333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.120333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.120333 (E_RNA) where: Base-Base interactions energy: -1027.696 where: short stacking energy: -479.748 Base-Backbone interact. energy: -2.676 local terms energy: -420.748677 where: bonds (distance) C4'-P energy: -72.120 bonds (distance) P-C4' energy: -92.430 flat angles C4'-P-C4' energy: -94.516 flat angles P-C4'-P energy: -50.654 tors. eta vs tors. theta energy: -111.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1422.613856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.613856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.613856 (E_RNA) where: Base-Base interactions energy: -994.375 where: short stacking energy: -475.201 Base-Backbone interact. energy: -2.612 local terms energy: -425.626268 where: bonds (distance) C4'-P energy: -72.024 bonds (distance) P-C4' energy: -80.099 flat angles C4'-P-C4' energy: -92.200 flat angles P-C4'-P energy: -59.691 tors. eta vs tors. theta energy: -121.613 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: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1161.066086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.066086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.066086 (E_RNA) where: Base-Base interactions energy: -798.098 where: short stacking energy: -385.012 Base-Backbone interact. energy: 0.774 local terms energy: -363.742337 where: bonds (distance) C4'-P energy: -72.204 bonds (distance) P-C4' energy: -63.890 flat angles C4'-P-C4' energy: -86.923 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -90.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1922.477926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.477926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.477926 (E_RNA) where: Base-Base interactions energy: -1361.257 where: short stacking energy: -628.248 Base-Backbone interact. energy: -2.303 local terms energy: -558.917871 where: bonds (distance) C4'-P energy: -104.864 bonds (distance) P-C4' energy: -92.924 flat angles C4'-P-C4' energy: -118.348 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -165.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1806.282175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.282175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.282175 (E_RNA) where: Base-Base interactions energy: -1297.674 where: short stacking energy: -583.140 Base-Backbone interact. energy: -0.125 local terms energy: -508.483201 where: bonds (distance) C4'-P energy: -85.978 bonds (distance) P-C4' energy: -93.400 flat angles C4'-P-C4' energy: -106.187 flat angles P-C4'-P energy: -70.811 tors. eta vs tors. theta energy: -152.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1763.873303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.873303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.873303 (E_RNA) where: Base-Base interactions energy: -1302.811 where: short stacking energy: -564.393 Base-Backbone interact. energy: -1.978 local terms energy: -459.083583 where: bonds (distance) C4'-P energy: -70.210 bonds (distance) P-C4' energy: -76.339 flat angles C4'-P-C4' energy: -96.735 flat angles P-C4'-P energy: -64.329 tors. eta vs tors. theta energy: -151.471 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: 95 Temperature: 1.050000 Total energy: -1680.523117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.523117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.523117 (E_RNA) where: Base-Base interactions energy: -1184.083 where: short stacking energy: -516.774 Base-Backbone interact. energy: -2.687 local terms energy: -493.753159 where: bonds (distance) C4'-P energy: -77.853 bonds (distance) P-C4' energy: -90.386 flat angles C4'-P-C4' energy: -111.528 flat angles P-C4'-P energy: -74.875 tors. eta vs tors. theta energy: -139.111 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: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1711.245243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.245243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.245243 (E_RNA) where: Base-Base interactions energy: -1236.312 where: short stacking energy: -542.221 Base-Backbone interact. energy: 0.912 local terms energy: -475.846150 where: bonds (distance) C4'-P energy: -97.698 bonds (distance) P-C4' energy: -84.696 flat angles C4'-P-C4' energy: -101.717 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -142.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1579.783288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.783288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.783288 (E_RNA) where: Base-Base interactions energy: -1152.631 where: short stacking energy: -518.243 Base-Backbone interact. energy: -1.296 local terms energy: -425.856609 where: bonds (distance) C4'-P energy: -79.830 bonds (distance) P-C4' energy: -71.056 flat angles C4'-P-C4' energy: -94.796 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: -124.797 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: 7, replica: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1556.348340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.348340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.348340 (E_RNA) where: Base-Base interactions energy: -1143.200 where: short stacking energy: -510.047 Base-Backbone interact. energy: 2.048 local terms energy: -415.196856 where: bonds (distance) C4'-P energy: -72.781 bonds (distance) P-C4' energy: -66.296 flat angles C4'-P-C4' energy: -80.150 flat angles P-C4'-P energy: -61.291 tors. eta vs tors. theta energy: -134.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1507.547916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.547916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.547916 (E_RNA) where: Base-Base interactions energy: -1083.211 where: short stacking energy: -508.656 Base-Backbone interact. energy: -0.704 local terms energy: -423.632235 where: bonds (distance) C4'-P energy: -68.374 bonds (distance) P-C4' energy: -71.622 flat angles C4'-P-C4' energy: -97.656 flat angles P-C4'-P energy: -50.075 tors. eta vs tors. theta energy: -135.906 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: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1437.709608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.709608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.709608 (E_RNA) where: Base-Base interactions energy: -1028.970 where: short stacking energy: -468.342 Base-Backbone interact. energy: -1.687 local terms energy: -407.053021 where: bonds (distance) C4'-P energy: -63.972 bonds (distance) P-C4' energy: -83.636 flat angles C4'-P-C4' energy: -97.688 flat angles P-C4'-P energy: -54.915 tors. eta vs tors. theta energy: -106.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1185.146960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.146960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.146960 (E_RNA) where: Base-Base interactions energy: -826.207 where: short stacking energy: -401.770 Base-Backbone interact. energy: -0.688 local terms energy: -358.252347 where: bonds (distance) C4'-P energy: -75.513 bonds (distance) P-C4' energy: -60.697 flat angles C4'-P-C4' energy: -75.528 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -99.016 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: 96 Temperature: 0.900000 Total energy: -1913.153297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.153297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.153297 (E_RNA) where: Base-Base interactions energy: -1368.984 where: short stacking energy: -626.867 Base-Backbone interact. energy: -0.991 local terms energy: -543.178895 where: bonds (distance) C4'-P energy: -95.668 bonds (distance) P-C4' energy: -91.791 flat angles C4'-P-C4' energy: -121.051 flat angles P-C4'-P energy: -68.556 tors. eta vs tors. theta energy: -166.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1821.557082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.557082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.557082 (E_RNA) where: Base-Base interactions energy: -1283.353 where: short stacking energy: -569.578 Base-Backbone interact. energy: -1.021 local terms energy: -537.183186 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -92.867 flat angles C4'-P-C4' energy: -112.054 flat angles P-C4'-P energy: -73.383 tors. eta vs tors. theta energy: -155.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1705.915817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.915817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.915817 (E_RNA) where: Base-Base interactions energy: -1216.443 where: short stacking energy: -535.982 Base-Backbone interact. energy: -1.858 local terms energy: -487.614603 where: bonds (distance) C4'-P energy: -84.408 bonds (distance) P-C4' energy: -91.834 flat angles C4'-P-C4' energy: -110.276 flat angles P-C4'-P energy: -59.197 tors. eta vs tors. theta energy: -141.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1758.304594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.304594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.304594 (E_RNA) where: Base-Base interactions energy: -1283.986 where: short stacking energy: -572.713 Base-Backbone interact. energy: -2.320 local terms energy: -471.998568 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -80.041 flat angles C4'-P-C4' energy: -97.742 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -145.986 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: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1730.122673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.122673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.122673 (E_RNA) where: Base-Base interactions energy: -1260.459 where: short stacking energy: -538.332 Base-Backbone interact. energy: -4.170 local terms energy: -465.493259 where: bonds (distance) C4'-P energy: -80.332 bonds (distance) P-C4' energy: -75.228 flat angles C4'-P-C4' energy: -97.987 flat angles P-C4'-P energy: -65.770 tors. eta vs tors. theta energy: -146.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1586.994198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.994198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.994198 (E_RNA) where: Base-Base interactions energy: -1153.845 where: short stacking energy: -501.542 Base-Backbone interact. energy: 2.443 local terms energy: -435.591755 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -79.718 flat angles C4'-P-C4' energy: -91.855 flat angles P-C4'-P energy: -64.319 tors. eta vs tors. theta energy: -120.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1549.445197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.445197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.445197 (E_RNA) where: Base-Base interactions energy: -1121.597 where: short stacking energy: -503.072 Base-Backbone interact. energy: -0.438 local terms energy: -427.409632 where: bonds (distance) C4'-P energy: -76.200 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -111.135 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -125.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1503.023196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.023196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.023196 (E_RNA) where: Base-Base interactions energy: -1063.206 where: short stacking energy: -524.351 Base-Backbone interact. energy: 0.973 local terms energy: -440.789531 where: bonds (distance) C4'-P energy: -79.810 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -89.656 flat angles P-C4'-P energy: -56.152 tors. eta vs tors. theta energy: -141.523 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: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1379.564128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.564128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.564128 (E_RNA) where: Base-Base interactions energy: -991.431 where: short stacking energy: -453.135 Base-Backbone interact. energy: -1.575 local terms energy: -386.558091 where: bonds (distance) C4'-P energy: -68.450 bonds (distance) P-C4' energy: -79.920 flat angles C4'-P-C4' energy: -88.898 flat angles P-C4'-P energy: -40.171 tors. eta vs tors. theta energy: -109.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1152.148129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.148129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.148129 (E_RNA) where: Base-Base interactions energy: -773.932 where: short stacking energy: -383.207 Base-Backbone interact. energy: -0.217 local terms energy: -377.999010 where: bonds (distance) C4'-P energy: -90.791 bonds (distance) P-C4' energy: -82.434 flat angles C4'-P-C4' energy: -76.378 flat angles P-C4'-P energy: -48.293 tors. eta vs tors. theta energy: -80.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1900.348251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.348251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.348251 (E_RNA) where: Base-Base interactions energy: -1351.893 where: short stacking energy: -628.858 Base-Backbone interact. energy: -2.128 local terms energy: -546.327026 where: bonds (distance) C4'-P energy: -89.603 bonds (distance) P-C4' energy: -100.473 flat angles C4'-P-C4' energy: -113.982 flat angles P-C4'-P energy: -78.639 tors. eta vs tors. theta energy: -163.631 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: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1810.183542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.183542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.183542 (E_RNA) where: Base-Base interactions energy: -1287.466 where: short stacking energy: -585.031 Base-Backbone interact. energy: -3.605 local terms energy: -519.113084 where: bonds (distance) C4'-P energy: -92.353 bonds (distance) P-C4' energy: -93.654 flat angles C4'-P-C4' energy: -107.765 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: -149.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1722.815093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.815093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.815093 (E_RNA) where: Base-Base interactions energy: -1232.583 where: short stacking energy: -525.887 Base-Backbone interact. energy: -3.235 local terms energy: -486.996729 where: bonds (distance) C4'-P energy: -91.965 bonds (distance) P-C4' energy: -81.584 flat angles C4'-P-C4' energy: -97.800 flat angles P-C4'-P energy: -66.934 tors. eta vs tors. theta energy: -148.714 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: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1771.817628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.817628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.817628 (E_RNA) where: Base-Base interactions energy: -1285.845 where: short stacking energy: -557.913 Base-Backbone interact. energy: -4.461 local terms energy: -481.512340 where: bonds (distance) C4'-P energy: -78.797 bonds (distance) P-C4' energy: -87.378 flat angles C4'-P-C4' energy: -99.561 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -145.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1729.638728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.638728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.638728 (E_RNA) where: Base-Base interactions energy: -1237.435 where: short stacking energy: -579.402 Base-Backbone interact. energy: 2.766 local terms energy: -494.969606 where: bonds (distance) C4'-P energy: -89.463 bonds (distance) P-C4' energy: -84.613 flat angles C4'-P-C4' energy: -104.376 flat angles P-C4'-P energy: -62.255 tors. eta vs tors. theta energy: -154.262 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: 97 Temperature: 1.150000 Total energy: -1624.765737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.765737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.765737 (E_RNA) where: Base-Base interactions energy: -1201.783 where: short stacking energy: -528.013 Base-Backbone interact. energy: -0.723 local terms energy: -422.259940 where: bonds (distance) C4'-P energy: -63.098 bonds (distance) P-C4' energy: -75.939 flat angles C4'-P-C4' energy: -101.625 flat angles P-C4'-P energy: -45.602 tors. eta vs tors. theta energy: -135.995 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: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1538.995324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.995324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.995324 (E_RNA) where: Base-Base interactions energy: -1135.368 where: short stacking energy: -499.141 Base-Backbone interact. energy: 0.321 local terms energy: -403.948173 where: bonds (distance) C4'-P energy: -74.488 bonds (distance) P-C4' energy: -85.698 flat angles C4'-P-C4' energy: -87.064 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: -115.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1488.824258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.824258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.824258 (E_RNA) where: Base-Base interactions energy: -1057.308 where: short stacking energy: -475.252 Base-Backbone interact. energy: -0.363 local terms energy: -431.153530 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -84.462 flat angles C4'-P-C4' energy: -97.212 flat angles P-C4'-P energy: -47.824 tors. eta vs tors. theta energy: -123.813 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: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1359.693784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.693784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.693784 (E_RNA) where: Base-Base interactions energy: -957.329 where: short stacking energy: -403.328 Base-Backbone interact. energy: -2.363 local terms energy: -400.001145 where: bonds (distance) C4'-P energy: -81.364 bonds (distance) P-C4' energy: -80.799 flat angles C4'-P-C4' energy: -82.603 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: -103.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1200.382443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.382443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.382443 (E_RNA) where: Base-Base interactions energy: -828.964 where: short stacking energy: -384.093 Base-Backbone interact. energy: -1.259 local terms energy: -370.159325 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -75.493 flat angles C4'-P-C4' energy: -91.255 flat angles P-C4'-P energy: -50.576 tors. eta vs tors. theta energy: -89.122 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: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1929.508866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.508866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.508866 (E_RNA) where: Base-Base interactions energy: -1365.847 where: short stacking energy: -621.775 Base-Backbone interact. energy: -1.306 local terms energy: -562.356693 where: bonds (distance) C4'-P energy: -95.450 bonds (distance) P-C4' energy: -95.881 flat angles C4'-P-C4' energy: -119.858 flat angles P-C4'-P energy: -81.080 tors. eta vs tors. theta energy: -170.088 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: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1783.494866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.494866 (E_RNA) where: Base-Base interactions energy: -1260.410 where: short stacking energy: -579.186 Base-Backbone interact. energy: -3.374 local terms energy: -519.711106 where: bonds (distance) C4'-P energy: -88.216 bonds (distance) P-C4' energy: -98.659 flat angles C4'-P-C4' energy: -114.657 flat angles P-C4'-P energy: -71.917 tors. eta vs tors. theta energy: -146.261 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: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1761.462779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.462779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.462779 (E_RNA) where: Base-Base interactions energy: -1277.317 where: short stacking energy: -562.352 Base-Backbone interact. energy: -2.146 local terms energy: -481.999419 where: bonds (distance) C4'-P energy: -89.302 bonds (distance) P-C4' energy: -81.364 flat angles C4'-P-C4' energy: -101.787 flat angles P-C4'-P energy: -68.824 tors. eta vs tors. theta energy: -140.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1701.840276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.840276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.840276 (E_RNA) where: Base-Base interactions energy: -1241.837 where: short stacking energy: -530.128 Base-Backbone interact. energy: -2.502 local terms energy: -457.501190 where: bonds (distance) C4'-P energy: -64.564 bonds (distance) P-C4' energy: -81.822 flat angles C4'-P-C4' energy: -98.791 flat angles P-C4'-P energy: -71.114 tors. eta vs tors. theta energy: -141.211 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: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1647.957694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.957694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.957694 (E_RNA) where: Base-Base interactions energy: -1190.876 where: short stacking energy: -530.693 Base-Backbone interact. energy: -0.560 local terms energy: -456.521777 where: bonds (distance) C4'-P energy: -75.839 bonds (distance) P-C4' energy: -86.516 flat angles C4'-P-C4' energy: -97.630 flat angles P-C4'-P energy: -64.357 tors. eta vs tors. theta energy: -132.180 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: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1656.653118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.653118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.653118 (E_RNA) where: Base-Base interactions energy: -1208.525 where: short stacking energy: -518.720 Base-Backbone interact. energy: -2.334 local terms energy: -445.793212 where: bonds (distance) C4'-P energy: -91.820 bonds (distance) P-C4' energy: -77.122 flat angles C4'-P-C4' energy: -89.868 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -131.617 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: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1572.097733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.097733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.097733 (E_RNA) where: Base-Base interactions energy: -1131.217 where: short stacking energy: -493.572 Base-Backbone interact. energy: -3.257 local terms energy: -437.624380 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -103.167 flat angles P-C4'-P energy: -45.468 tors. eta vs tors. theta energy: -130.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1546.944328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.944328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.944328 (E_RNA) where: Base-Base interactions energy: -1096.439 where: short stacking energy: -497.744 Base-Backbone interact. energy: -1.755 local terms energy: -448.749792 where: bonds (distance) C4'-P energy: -77.353 bonds (distance) P-C4' energy: -80.622 flat angles C4'-P-C4' energy: -96.998 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -134.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1352.747922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.747922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.747922 (E_RNA) where: Base-Base interactions energy: -954.814 where: short stacking energy: -412.089 Base-Backbone interact. energy: -1.666 local terms energy: -396.267775 where: bonds (distance) C4'-P energy: -65.696 bonds (distance) P-C4' energy: -77.371 flat angles C4'-P-C4' energy: -87.476 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -105.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1241.566746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.566746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.566746 (E_RNA) where: Base-Base interactions energy: -891.687 where: short stacking energy: -436.290 Base-Backbone interact. energy: -1.864 local terms energy: -348.016221 where: bonds (distance) C4'-P energy: -78.270 bonds (distance) P-C4' energy: -55.916 flat angles C4'-P-C4' energy: -76.206 flat angles P-C4'-P energy: -35.130 tors. eta vs tors. theta energy: -102.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1890.404774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.404774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.404774 (E_RNA) where: Base-Base interactions energy: -1351.455 where: short stacking energy: -614.122 Base-Backbone interact. energy: -1.456 local terms energy: -537.494068 where: bonds (distance) C4'-P energy: -93.447 bonds (distance) P-C4' energy: -100.821 flat angles C4'-P-C4' energy: -106.849 flat angles P-C4'-P energy: -75.737 tors. eta vs tors. theta energy: -160.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1808.019633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.019633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.019633 (E_RNA) where: Base-Base interactions energy: -1314.183 where: short stacking energy: -570.318 Base-Backbone interact. energy: 0.961 local terms energy: -494.797730 where: bonds (distance) C4'-P energy: -90.384 bonds (distance) P-C4' energy: -88.028 flat angles C4'-P-C4' energy: -107.668 flat angles P-C4'-P energy: -67.657 tors. eta vs tors. theta energy: -141.061 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: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1744.932710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.932710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.932710 (E_RNA) where: Base-Base interactions energy: -1238.233 where: short stacking energy: -573.739 Base-Backbone interact. energy: 3.604 local terms energy: -510.304317 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -85.879 flat angles C4'-P-C4' energy: -118.936 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -152.734 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: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1692.103890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.103890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.103890 (E_RNA) where: Base-Base interactions energy: -1231.123 where: short stacking energy: -541.989 Base-Backbone interact. energy: 6.536 local terms energy: -467.517668 where: bonds (distance) C4'-P energy: -87.923 bonds (distance) P-C4' energy: -78.341 flat angles C4'-P-C4' energy: -98.689 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: -132.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1678.012527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.012527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.012527 (E_RNA) where: Base-Base interactions energy: -1200.885 where: short stacking energy: -532.514 Base-Backbone interact. energy: 4.305 local terms energy: -481.432016 where: bonds (distance) C4'-P energy: -91.863 bonds (distance) P-C4' energy: -72.694 flat angles C4'-P-C4' energy: -104.624 flat angles P-C4'-P energy: -78.076 tors. eta vs tors. theta energy: -134.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1689.672435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.672435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.672435 (E_RNA) where: Base-Base interactions energy: -1217.894 where: short stacking energy: -534.010 Base-Backbone interact. energy: 4.830 local terms energy: -476.608268 where: bonds (distance) C4'-P energy: -82.897 bonds (distance) P-C4' energy: -79.686 flat angles C4'-P-C4' energy: -101.041 flat angles P-C4'-P energy: -76.769 tors. eta vs tors. theta energy: -136.215 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: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1569.270996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.270996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.270996 (E_RNA) where: Base-Base interactions energy: -1132.490 where: short stacking energy: -486.457 Base-Backbone interact. energy: -3.541 local terms energy: -433.240264 where: bonds (distance) C4'-P energy: -86.350 bonds (distance) P-C4' energy: -73.026 flat angles C4'-P-C4' energy: -84.976 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -129.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1579.256373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.256373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.256373 (E_RNA) where: Base-Base interactions energy: -1122.352 where: short stacking energy: -519.849 Base-Backbone interact. energy: -3.226 local terms energy: -453.678451 where: bonds (distance) C4'-P energy: -77.605 bonds (distance) P-C4' energy: -77.832 flat angles C4'-P-C4' energy: -91.163 flat angles P-C4'-P energy: -63.825 tors. eta vs tors. theta energy: -143.253 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: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1383.852890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.852890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.852890 (E_RNA) where: Base-Base interactions energy: -972.072 where: short stacking energy: -446.028 Base-Backbone interact. energy: -1.195 local terms energy: -410.585699 where: bonds (distance) C4'-P energy: -68.864 bonds (distance) P-C4' energy: -77.769 flat angles C4'-P-C4' energy: -96.742 flat angles P-C4'-P energy: -58.919 tors. eta vs tors. theta energy: -108.291 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: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1259.136690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.136690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.136690 (E_RNA) where: Base-Base interactions energy: -872.795 where: short stacking energy: -418.176 Base-Backbone interact. energy: -1.641 local terms energy: -384.700874 where: bonds (distance) C4'-P energy: -69.037 bonds (distance) P-C4' energy: -68.755 flat angles C4'-P-C4' energy: -90.039 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -107.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1890.380668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.380668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.380668 (E_RNA) where: Base-Base interactions energy: -1344.546 where: short stacking energy: -612.584 Base-Backbone interact. energy: 0.650 local terms energy: -546.484476 where: bonds (distance) C4'-P energy: -96.818 bonds (distance) P-C4' energy: -96.138 flat angles C4'-P-C4' energy: -116.050 flat angles P-C4'-P energy: -75.112 tors. eta vs tors. theta energy: -162.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1813.454341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.454341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.454341 (E_RNA) where: Base-Base interactions energy: -1317.833 where: short stacking energy: -581.947 Base-Backbone interact. energy: -1.719 local terms energy: -493.902940 where: bonds (distance) C4'-P energy: -90.311 bonds (distance) P-C4' energy: -93.708 flat angles C4'-P-C4' energy: -107.470 flat angles P-C4'-P energy: -54.922 tors. eta vs tors. theta energy: -147.492 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: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1741.875287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.875287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.875287 (E_RNA) where: Base-Base interactions energy: -1231.577 where: short stacking energy: -586.599 Base-Backbone interact. energy: -2.803 local terms energy: -507.495642 where: bonds (distance) C4'-P energy: -88.434 bonds (distance) P-C4' energy: -86.893 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -72.677 tors. eta vs tors. theta energy: -148.338 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: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1695.947401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.947401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.947401 (E_RNA) where: Base-Base interactions energy: -1205.449 where: short stacking energy: -555.763 Base-Backbone interact. energy: -1.992 local terms energy: -488.506758 where: bonds (distance) C4'-P energy: -76.509 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -105.185 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -133.603 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1705.904689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.904689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.904689 (E_RNA) where: Base-Base interactions energy: -1240.210 where: short stacking energy: -541.716 Base-Backbone interact. energy: 0.355 local terms energy: -466.049616 where: bonds (distance) C4'-P energy: -80.568 bonds (distance) P-C4' energy: -70.159 flat angles C4'-P-C4' energy: -112.384 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -137.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1651.956442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.956442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.956442 (E_RNA) where: Base-Base interactions energy: -1161.287 where: short stacking energy: -508.305 Base-Backbone interact. energy: -4.716 local terms energy: -485.952995 where: bonds (distance) C4'-P energy: -85.071 bonds (distance) P-C4' energy: -98.098 flat angles C4'-P-C4' energy: -107.715 flat angles P-C4'-P energy: -57.054 tors. eta vs tors. theta energy: -138.015 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: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1564.655229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.655229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.655229 (E_RNA) where: Base-Base interactions energy: -1140.252 where: short stacking energy: -487.714 Base-Backbone interact. energy: 2.137 local terms energy: -426.540706 where: bonds (distance) C4'-P energy: -85.554 bonds (distance) P-C4' energy: -72.768 flat angles C4'-P-C4' energy: -91.664 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -122.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1564.693428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.693428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.693428 (E_RNA) where: Base-Base interactions energy: -1139.865 where: short stacking energy: -530.899 Base-Backbone interact. energy: -1.241 local terms energy: -423.587287 where: bonds (distance) C4'-P energy: -64.238 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -90.258 flat angles P-C4'-P energy: -50.412 tors. eta vs tors. theta energy: -134.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1392.477158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.477158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.477158 (E_RNA) where: Base-Base interactions energy: -978.896 where: short stacking energy: -450.306 Base-Backbone interact. energy: 0.012 local terms energy: -413.593073 where: bonds (distance) C4'-P energy: -76.323 bonds (distance) P-C4' energy: -77.787 flat angles C4'-P-C4' energy: -86.289 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -104.990 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: 6 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1278.587487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.587487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.587487 (E_RNA) where: Base-Base interactions energy: -912.612 where: short stacking energy: -407.261 Base-Backbone interact. energy: 2.993 local terms energy: -368.968558 where: bonds (distance) C4'-P energy: -54.624 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -95.813 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: -99.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1899.337378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.337378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.337378 (E_RNA) where: Base-Base interactions energy: -1345.259 where: short stacking energy: -625.951 Base-Backbone interact. energy: -0.522 local terms energy: -553.556070 where: bonds (distance) C4'-P energy: -91.888 bonds (distance) P-C4' energy: -98.647 flat angles C4'-P-C4' energy: -109.545 flat angles P-C4'-P energy: -89.274 tors. eta vs tors. theta energy: -164.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1781.290179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.290179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.290179 (E_RNA) where: Base-Base interactions energy: -1246.638 where: short stacking energy: -597.803 Base-Backbone interact. energy: 3.159 local terms energy: -537.810909 where: bonds (distance) C4'-P energy: -98.486 bonds (distance) P-C4' energy: -101.095 flat angles C4'-P-C4' energy: -105.156 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: -154.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1773.234173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.234173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.234173 (E_RNA) where: Base-Base interactions energy: -1273.409 where: short stacking energy: -565.346 Base-Backbone interact. energy: -0.430 local terms energy: -499.395250 where: bonds (distance) C4'-P energy: -96.231 bonds (distance) P-C4' energy: -93.506 flat angles C4'-P-C4' energy: -103.405 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -142.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1704.721472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.721472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.721472 (E_RNA) where: Base-Base interactions energy: -1234.615 where: short stacking energy: -561.377 Base-Backbone interact. energy: 2.321 local terms energy: -472.427035 where: bonds (distance) C4'-P energy: -94.931 bonds (distance) P-C4' energy: -87.293 flat angles C4'-P-C4' energy: -96.129 flat angles P-C4'-P energy: -55.439 tors. eta vs tors. theta energy: -138.635 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: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1693.234044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.234044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.234044 (E_RNA) where: Base-Base interactions energy: -1217.005 where: short stacking energy: -521.515 Base-Backbone interact. energy: -0.863 local terms energy: -475.366821 where: bonds (distance) C4'-P energy: -83.196 bonds (distance) P-C4' energy: -83.400 flat angles C4'-P-C4' energy: -101.267 flat angles P-C4'-P energy: -68.728 tors. eta vs tors. theta energy: -138.777 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: 101 Temperature: 1.150000 Total energy: -1623.237541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.237541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.237541 (E_RNA) where: Base-Base interactions energy: -1135.131 where: short stacking energy: -511.784 Base-Backbone interact. energy: 1.622 local terms energy: -489.728893 where: bonds (distance) C4'-P energy: -82.023 bonds (distance) P-C4' energy: -89.040 flat angles C4'-P-C4' energy: -108.149 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -136.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1527.910335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.910335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.910335 (E_RNA) where: Base-Base interactions energy: -1093.012 where: short stacking energy: -488.286 Base-Backbone interact. energy: -1.434 local terms energy: -433.464370 where: bonds (distance) C4'-P energy: -72.405 bonds (distance) P-C4' energy: -92.647 flat angles C4'-P-C4' energy: -90.808 flat angles P-C4'-P energy: -52.621 tors. eta vs tors. theta energy: -124.985 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: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1574.192563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.192563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.192563 (E_RNA) where: Base-Base interactions energy: -1145.278 where: short stacking energy: -522.039 Base-Backbone interact. energy: 0.553 local terms energy: -429.467146 where: bonds (distance) C4'-P energy: -73.010 bonds (distance) P-C4' energy: -66.924 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -139.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1382.092448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.092448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.092448 (E_RNA) where: Base-Base interactions energy: -963.388 where: short stacking energy: -433.111 Base-Backbone interact. energy: 0.154 local terms energy: -418.857663 where: bonds (distance) C4'-P energy: -72.516 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -97.613 flat angles P-C4'-P energy: -55.343 tors. eta vs tors. theta energy: -105.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1286.059817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.059817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.059817 (E_RNA) where: Base-Base interactions energy: -896.505 where: short stacking energy: -410.857 Base-Backbone interact. energy: -1.596 local terms energy: -387.958904 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -78.850 flat angles C4'-P-C4' energy: -85.841 flat angles P-C4'-P energy: -42.637 tors. eta vs tors. theta energy: -102.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1894.441443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.441443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.441443 (E_RNA) where: Base-Base interactions energy: -1348.540 where: short stacking energy: -612.699 Base-Backbone interact. energy: -2.661 local terms energy: -543.240887 where: bonds (distance) C4'-P energy: -98.965 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -114.089 flat angles P-C4'-P energy: -79.828 tors. eta vs tors. theta energy: -159.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1780.876768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.876768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.876768 (E_RNA) where: Base-Base interactions energy: -1252.548 where: short stacking energy: -611.780 Base-Backbone interact. energy: -0.925 local terms energy: -527.404090 where: bonds (distance) C4'-P energy: -90.866 bonds (distance) P-C4' energy: -97.406 flat angles C4'-P-C4' energy: -114.294 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -153.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1749.181990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.181990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.181990 (E_RNA) where: Base-Base interactions energy: -1246.425 where: short stacking energy: -557.756 Base-Backbone interact. energy: -2.854 local terms energy: -499.902583 where: bonds (distance) C4'-P energy: -82.894 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -112.824 flat angles P-C4'-P energy: -70.724 tors. eta vs tors. theta energy: -138.261 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: 102 Temperature: 1.050000 Total energy: -1771.165964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.165964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.165964 (E_RNA) where: Base-Base interactions energy: -1276.273 where: short stacking energy: -566.493 Base-Backbone interact. energy: -2.501 local terms energy: -492.391552 where: bonds (distance) C4'-P energy: -101.652 bonds (distance) P-C4' energy: -78.571 flat angles C4'-P-C4' energy: -104.553 flat angles P-C4'-P energy: -60.962 tors. eta vs tors. theta energy: -146.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1706.451450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.451450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.451450 (E_RNA) where: Base-Base interactions energy: -1241.961 where: short stacking energy: -548.061 Base-Backbone interact. energy: -2.472 local terms energy: -462.018672 where: bonds (distance) C4'-P energy: -79.387 bonds (distance) P-C4' energy: -82.716 flat angles C4'-P-C4' energy: -91.206 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: -143.386 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: 9 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1596.177375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.177375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.177375 (E_RNA) where: Base-Base interactions energy: -1106.997 where: short stacking energy: -509.805 Base-Backbone interact. energy: -1.064 local terms energy: -488.116612 where: bonds (distance) C4'-P energy: -88.609 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -101.707 flat angles P-C4'-P energy: -70.963 tors. eta vs tors. theta energy: -138.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1644.024793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.024793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.024793 (E_RNA) where: Base-Base interactions energy: -1191.270 where: short stacking energy: -543.850 Base-Backbone interact. energy: -1.686 local terms energy: -451.068846 where: bonds (distance) C4'-P energy: -72.379 bonds (distance) P-C4' energy: -77.913 flat angles C4'-P-C4' energy: -106.226 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -149.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1510.272677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.272677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.272677 (E_RNA) where: Base-Base interactions energy: -1078.542 where: short stacking energy: -442.965 Base-Backbone interact. energy: -1.866 local terms energy: -429.864830 where: bonds (distance) C4'-P energy: -69.031 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -92.964 flat angles P-C4'-P energy: -63.449 tors. eta vs tors. theta energy: -112.173 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: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1328.911200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.911200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.911200 (E_RNA) where: Base-Base interactions energy: -921.907 where: short stacking energy: -404.926 Base-Backbone interact. energy: -0.398 local terms energy: -406.605906 where: bonds (distance) C4'-P energy: -79.084 bonds (distance) P-C4' energy: -87.345 flat angles C4'-P-C4' energy: -90.775 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -103.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1227.434039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.434039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.434039 (E_RNA) where: Base-Base interactions energy: -863.112 where: short stacking energy: -375.761 Base-Backbone interact. energy: -1.419 local terms energy: -362.903072 where: bonds (distance) C4'-P energy: -73.569 bonds (distance) P-C4' energy: -66.629 flat angles C4'-P-C4' energy: -87.253 flat angles P-C4'-P energy: -43.437 tors. eta vs tors. theta energy: -92.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1903.140756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.140756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.140756 (E_RNA) where: Base-Base interactions energy: -1354.069 where: short stacking energy: -623.813 Base-Backbone interact. energy: -0.626 local terms energy: -548.446527 where: bonds (distance) C4'-P energy: -89.228 bonds (distance) P-C4' energy: -98.114 flat angles C4'-P-C4' energy: -118.755 flat angles P-C4'-P energy: -77.527 tors. eta vs tors. theta energy: -164.822 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: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1788.363488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.363488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.363488 (E_RNA) where: Base-Base interactions energy: -1259.684 where: short stacking energy: -600.280 Base-Backbone interact. energy: -0.176 local terms energy: -528.503885 where: bonds (distance) C4'-P energy: -85.823 bonds (distance) P-C4' energy: -93.590 flat angles C4'-P-C4' energy: -110.138 flat angles P-C4'-P energy: -86.150 tors. eta vs tors. theta energy: -152.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1776.090486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.090486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.090486 (E_RNA) where: Base-Base interactions energy: -1274.931 where: short stacking energy: -575.487 Base-Backbone interact. energy: -2.336 local terms energy: -498.823494 where: bonds (distance) C4'-P energy: -83.569 bonds (distance) P-C4' energy: -98.244 flat angles C4'-P-C4' energy: -100.871 flat angles P-C4'-P energy: -74.582 tors. eta vs tors. theta energy: -141.559 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: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1726.498955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.498955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.498955 (E_RNA) where: Base-Base interactions energy: -1231.500 where: short stacking energy: -558.436 Base-Backbone interact. energy: -1.475 local terms energy: -493.523150 where: bonds (distance) C4'-P energy: -90.851 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -103.465 flat angles P-C4'-P energy: -68.473 tors. eta vs tors. theta energy: -138.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1700.105282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.105282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.105282 (E_RNA) where: Base-Base interactions energy: -1233.339 where: short stacking energy: -555.875 Base-Backbone interact. energy: -1.218 local terms energy: -465.547853 where: bonds (distance) C4'-P energy: -89.265 bonds (distance) P-C4' energy: -81.192 flat angles C4'-P-C4' energy: -91.369 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: -139.291 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: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1708.059396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.059396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.059396 (E_RNA) where: Base-Base interactions energy: -1245.420 where: short stacking energy: -559.983 Base-Backbone interact. energy: -1.300 local terms energy: -461.339497 where: bonds (distance) C4'-P energy: -70.875 bonds (distance) P-C4' energy: -77.090 flat angles C4'-P-C4' energy: -96.901 flat angles P-C4'-P energy: -59.894 tors. eta vs tors. theta energy: -156.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1578.339420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.339420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.339420 (E_RNA) where: Base-Base interactions energy: -1112.804 where: short stacking energy: -497.220 Base-Backbone interact. energy: -0.888 local terms energy: -464.647799 where: bonds (distance) C4'-P energy: -75.247 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -99.921 flat angles P-C4'-P energy: -64.894 tors. eta vs tors. theta energy: -135.196 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: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1498.137839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.137839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.137839 (E_RNA) where: Base-Base interactions energy: -1077.975 where: short stacking energy: -451.149 Base-Backbone interact. energy: -1.664 local terms energy: -418.498496 where: bonds (distance) C4'-P energy: -78.834 bonds (distance) P-C4' energy: -69.584 flat angles C4'-P-C4' energy: -92.402 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: -125.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1384.951147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.951147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.951147 (E_RNA) where: Base-Base interactions energy: -984.020 where: short stacking energy: -451.762 Base-Backbone interact. energy: -2.412 local terms energy: -398.519070 where: bonds (distance) C4'-P energy: -72.750 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -87.784 flat angles P-C4'-P energy: -58.956 tors. eta vs tors. theta energy: -111.077 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: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1157.998275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.998275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.998275 (E_RNA) where: Base-Base interactions energy: -795.302 where: short stacking energy: -385.797 Base-Backbone interact. energy: 0.078 local terms energy: -362.774516 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -70.260 flat angles C4'-P-C4' energy: -84.981 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: -93.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1903.007443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.007443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.007443 (E_RNA) where: Base-Base interactions energy: -1361.324 where: short stacking energy: -630.639 Base-Backbone interact. energy: -0.808 local terms energy: -540.875386 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -100.335 flat angles C4'-P-C4' energy: -111.743 flat angles P-C4'-P energy: -73.525 tors. eta vs tors. theta energy: -168.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1793.790700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.790700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.790700 (E_RNA) where: Base-Base interactions energy: -1269.727 where: short stacking energy: -592.206 Base-Backbone interact. energy: -2.307 local terms energy: -521.756243 where: bonds (distance) C4'-P energy: -100.982 bonds (distance) P-C4' energy: -88.947 flat angles C4'-P-C4' energy: -109.477 flat angles P-C4'-P energy: -68.194 tors. eta vs tors. theta energy: -154.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1744.212417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.212417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.212417 (E_RNA) where: Base-Base interactions energy: -1259.440 where: short stacking energy: -571.282 Base-Backbone interact. energy: -3.811 local terms energy: -480.961255 where: bonds (distance) C4'-P energy: -95.879 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -97.800 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: -142.818 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1726.048453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.048453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.048453 (E_RNA) where: Base-Base interactions energy: -1241.787 where: short stacking energy: -545.337 Base-Backbone interact. energy: 1.620 local terms energy: -485.880943 where: bonds (distance) C4'-P energy: -90.838 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -98.843 flat angles P-C4'-P energy: -63.063 tors. eta vs tors. theta energy: -143.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1711.282324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.282324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.282324 (E_RNA) where: Base-Base interactions energy: -1220.005 where: short stacking energy: -557.481 Base-Backbone interact. energy: -3.294 local terms energy: -487.983467 where: bonds (distance) C4'-P energy: -79.727 bonds (distance) P-C4' energy: -88.382 flat angles C4'-P-C4' energy: -109.618 flat angles P-C4'-P energy: -63.228 tors. eta vs tors. theta energy: -147.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1610.399673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.399673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.399673 (E_RNA) where: Base-Base interactions energy: -1135.260 where: short stacking energy: -528.606 Base-Backbone interact. energy: -2.157 local terms energy: -472.982292 where: bonds (distance) C4'-P energy: -83.683 bonds (distance) P-C4' energy: -88.443 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -59.512 tors. eta vs tors. theta energy: -136.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1538.058726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.058726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.058726 (E_RNA) where: Base-Base interactions energy: -1106.225 where: short stacking energy: -487.588 Base-Backbone interact. energy: -2.941 local terms energy: -428.893208 where: bonds (distance) C4'-P energy: -74.642 bonds (distance) P-C4' energy: -70.873 flat angles C4'-P-C4' energy: -98.492 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -128.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1515.704568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.704568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.704568 (E_RNA) where: Base-Base interactions energy: -1077.820 where: short stacking energy: -491.924 Base-Backbone interact. energy: -2.792 local terms energy: -435.092861 where: bonds (distance) C4'-P energy: -81.868 bonds (distance) P-C4' energy: -76.024 flat angles C4'-P-C4' energy: -100.170 flat angles P-C4'-P energy: -46.813 tors. eta vs tors. theta energy: -130.218 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: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1466.829823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.829823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.829823 (E_RNA) where: Base-Base interactions energy: -1041.980 where: short stacking energy: -488.011 Base-Backbone interact. energy: 0.132 local terms energy: -424.981131 where: bonds (distance) C4'-P energy: -81.622 bonds (distance) P-C4' energy: -69.767 flat angles C4'-P-C4' energy: -95.185 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: -122.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1144.194050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.194050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.194050 (E_RNA) where: Base-Base interactions energy: -794.425 where: short stacking energy: -374.325 Base-Backbone interact. energy: -1.460 local terms energy: -348.309445 where: bonds (distance) C4'-P energy: -77.255 bonds (distance) P-C4' energy: -63.080 flat angles C4'-P-C4' energy: -80.703 flat angles P-C4'-P energy: -49.371 tors. eta vs tors. theta energy: -77.900 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: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1917.553713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.553713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.553713 (E_RNA) where: Base-Base interactions energy: -1382.132 where: short stacking energy: -632.221 Base-Backbone interact. energy: -2.023 local terms energy: -533.399324 where: bonds (distance) C4'-P energy: -86.109 bonds (distance) P-C4' energy: -88.449 flat angles C4'-P-C4' energy: -115.563 flat angles P-C4'-P energy: -78.562 tors. eta vs tors. theta energy: -164.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1810.141601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.141601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.141601 (E_RNA) where: Base-Base interactions energy: -1284.038 where: short stacking energy: -603.506 Base-Backbone interact. energy: -3.923 local terms energy: -522.180874 where: bonds (distance) C4'-P energy: -85.937 bonds (distance) P-C4' energy: -88.985 flat angles C4'-P-C4' energy: -111.885 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -156.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1761.559624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.559624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.559624 (E_RNA) where: Base-Base interactions energy: -1267.312 where: short stacking energy: -556.228 Base-Backbone interact. energy: -0.834 local terms energy: -493.414148 where: bonds (distance) C4'-P energy: -85.568 bonds (distance) P-C4' energy: -88.401 flat angles C4'-P-C4' energy: -106.182 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -141.936 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: 105 Temperature: 1.050000 Total energy: -1773.076472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.076472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.076472 (E_RNA) where: Base-Base interactions energy: -1276.949 where: short stacking energy: -596.901 Base-Backbone interact. energy: 0.168 local terms energy: -496.294906 where: bonds (distance) C4'-P energy: -84.738 bonds (distance) P-C4' energy: -95.447 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -63.146 tors. eta vs tors. theta energy: -151.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1709.700453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.700453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.700453 (E_RNA) where: Base-Base interactions energy: -1236.331 where: short stacking energy: -541.994 Base-Backbone interact. energy: -0.358 local terms energy: -473.011127 where: bonds (distance) C4'-P energy: -93.866 bonds (distance) P-C4' energy: -70.874 flat angles C4'-P-C4' energy: -97.751 flat angles P-C4'-P energy: -72.772 tors. eta vs tors. theta energy: -137.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1605.737981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.737981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.737981 (E_RNA) where: Base-Base interactions energy: -1155.086 where: short stacking energy: -509.540 Base-Backbone interact. energy: -3.015 local terms energy: -447.636130 where: bonds (distance) C4'-P energy: -69.122 bonds (distance) P-C4' energy: -85.603 flat angles C4'-P-C4' energy: -101.121 flat angles P-C4'-P energy: -61.597 tors. eta vs tors. theta energy: -130.194 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: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1555.752321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.752321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.752321 (E_RNA) where: Base-Base interactions energy: -1143.763 where: short stacking energy: -509.898 Base-Backbone interact. energy: -1.342 local terms energy: -410.646965 where: bonds (distance) C4'-P energy: -72.662 bonds (distance) P-C4' energy: -70.279 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: -131.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1533.169731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.169731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.169731 (E_RNA) where: Base-Base interactions energy: -1092.035 where: short stacking energy: -475.146 Base-Backbone interact. energy: 0.883 local terms energy: -442.017364 where: bonds (distance) C4'-P energy: -72.911 bonds (distance) P-C4' energy: -83.288 flat angles C4'-P-C4' energy: -101.730 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -120.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1437.535954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.535954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.535954 (E_RNA) where: Base-Base interactions energy: -1022.351 where: short stacking energy: -483.402 Base-Backbone interact. energy: -0.620 local terms energy: -414.564261 where: bonds (distance) C4'-P energy: -67.891 bonds (distance) P-C4' energy: -79.854 flat angles C4'-P-C4' energy: -90.506 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -117.391 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: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1119.412564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.412564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.412564 (E_RNA) where: Base-Base interactions energy: -790.870 where: short stacking energy: -333.773 Base-Backbone interact. energy: -1.860 local terms energy: -326.682668 where: bonds (distance) C4'-P energy: -67.539 bonds (distance) P-C4' energy: -57.606 flat angles C4'-P-C4' energy: -81.592 flat angles P-C4'-P energy: -37.376 tors. eta vs tors. theta energy: -82.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1912.136783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.136783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.136783 (E_RNA) where: Base-Base interactions energy: -1367.568 where: short stacking energy: -620.489 Base-Backbone interact. energy: -2.137 local terms energy: -542.432019 where: bonds (distance) C4'-P energy: -104.885 bonds (distance) P-C4' energy: -89.790 flat angles C4'-P-C4' energy: -111.225 flat angles P-C4'-P energy: -72.685 tors. eta vs tors. theta energy: -163.847 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: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1808.283319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.283319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.283319 (E_RNA) where: Base-Base interactions energy: -1302.390 where: short stacking energy: -608.093 Base-Backbone interact. energy: -2.654 local terms energy: -503.238968 where: bonds (distance) C4'-P energy: -93.191 bonds (distance) P-C4' energy: -78.600 flat angles C4'-P-C4' energy: -111.584 flat angles P-C4'-P energy: -69.550 tors. eta vs tors. theta energy: -150.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1839.754966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.754966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.754966 (E_RNA) where: Base-Base interactions energy: -1314.150 where: short stacking energy: -602.696 Base-Backbone interact. energy: -1.466 local terms energy: -524.139378 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -87.335 flat angles C4'-P-C4' energy: -108.353 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -166.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1735.414351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.414351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.414351 (E_RNA) where: Base-Base interactions energy: -1243.771 where: short stacking energy: -553.535 Base-Backbone interact. energy: -1.192 local terms energy: -490.451473 where: bonds (distance) C4'-P energy: -75.963 bonds (distance) P-C4' energy: -91.862 flat angles C4'-P-C4' energy: -108.860 flat angles P-C4'-P energy: -75.289 tors. eta vs tors. theta energy: -138.478 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: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1718.318767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.318767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.318767 (E_RNA) where: Base-Base interactions energy: -1237.425 where: short stacking energy: -562.270 Base-Backbone interact. energy: -3.536 local terms energy: -477.357376 where: bonds (distance) C4'-P energy: -84.577 bonds (distance) P-C4' energy: -93.741 flat angles C4'-P-C4' energy: -90.473 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -149.292 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: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1635.235174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.235174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.235174 (E_RNA) where: Base-Base interactions energy: -1179.826 where: short stacking energy: -501.036 Base-Backbone interact. energy: -2.278 local terms energy: -453.131534 where: bonds (distance) C4'-P energy: -88.924 bonds (distance) P-C4' energy: -83.608 flat angles C4'-P-C4' energy: -95.578 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -134.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1524.361425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.361425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.361425 (E_RNA) where: Base-Base interactions energy: -1100.754 where: short stacking energy: -482.620 Base-Backbone interact. energy: -3.566 local terms energy: -420.041870 where: bonds (distance) C4'-P energy: -71.302 bonds (distance) P-C4' energy: -73.892 flat angles C4'-P-C4' energy: -93.095 flat angles P-C4'-P energy: -69.186 tors. eta vs tors. theta energy: -112.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1500.978729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.978729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.978729 (E_RNA) where: Base-Base interactions energy: -1075.291 where: short stacking energy: -471.121 Base-Backbone interact. energy: 0.005 local terms energy: -425.692554 where: bonds (distance) C4'-P energy: -78.214 bonds (distance) P-C4' energy: -75.619 flat angles C4'-P-C4' energy: -92.542 flat angles P-C4'-P energy: -57.774 tors. eta vs tors. theta energy: -121.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1466.553404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.553404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.553404 (E_RNA) where: Base-Base interactions energy: -1079.588 where: short stacking energy: -503.890 Base-Backbone interact. energy: -0.021 local terms energy: -386.944077 where: bonds (distance) C4'-P energy: -71.802 bonds (distance) P-C4' energy: -41.237 flat angles C4'-P-C4' energy: -86.439 flat angles P-C4'-P energy: -55.877 tors. eta vs tors. theta energy: -131.590 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: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1092.019568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.019568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.019568 (E_RNA) where: Base-Base interactions energy: -737.748 where: short stacking energy: -356.352 Base-Backbone interact. energy: -3.326 local terms energy: -350.945876 where: bonds (distance) C4'-P energy: -61.055 bonds (distance) P-C4' energy: -64.001 flat angles C4'-P-C4' energy: -87.248 flat angles P-C4'-P energy: -53.552 tors. eta vs tors. theta energy: -85.090 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: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1905.830211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.830211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.830211 (E_RNA) where: Base-Base interactions energy: -1358.123 where: short stacking energy: -628.780 Base-Backbone interact. energy: -2.836 local terms energy: -544.871650 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -97.636 flat angles C4'-P-C4' energy: -112.344 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -164.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1833.034882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.034882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.034882 (E_RNA) where: Base-Base interactions energy: -1311.598 where: short stacking energy: -600.517 Base-Backbone interact. energy: -0.617 local terms energy: -520.820178 where: bonds (distance) C4'-P energy: -101.667 bonds (distance) P-C4' energy: -84.089 flat angles C4'-P-C4' energy: -106.845 flat angles P-C4'-P energy: -77.972 tors. eta vs tors. theta energy: -150.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1867.179258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.179258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.179258 (E_RNA) where: Base-Base interactions energy: -1341.040 where: short stacking energy: -622.408 Base-Backbone interact. energy: -1.235 local terms energy: -524.904191 where: bonds (distance) C4'-P energy: -87.169 bonds (distance) P-C4' energy: -92.751 flat angles C4'-P-C4' energy: -113.496 flat angles P-C4'-P energy: -70.510 tors. eta vs tors. theta energy: -160.979 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: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1754.963349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.963349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.963349 (E_RNA) where: Base-Base interactions energy: -1270.107 where: short stacking energy: -558.530 Base-Backbone interact. energy: -1.025 local terms energy: -483.832032 where: bonds (distance) C4'-P energy: -72.863 bonds (distance) P-C4' energy: -75.774 flat angles C4'-P-C4' energy: -112.231 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: -150.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1697.928350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.928350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.928350 (E_RNA) where: Base-Base interactions energy: -1202.379 where: short stacking energy: -536.580 Base-Backbone interact. energy: -1.859 local terms energy: -493.690128 where: bonds (distance) C4'-P energy: -94.864 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -95.679 flat angles P-C4'-P energy: -69.931 tors. eta vs tors. theta energy: -150.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1630.561443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.561443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.561443 (E_RNA) where: Base-Base interactions energy: -1184.855 where: short stacking energy: -526.237 Base-Backbone interact. energy: 2.756 local terms energy: -448.462478 where: bonds (distance) C4'-P energy: -74.898 bonds (distance) P-C4' energy: -82.176 flat angles C4'-P-C4' energy: -93.547 flat angles P-C4'-P energy: -61.652 tors. eta vs tors. theta energy: -136.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1560.504052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.504052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.504052 (E_RNA) where: Base-Base interactions energy: -1107.094 where: short stacking energy: -499.468 Base-Backbone interact. energy: 0.724 local terms energy: -454.133822 where: bonds (distance) C4'-P energy: -81.075 bonds (distance) P-C4' energy: -83.495 flat angles C4'-P-C4' energy: -95.407 flat angles P-C4'-P energy: -64.689 tors. eta vs tors. theta energy: -129.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1513.872134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.872134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.872134 (E_RNA) where: Base-Base interactions energy: -1085.179 where: short stacking energy: -516.506 Base-Backbone interact. energy: 1.256 local terms energy: -429.948886 where: bonds (distance) C4'-P energy: -71.775 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -92.850 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -130.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1432.402740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.402740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.402740 (E_RNA) where: Base-Base interactions energy: -1035.922 where: short stacking energy: -433.886 Base-Backbone interact. energy: -3.065 local terms energy: -393.416572 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -77.049 flat angles C4'-P-C4' energy: -85.748 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -121.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1014.302321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.302321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.302321 (E_RNA) where: Base-Base interactions energy: -693.527 where: short stacking energy: -336.472 Base-Backbone interact. energy: 0.115 local terms energy: -320.890362 where: bonds (distance) C4'-P energy: -70.608 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -74.806 flat angles P-C4'-P energy: -40.695 tors. eta vs tors. theta energy: -72.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1916.481937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.481937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.481937 (E_RNA) where: Base-Base interactions energy: -1373.268 where: short stacking energy: -628.169 Base-Backbone interact. energy: -1.695 local terms energy: -541.519512 where: bonds (distance) C4'-P energy: -92.113 bonds (distance) P-C4' energy: -94.374 flat angles C4'-P-C4' energy: -110.399 flat angles P-C4'-P energy: -78.652 tors. eta vs tors. theta energy: -165.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1804.996118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.996118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.996118 (E_RNA) where: Base-Base interactions energy: -1287.480 where: short stacking energy: -604.193 Base-Backbone interact. energy: -0.302 local terms energy: -517.214254 where: bonds (distance) C4'-P energy: -90.753 bonds (distance) P-C4' energy: -92.315 flat angles C4'-P-C4' energy: -108.572 flat angles P-C4'-P energy: -73.487 tors. eta vs tors. theta energy: -152.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1828.169893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.169893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.169893 (E_RNA) where: Base-Base interactions energy: -1303.501 where: short stacking energy: -600.349 Base-Backbone interact. energy: -1.241 local terms energy: -523.428216 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -88.016 flat angles C4'-P-C4' energy: -109.479 flat angles P-C4'-P energy: -69.656 tors. eta vs tors. theta energy: -163.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1755.819222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.819222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.819222 (E_RNA) where: Base-Base interactions energy: -1245.882 where: short stacking energy: -531.232 Base-Backbone interact. energy: -1.296 local terms energy: -508.640619 where: bonds (distance) C4'-P energy: -93.208 bonds (distance) P-C4' energy: -92.893 flat angles C4'-P-C4' energy: -106.299 flat angles P-C4'-P energy: -71.645 tors. eta vs tors. theta energy: -144.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1709.035281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.035281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.035281 (E_RNA) where: Base-Base interactions energy: -1237.850 where: short stacking energy: -553.778 Base-Backbone interact. energy: -0.277 local terms energy: -470.908452 where: bonds (distance) C4'-P energy: -84.162 bonds (distance) P-C4' energy: -72.591 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -71.083 tors. eta vs tors. theta energy: -146.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1604.260600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.260600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.260600 (E_RNA) where: Base-Base interactions energy: -1150.225 where: short stacking energy: -492.226 Base-Backbone interact. energy: -0.586 local terms energy: -453.449999 where: bonds (distance) C4'-P energy: -79.289 bonds (distance) P-C4' energy: -77.181 flat angles C4'-P-C4' energy: -98.909 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: -133.349 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: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1584.073024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.073024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.073024 (E_RNA) where: Base-Base interactions energy: -1152.052 where: short stacking energy: -516.130 Base-Backbone interact. energy: -2.092 local terms energy: -429.928360 where: bonds (distance) C4'-P energy: -71.058 bonds (distance) P-C4' energy: -70.253 flat angles C4'-P-C4' energy: -101.573 flat angles P-C4'-P energy: -59.787 tors. eta vs tors. theta energy: -127.257 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: 108 Temperature: 1.250000 Total energy: -1560.457471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.457471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.457471 (E_RNA) where: Base-Base interactions energy: -1111.837 where: short stacking energy: -502.784 Base-Backbone interact. energy: -3.279 local terms energy: -445.341492 where: bonds (distance) C4'-P energy: -73.587 bonds (distance) P-C4' energy: -84.868 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -58.300 tors. eta vs tors. theta energy: -135.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1399.485582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.485582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.485582 (E_RNA) where: Base-Base interactions energy: -1018.603 where: short stacking energy: -450.999 Base-Backbone interact. energy: -3.989 local terms energy: -376.894015 where: bonds (distance) C4'-P energy: -69.171 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -88.880 flat angles P-C4'-P energy: -47.817 tors. eta vs tors. theta energy: -106.530 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: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1066.612125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.612125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.612125 (E_RNA) where: Base-Base interactions energy: -710.569 where: short stacking energy: -332.819 Base-Backbone interact. energy: -3.322 local terms energy: -352.720550 where: bonds (distance) C4'-P energy: -77.960 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -81.158 flat angles P-C4'-P energy: -36.847 tors. eta vs tors. theta energy: -71.346 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: 109 Temperature: 0.900000 Total energy: -1914.951831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.951831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.951831 (E_RNA) where: Base-Base interactions energy: -1366.610 where: short stacking energy: -639.929 Base-Backbone interact. energy: -1.228 local terms energy: -547.114130 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -93.177 flat angles C4'-P-C4' energy: -114.815 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -170.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1833.275420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.275420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.275420 (E_RNA) where: Base-Base interactions energy: -1331.160 where: short stacking energy: -617.695 Base-Backbone interact. energy: -1.043 local terms energy: -501.072294 where: bonds (distance) C4'-P energy: -74.002 bonds (distance) P-C4' energy: -92.371 flat angles C4'-P-C4' energy: -108.889 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: -157.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1794.905538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.905538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.905538 (E_RNA) where: Base-Base interactions energy: -1264.594 where: short stacking energy: -570.319 Base-Backbone interact. energy: -2.240 local terms energy: -528.072245 where: bonds (distance) C4'-P energy: -87.912 bonds (distance) P-C4' energy: -103.355 flat angles C4'-P-C4' energy: -103.953 flat angles P-C4'-P energy: -77.215 tors. eta vs tors. theta energy: -155.637 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: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1762.524116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.524116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.524116 (E_RNA) where: Base-Base interactions energy: -1260.540 where: short stacking energy: -544.853 Base-Backbone interact. energy: -4.158 local terms energy: -497.826226 where: bonds (distance) C4'-P energy: -85.294 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -105.471 flat angles P-C4'-P energy: -67.598 tors. eta vs tors. theta energy: -148.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1656.290080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.290080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.290080 (E_RNA) where: Base-Base interactions energy: -1181.757 where: short stacking energy: -507.002 Base-Backbone interact. energy: -3.912 local terms energy: -470.620340 where: bonds (distance) C4'-P energy: -80.871 bonds (distance) P-C4' energy: -87.431 flat angles C4'-P-C4' energy: -100.185 flat angles P-C4'-P energy: -69.785 tors. eta vs tors. theta energy: -132.347 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: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1596.199423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.199423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.199423 (E_RNA) where: Base-Base interactions energy: -1128.846 where: short stacking energy: -495.700 Base-Backbone interact. energy: -2.859 local terms energy: -464.495035 where: bonds (distance) C4'-P energy: -77.157 bonds (distance) P-C4' energy: -81.894 flat angles C4'-P-C4' energy: -100.409 flat angles P-C4'-P energy: -73.409 tors. eta vs tors. theta energy: -131.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1522.063018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.063018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.063018 (E_RNA) where: Base-Base interactions energy: -1099.779 where: short stacking energy: -498.086 Base-Backbone interact. energy: -1.247 local terms energy: -421.037230 where: bonds (distance) C4'-P energy: -80.222 bonds (distance) P-C4' energy: -79.981 flat angles C4'-P-C4' energy: -91.167 flat angles P-C4'-P energy: -47.443 tors. eta vs tors. theta energy: -122.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1539.620633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.620633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.620633 (E_RNA) where: Base-Base interactions energy: -1091.604 where: short stacking energy: -520.471 Base-Backbone interact. energy: -4.453 local terms energy: -443.563948 where: bonds (distance) C4'-P energy: -80.147 bonds (distance) P-C4' energy: -85.079 flat angles C4'-P-C4' energy: -81.404 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -138.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1280.871356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.871356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.871356 (E_RNA) where: Base-Base interactions energy: -911.893 where: short stacking energy: -424.628 Base-Backbone interact. energy: -0.097 local terms energy: -368.881495 where: bonds (distance) C4'-P energy: -64.014 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -87.704 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -98.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1062.230391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.230391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.230391 (E_RNA) where: Base-Base interactions energy: -706.421 where: short stacking energy: -331.593 Base-Backbone interact. energy: 1.282 local terms energy: -357.091669 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: -75.007 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: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1913.317105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.317105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.317105 (E_RNA) where: Base-Base interactions energy: -1361.512 where: short stacking energy: -625.955 Base-Backbone interact. energy: -2.809 local terms energy: -548.996114 where: bonds (distance) C4'-P energy: -97.725 bonds (distance) P-C4' energy: -95.046 flat angles C4'-P-C4' energy: -112.576 flat angles P-C4'-P energy: -72.904 tors. eta vs tors. theta energy: -170.745 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: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1855.179358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.179358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.179358 (E_RNA) where: Base-Base interactions energy: -1322.545 where: short stacking energy: -610.620 Base-Backbone interact. energy: -0.999 local terms energy: -531.635055 where: bonds (distance) C4'-P energy: -89.423 bonds (distance) P-C4' energy: -88.821 flat angles C4'-P-C4' energy: -112.154 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: -167.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1789.287794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.287794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.287794 (E_RNA) where: Base-Base interactions energy: -1276.211 where: short stacking energy: -571.597 Base-Backbone interact. energy: -1.389 local terms energy: -511.687983 where: bonds (distance) C4'-P energy: -87.079 bonds (distance) P-C4' energy: -93.980 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -71.447 tors. eta vs tors. theta energy: -153.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1734.579449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.579449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.579449 (E_RNA) where: Base-Base interactions energy: -1243.090 where: short stacking energy: -539.718 Base-Backbone interact. energy: -3.615 local terms energy: -487.875214 where: bonds (distance) C4'-P energy: -83.634 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -107.462 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -151.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1676.515081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.515081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.515081 (E_RNA) where: Base-Base interactions energy: -1213.033 where: short stacking energy: -539.897 Base-Backbone interact. energy: -2.179 local terms energy: -461.302851 where: bonds (distance) C4'-P energy: -67.700 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -97.645 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -138.352 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: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1607.949187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.949187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.949187 (E_RNA) where: Base-Base interactions energy: -1173.934 where: short stacking energy: -500.879 Base-Backbone interact. energy: -1.550 local terms energy: -432.464542 where: bonds (distance) C4'-P energy: -61.758 bonds (distance) P-C4' energy: -82.706 flat angles C4'-P-C4' energy: -95.851 flat angles P-C4'-P energy: -62.289 tors. eta vs tors. theta energy: -129.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1585.833814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.833814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.833814 (E_RNA) where: Base-Base interactions energy: -1116.511 where: short stacking energy: -494.247 Base-Backbone interact. energy: 0.418 local terms energy: -469.739858 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -76.912 flat angles C4'-P-C4' energy: -104.805 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -138.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1472.736356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.736356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.736356 (E_RNA) where: Base-Base interactions energy: -1049.314 where: short stacking energy: -473.441 Base-Backbone interact. energy: -0.659 local terms energy: -422.763438 where: bonds (distance) C4'-P energy: -77.221 bonds (distance) P-C4' energy: -73.927 flat angles C4'-P-C4' energy: -87.714 flat angles P-C4'-P energy: -59.362 tors. eta vs tors. theta energy: -124.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1304.518598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.518598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.518598 (E_RNA) where: Base-Base interactions energy: -937.553 where: short stacking energy: -408.555 Base-Backbone interact. energy: -2.804 local terms energy: -364.161773 where: bonds (distance) C4'-P energy: -74.948 bonds (distance) P-C4' energy: -74.846 flat angles C4'-P-C4' energy: -79.256 flat angles P-C4'-P energy: -39.631 tors. eta vs tors. theta energy: -95.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -988.242270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.242270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.242270 (E_RNA) where: Base-Base interactions energy: -648.003 where: short stacking energy: -318.727 Base-Backbone interact. energy: -2.145 local terms energy: -338.094046 where: bonds (distance) C4'-P energy: -79.337 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -49.424 tors. eta vs tors. theta energy: -65.644 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: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1921.667760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.667760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.667760 (E_RNA) where: Base-Base interactions energy: -1373.986 where: short stacking energy: -621.290 Base-Backbone interact. energy: -2.055 local terms energy: -545.626310 where: bonds (distance) C4'-P energy: -102.109 bonds (distance) P-C4' energy: -91.902 flat angles C4'-P-C4' energy: -108.604 flat angles P-C4'-P energy: -75.729 tors. eta vs tors. theta energy: -167.281 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: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1888.516473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.516473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.516473 (E_RNA) where: Base-Base interactions energy: -1349.944 where: short stacking energy: -633.838 Base-Backbone interact. energy: -0.955 local terms energy: -537.616766 where: bonds (distance) C4'-P energy: -90.023 bonds (distance) P-C4' energy: -89.872 flat angles C4'-P-C4' energy: -110.218 flat angles P-C4'-P energy: -71.719 tors. eta vs tors. theta energy: -175.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1775.498760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.498760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.498760 (E_RNA) where: Base-Base interactions energy: -1264.634 where: short stacking energy: -572.434 Base-Backbone interact. energy: -1.429 local terms energy: -509.435527 where: bonds (distance) C4'-P energy: -90.786 bonds (distance) P-C4' energy: -94.700 flat angles C4'-P-C4' energy: -105.312 flat angles P-C4'-P energy: -68.319 tors. eta vs tors. theta energy: -150.319 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: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1739.942619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.942619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.942619 (E_RNA) where: Base-Base interactions energy: -1250.528 where: short stacking energy: -588.907 Base-Backbone interact. energy: -2.865 local terms energy: -486.549192 where: bonds (distance) C4'-P energy: -83.826 bonds (distance) P-C4' energy: -89.701 flat angles C4'-P-C4' energy: -103.186 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -150.842 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: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1674.418311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.418311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.418311 (E_RNA) where: Base-Base interactions energy: -1207.261 where: short stacking energy: -542.752 Base-Backbone interact. energy: -0.957 local terms energy: -466.200007 where: bonds (distance) C4'-P energy: -82.656 bonds (distance) P-C4' energy: -85.424 flat angles C4'-P-C4' energy: -104.916 flat angles P-C4'-P energy: -58.984 tors. eta vs tors. theta energy: -134.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1618.571796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.571796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.571796 (E_RNA) where: Base-Base interactions energy: -1155.758 where: short stacking energy: -534.873 Base-Backbone interact. energy: -1.144 local terms energy: -461.669772 where: bonds (distance) C4'-P energy: -74.092 bonds (distance) P-C4' energy: -86.132 flat angles C4'-P-C4' energy: -97.110 flat angles P-C4'-P energy: -58.500 tors. eta vs tors. theta energy: -145.836 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: 111 Temperature: 1.200000 Total energy: -1562.265973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.265973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.265973 (E_RNA) where: Base-Base interactions energy: -1100.814 where: short stacking energy: -492.595 Base-Backbone interact. energy: -1.948 local terms energy: -459.503374 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -91.402 flat angles C4'-P-C4' energy: -98.144 flat angles P-C4'-P energy: -63.305 tors. eta vs tors. theta energy: -135.664 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: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1453.276495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.276495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.276495 (E_RNA) where: Base-Base interactions energy: -1041.564 where: short stacking energy: -479.340 Base-Backbone interact. energy: -0.329 local terms energy: -411.383300 where: bonds (distance) C4'-P energy: -75.669 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -100.940 flat angles P-C4'-P energy: -54.020 tors. eta vs tors. theta energy: -112.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1328.455616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.455616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.455616 (E_RNA) where: Base-Base interactions energy: -982.088 where: short stacking energy: -410.675 Base-Backbone interact. energy: 3.945 local terms energy: -350.312939 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -72.763 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -49.880 tors. eta vs tors. theta energy: -92.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1011.141626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.141626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.141626 (E_RNA) where: Base-Base interactions energy: -690.228 where: short stacking energy: -311.612 Base-Backbone interact. energy: 1.398 local terms energy: -322.311631 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -70.657 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -62.444 tors. eta vs tors. theta energy: -63.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1907.402600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.402600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.402600 (E_RNA) where: Base-Base interactions energy: -1367.367 where: short stacking energy: -627.795 Base-Backbone interact. energy: 0.171 local terms energy: -540.206655 where: bonds (distance) C4'-P energy: -98.299 bonds (distance) P-C4' energy: -95.339 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -169.835 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: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1881.002742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.002742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.002742 (E_RNA) where: Base-Base interactions energy: -1352.086 where: short stacking energy: -599.040 Base-Backbone interact. energy: -3.058 local terms energy: -525.859051 where: bonds (distance) C4'-P energy: -90.802 bonds (distance) P-C4' energy: -94.637 flat angles C4'-P-C4' energy: -103.963 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -161.094 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: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1821.716243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.716243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.716243 (E_RNA) where: Base-Base interactions energy: -1304.711 where: short stacking energy: -583.624 Base-Backbone interact. energy: 0.943 local terms energy: -517.948386 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -92.072 flat angles C4'-P-C4' energy: -113.003 flat angles P-C4'-P energy: -73.706 tors. eta vs tors. theta energy: -154.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1706.776072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.776072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.776072 (E_RNA) where: Base-Base interactions energy: -1229.413 where: short stacking energy: -544.941 Base-Backbone interact. energy: 2.979 local terms energy: -480.342267 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -90.978 flat angles C4'-P-C4' energy: -107.051 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -148.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1660.280619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.280619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.280619 (E_RNA) where: Base-Base interactions energy: -1178.171 where: short stacking energy: -548.054 Base-Backbone interact. energy: -2.225 local terms energy: -479.885129 where: bonds (distance) C4'-P energy: -77.713 bonds (distance) P-C4' energy: -85.601 flat angles C4'-P-C4' energy: -103.489 flat angles P-C4'-P energy: -64.697 tors. eta vs tors. theta energy: -148.385 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: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1661.598736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.598736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.598736 (E_RNA) where: Base-Base interactions energy: -1173.302 where: short stacking energy: -533.083 Base-Backbone interact. energy: -4.549 local terms energy: -483.747473 where: bonds (distance) C4'-P energy: -94.044 bonds (distance) P-C4' energy: -70.788 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -71.199 tors. eta vs tors. theta energy: -141.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1560.644758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.644758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.644758 (E_RNA) where: Base-Base interactions energy: -1111.125 where: short stacking energy: -509.333 Base-Backbone interact. energy: -3.013 local terms energy: -446.506198 where: bonds (distance) C4'-P energy: -93.083 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -101.138 flat angles P-C4'-P energy: -52.432 tors. eta vs tors. theta energy: -124.734 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: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1468.391081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.391081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.391081 (E_RNA) where: Base-Base interactions energy: -1060.165 where: short stacking energy: -467.829 Base-Backbone interact. energy: -1.493 local terms energy: -406.732317 where: bonds (distance) C4'-P energy: -66.497 bonds (distance) P-C4' energy: -74.934 flat angles C4'-P-C4' energy: -83.236 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -124.643 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: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1278.120930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.120930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.120930 (E_RNA) where: Base-Base interactions energy: -907.853 where: short stacking energy: -417.289 Base-Backbone interact. energy: -1.046 local terms energy: -369.222561 where: bonds (distance) C4'-P energy: -69.224 bonds (distance) P-C4' energy: -53.884 flat angles C4'-P-C4' energy: -94.777 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -108.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1005.070522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.070522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.070522 (E_RNA) where: Base-Base interactions energy: -694.647 where: short stacking energy: -344.457 Base-Backbone interact. energy: 1.075 local terms energy: -311.498564 where: bonds (distance) C4'-P energy: -70.711 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -62.188 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -69.332 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: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1915.012493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.012493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.012493 (E_RNA) where: Base-Base interactions energy: -1363.453 where: short stacking energy: -614.990 Base-Backbone interact. energy: -2.652 local terms energy: -548.907633 where: bonds (distance) C4'-P energy: -92.331 bonds (distance) P-C4' energy: -89.872 flat angles C4'-P-C4' energy: -110.991 flat angles P-C4'-P energy: -86.221 tors. eta vs tors. theta energy: -169.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1918.640019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.640019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.640019 (E_RNA) where: Base-Base interactions energy: -1370.203 where: short stacking energy: -636.982 Base-Backbone interact. energy: -2.544 local terms energy: -545.892177 where: bonds (distance) C4'-P energy: -89.761 bonds (distance) P-C4' energy: -95.108 flat angles C4'-P-C4' energy: -115.233 flat angles P-C4'-P energy: -77.514 tors. eta vs tors. theta energy: -168.275 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: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1804.293459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.293459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.293459 (E_RNA) where: Base-Base interactions energy: -1288.181 where: short stacking energy: -563.243 Base-Backbone interact. energy: -2.177 local terms energy: -513.935121 where: bonds (distance) C4'-P energy: -93.532 bonds (distance) P-C4' energy: -94.344 flat angles C4'-P-C4' energy: -107.721 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -149.032 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: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1724.159957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.159957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.159957 (E_RNA) where: Base-Base interactions energy: -1228.062 where: short stacking energy: -546.072 Base-Backbone interact. energy: -2.877 local terms energy: -493.221164 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -92.436 flat angles C4'-P-C4' energy: -101.932 flat angles P-C4'-P energy: -63.539 tors. eta vs tors. theta energy: -150.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1663.076284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.076284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.076284 (E_RNA) where: Base-Base interactions energy: -1178.011 where: short stacking energy: -542.273 Base-Backbone interact. energy: -1.468 local terms energy: -483.597726 where: bonds (distance) C4'-P energy: -87.684 bonds (distance) P-C4' energy: -83.987 flat angles C4'-P-C4' energy: -102.215 flat angles P-C4'-P energy: -67.582 tors. eta vs tors. theta energy: -142.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1554.204048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.204048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.204048 (E_RNA) where: Base-Base interactions energy: -1105.157 where: short stacking energy: -497.977 Base-Backbone interact. energy: -1.979 local terms energy: -447.068114 where: bonds (distance) C4'-P energy: -81.268 bonds (distance) P-C4' energy: -76.301 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -66.948 tors. eta vs tors. theta energy: -128.679 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: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1634.159255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.159255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.159255 (E_RNA) where: Base-Base interactions energy: -1166.339 where: short stacking energy: -543.743 Base-Backbone interact. energy: -1.070 local terms energy: -466.750884 where: bonds (distance) C4'-P energy: -80.101 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -102.071 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -137.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1530.295997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.295997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.295997 (E_RNA) where: Base-Base interactions energy: -1112.471 where: short stacking energy: -493.180 Base-Backbone interact. energy: 2.090 local terms energy: -419.915274 where: bonds (distance) C4'-P energy: -88.197 bonds (distance) P-C4' energy: -80.367 flat angles C4'-P-C4' energy: -83.119 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -125.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1328.495864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.495864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.495864 (E_RNA) where: Base-Base interactions energy: -949.160 where: short stacking energy: -430.855 Base-Backbone interact. energy: -1.894 local terms energy: -377.442303 where: bonds (distance) C4'-P energy: -55.952 bonds (distance) P-C4' energy: -76.662 flat angles C4'-P-C4' energy: -75.409 flat angles P-C4'-P energy: -54.093 tors. eta vs tors. theta energy: -115.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1048.372451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.372451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.372451 (E_RNA) where: Base-Base interactions energy: -685.888 where: short stacking energy: -351.658 Base-Backbone interact. energy: 0.612 local terms energy: -363.096365 where: bonds (distance) C4'-P energy: -70.703 bonds (distance) P-C4' energy: -77.214 flat angles C4'-P-C4' energy: -90.534 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -75.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1918.387507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.387507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.387507 (E_RNA) where: Base-Base interactions energy: -1365.471 where: short stacking energy: -619.564 Base-Backbone interact. energy: -3.028 local terms energy: -549.887855 where: bonds (distance) C4'-P energy: -90.078 bonds (distance) P-C4' energy: -94.718 flat angles C4'-P-C4' energy: -114.367 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -170.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1872.744761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.744761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.744761 (E_RNA) where: Base-Base interactions energy: -1337.723 where: short stacking energy: -609.448 Base-Backbone interact. energy: -1.910 local terms energy: -533.111134 where: bonds (distance) C4'-P energy: -93.795 bonds (distance) P-C4' energy: -86.609 flat angles C4'-P-C4' energy: -112.476 flat angles P-C4'-P energy: -77.938 tors. eta vs tors. theta energy: -162.293 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: 114 Temperature: 1.000000 Total energy: -1831.626189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.626189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.626189 (E_RNA) where: Base-Base interactions energy: -1301.709 where: short stacking energy: -593.537 Base-Backbone interact. energy: -4.875 local terms energy: -525.042561 where: bonds (distance) C4'-P energy: -92.729 bonds (distance) P-C4' energy: -83.773 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -87.225 tors. eta vs tors. theta energy: -153.947 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: 4, replica: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1682.250016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.250016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.250016 (E_RNA) where: Base-Base interactions energy: -1201.108 where: short stacking energy: -544.481 Base-Backbone interact. energy: -0.859 local terms energy: -480.282863 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -83.996 flat angles C4'-P-C4' energy: -105.252 flat angles P-C4'-P energy: -68.266 tors. eta vs tors. theta energy: -141.957 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: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1671.293088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.293088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.293088 (E_RNA) where: Base-Base interactions energy: -1168.782 where: short stacking energy: -554.078 Base-Backbone interact. energy: -0.590 local terms energy: -501.921298 where: bonds (distance) C4'-P energy: -83.221 bonds (distance) P-C4' energy: -86.933 flat angles C4'-P-C4' energy: -105.552 flat angles P-C4'-P energy: -72.615 tors. eta vs tors. theta energy: -153.600 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: 9 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1591.969094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.969094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.969094 (E_RNA) where: Base-Base interactions energy: -1134.949 where: short stacking energy: -514.588 Base-Backbone interact. energy: -0.877 local terms energy: -456.143456 where: bonds (distance) C4'-P energy: -95.373 bonds (distance) P-C4' energy: -81.801 flat angles C4'-P-C4' energy: -89.492 flat angles P-C4'-P energy: -62.727 tors. eta vs tors. theta energy: -126.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1568.868224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.868224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.868224 (E_RNA) where: Base-Base interactions energy: -1121.223 where: short stacking energy: -484.449 Base-Backbone interact. energy: -1.333 local terms energy: -446.311704 where: bonds (distance) C4'-P energy: -92.593 bonds (distance) P-C4' energy: -72.760 flat angles C4'-P-C4' energy: -100.104 flat angles P-C4'-P energy: -53.342 tors. eta vs tors. theta energy: -127.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1442.124019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.124019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.124019 (E_RNA) where: Base-Base interactions energy: -1011.806 where: short stacking energy: -446.269 Base-Backbone interact. energy: -2.149 local terms energy: -428.168783 where: bonds (distance) C4'-P energy: -86.132 bonds (distance) P-C4' energy: -88.187 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -111.555 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: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1300.117602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.117602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.117602 (E_RNA) where: Base-Base interactions energy: -904.375 where: short stacking energy: -402.243 Base-Backbone interact. energy: 0.957 local terms energy: -396.699568 where: bonds (distance) C4'-P energy: -73.912 bonds (distance) P-C4' energy: -79.469 flat angles C4'-P-C4' energy: -89.045 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -98.689 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: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1127.131416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.131416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.131416 (E_RNA) where: Base-Base interactions energy: -759.321 where: short stacking energy: -354.042 Base-Backbone interact. energy: -0.362 local terms energy: -367.448222 where: bonds (distance) C4'-P energy: -65.642 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -85.003 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -75.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1911.329743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.329743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.329743 (E_RNA) where: Base-Base interactions energy: -1367.632 where: short stacking energy: -622.419 Base-Backbone interact. energy: -3.444 local terms energy: -540.253886 where: bonds (distance) C4'-P energy: -90.001 bonds (distance) P-C4' energy: -89.443 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -75.565 tors. eta vs tors. theta energy: -169.401 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: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1898.624598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.624598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.624598 (E_RNA) where: Base-Base interactions energy: -1349.834 where: short stacking energy: -634.906 Base-Backbone interact. energy: -1.147 local terms energy: -547.644294 where: bonds (distance) C4'-P energy: -96.984 bonds (distance) P-C4' energy: -99.815 flat angles C4'-P-C4' energy: -113.665 flat angles P-C4'-P energy: -68.875 tors. eta vs tors. theta energy: -168.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1811.039538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.039538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.039538 (E_RNA) where: Base-Base interactions energy: -1291.272 where: short stacking energy: -568.869 Base-Backbone interact. energy: -3.010 local terms energy: -516.757594 where: bonds (distance) C4'-P energy: -97.705 bonds (distance) P-C4' energy: -86.196 flat angles C4'-P-C4' energy: -108.605 flat angles P-C4'-P energy: -67.802 tors. eta vs tors. theta energy: -156.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1686.802616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.802616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.802616 (E_RNA) where: Base-Base interactions energy: -1200.615 where: short stacking energy: -537.265 Base-Backbone interact. energy: 0.750 local terms energy: -486.937929 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -78.120 flat angles C4'-P-C4' energy: -114.506 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -139.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1731.692447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.692447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.692447 (E_RNA) where: Base-Base interactions energy: -1231.122 where: short stacking energy: -546.625 Base-Backbone interact. energy: -3.396 local terms energy: -497.173905 where: bonds (distance) C4'-P energy: -82.348 bonds (distance) P-C4' energy: -85.008 flat angles C4'-P-C4' energy: -104.722 flat angles P-C4'-P energy: -68.006 tors. eta vs tors. theta energy: -157.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1629.749334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.749334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.749334 (E_RNA) where: Base-Base interactions energy: -1148.165 where: short stacking energy: -542.720 Base-Backbone interact. energy: 0.326 local terms energy: -481.909796 where: bonds (distance) C4'-P energy: -95.510 bonds (distance) P-C4' energy: -77.189 flat angles C4'-P-C4' energy: -99.867 flat angles P-C4'-P energy: -60.745 tors. eta vs tors. theta energy: -148.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1571.624088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.624088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.624088 (E_RNA) where: Base-Base interactions energy: -1134.250 where: short stacking energy: -521.621 Base-Backbone interact. energy: 0.562 local terms energy: -437.936034 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -85.972 flat angles C4'-P-C4' energy: -93.804 flat angles P-C4'-P energy: -57.240 tors. eta vs tors. theta energy: -133.632 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: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1412.294500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.294500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.294500 (E_RNA) where: Base-Base interactions energy: -1005.356 where: short stacking energy: -468.267 Base-Backbone interact. energy: 1.105 local terms energy: -408.043948 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -76.631 flat angles C4'-P-C4' energy: -95.868 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: -122.812 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: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1325.355435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.355435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.355435 (E_RNA) where: Base-Base interactions energy: -942.203 where: short stacking energy: -407.539 Base-Backbone interact. energy: -1.915 local terms energy: -381.237088 where: bonds (distance) C4'-P energy: -64.498 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -82.946 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -103.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1116.663586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.663586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.663586 (E_RNA) where: Base-Base interactions energy: -762.537 where: short stacking energy: -371.862 Base-Backbone interact. energy: 1.463 local terms energy: -355.589310 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -87.128 flat angles C4'-P-C4' energy: -68.252 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -79.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1940.055265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.055265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.055265 (E_RNA) where: Base-Base interactions energy: -1387.974 where: short stacking energy: -637.515 Base-Backbone interact. energy: -1.360 local terms energy: -550.720841 where: bonds (distance) C4'-P energy: -91.783 bonds (distance) P-C4' energy: -103.101 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -76.603 tors. eta vs tors. theta energy: -169.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1859.601450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.601450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.601450 (E_RNA) where: Base-Base interactions energy: -1339.114 where: short stacking energy: -593.812 Base-Backbone interact. energy: -2.589 local terms energy: -517.898709 where: bonds (distance) C4'-P energy: -93.328 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -105.631 flat angles P-C4'-P energy: -69.131 tors. eta vs tors. theta energy: -166.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1796.263345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.263345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.263345 (E_RNA) where: Base-Base interactions energy: -1303.600 where: short stacking energy: -569.908 Base-Backbone interact. energy: -1.466 local terms energy: -491.197909 where: bonds (distance) C4'-P energy: -85.665 bonds (distance) P-C4' energy: -77.784 flat angles C4'-P-C4' energy: -106.248 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -149.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1689.968915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.968915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.968915 (E_RNA) where: Base-Base interactions energy: -1189.980 where: short stacking energy: -539.329 Base-Backbone interact. energy: -3.334 local terms energy: -496.655219 where: bonds (distance) C4'-P energy: -90.531 bonds (distance) P-C4' energy: -95.218 flat angles C4'-P-C4' energy: -99.592 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -144.175 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: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1750.631182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.631182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.631182 (E_RNA) where: Base-Base interactions energy: -1244.349 where: short stacking energy: -581.981 Base-Backbone interact. energy: -2.347 local terms energy: -503.935227 where: bonds (distance) C4'-P energy: -83.333 bonds (distance) P-C4' energy: -78.249 flat angles C4'-P-C4' energy: -112.842 flat angles P-C4'-P energy: -72.503 tors. eta vs tors. theta energy: -157.008 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: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1634.941777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.941777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.941777 (E_RNA) where: Base-Base interactions energy: -1171.110 where: short stacking energy: -516.921 Base-Backbone interact. energy: -1.985 local terms energy: -461.846330 where: bonds (distance) C4'-P energy: -88.771 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -97.678 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -142.479 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: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1548.977905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.977905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.977905 (E_RNA) where: Base-Base interactions energy: -1125.045 where: short stacking energy: -513.252 Base-Backbone interact. energy: -0.266 local terms energy: -423.666632 where: bonds (distance) C4'-P energy: -80.792 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -97.730 flat angles P-C4'-P energy: -59.706 tors. eta vs tors. theta energy: -122.263 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: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1439.992716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.992716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.992716 (E_RNA) where: Base-Base interactions energy: -1009.673 where: short stacking energy: -471.323 Base-Backbone interact. energy: 1.329 local terms energy: -431.649136 where: bonds (distance) C4'-P energy: -85.208 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -90.616 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: -110.172 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: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1301.047805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.047805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.047805 (E_RNA) where: Base-Base interactions energy: -940.292 where: short stacking energy: -392.910 Base-Backbone interact. energy: -0.058 local terms energy: -360.698386 where: bonds (distance) C4'-P energy: -66.417 bonds (distance) P-C4' energy: -77.223 flat angles C4'-P-C4' energy: -79.377 flat angles P-C4'-P energy: -40.791 tors. eta vs tors. theta energy: -96.890 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: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1122.710675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.710675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.710675 (E_RNA) where: Base-Base interactions energy: -769.271 where: short stacking energy: -375.908 Base-Backbone interact. energy: -1.101 local terms energy: -352.338311 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -82.281 flat angles C4'-P-C4' energy: -80.885 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: -94.913 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: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1921.715491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.715491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.715491 (E_RNA) where: Base-Base interactions energy: -1378.336 where: short stacking energy: -657.104 Base-Backbone interact. energy: -1.604 local terms energy: -541.775663 where: bonds (distance) C4'-P energy: -90.624 bonds (distance) P-C4' energy: -103.091 flat angles C4'-P-C4' energy: -106.124 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -165.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1891.615508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.615508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.615508 (E_RNA) where: Base-Base interactions energy: -1360.529 where: short stacking energy: -622.391 Base-Backbone interact. energy: -0.655 local terms energy: -530.430980 where: bonds (distance) C4'-P energy: -92.608 bonds (distance) P-C4' energy: -91.073 flat angles C4'-P-C4' energy: -101.927 flat angles P-C4'-P energy: -72.268 tors. eta vs tors. theta energy: -172.555 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: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1799.754783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.754783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.754783 (E_RNA) where: Base-Base interactions energy: -1285.944 where: short stacking energy: -590.069 Base-Backbone interact. energy: 0.130 local terms energy: -513.940955 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -96.659 flat angles C4'-P-C4' energy: -101.719 flat angles P-C4'-P energy: -73.461 tors. eta vs tors. theta energy: -145.202 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: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1791.253825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.253825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.253825 (E_RNA) where: Base-Base interactions energy: -1279.944 where: short stacking energy: -578.101 Base-Backbone interact. energy: -1.961 local terms energy: -509.349016 where: bonds (distance) C4'-P energy: -75.102 bonds (distance) P-C4' energy: -103.678 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -61.819 tors. eta vs tors. theta energy: -156.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1644.519069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.519069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.519069 (E_RNA) where: Base-Base interactions energy: -1176.854 where: short stacking energy: -514.845 Base-Backbone interact. energy: 1.025 local terms energy: -468.690151 where: bonds (distance) C4'-P energy: -80.534 bonds (distance) P-C4' energy: -82.280 flat angles C4'-P-C4' energy: -99.891 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -135.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1628.798811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.798811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.798811 (E_RNA) where: Base-Base interactions energy: -1161.375 where: short stacking energy: -534.955 Base-Backbone interact. energy: 3.244 local terms energy: -470.667384 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -89.877 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -57.646 tors. eta vs tors. theta energy: -141.538 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: 117 Temperature: 1.200000 Total energy: -1576.047504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.047504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.047504 (E_RNA) where: Base-Base interactions energy: -1126.515 where: short stacking energy: -492.851 Base-Backbone interact. energy: -0.658 local terms energy: -448.874504 where: bonds (distance) C4'-P energy: -77.161 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -94.712 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -128.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1405.921703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.921703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.921703 (E_RNA) where: Base-Base interactions energy: -984.153 where: short stacking energy: -445.121 Base-Backbone interact. energy: -2.165 local terms energy: -419.603581 where: bonds (distance) C4'-P energy: -78.808 bonds (distance) P-C4' energy: -74.822 flat angles C4'-P-C4' energy: -87.570 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: -116.363 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: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1309.918702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.918702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.918702 (E_RNA) where: Base-Base interactions energy: -898.953 where: short stacking energy: -393.973 Base-Backbone interact. energy: -2.038 local terms energy: -408.927414 where: bonds (distance) C4'-P energy: -80.406 bonds (distance) P-C4' energy: -84.089 flat angles C4'-P-C4' energy: -94.414 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -101.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1097.339951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.339951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.339951 (E_RNA) where: Base-Base interactions energy: -733.183 where: short stacking energy: -341.013 Base-Backbone interact. energy: 0.087 local terms energy: -364.244491 where: bonds (distance) C4'-P energy: -81.075 bonds (distance) P-C4' energy: -74.402 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -51.072 tors. eta vs tors. theta energy: -79.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1901.400490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.400490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.400490 (E_RNA) where: Base-Base interactions energy: -1350.484 where: short stacking energy: -623.664 Base-Backbone interact. energy: -0.920 local terms energy: -549.996761 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -90.196 flat angles C4'-P-C4' energy: -112.376 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -169.578 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1898.828212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.828212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.828212 (E_RNA) where: Base-Base interactions energy: -1357.615 where: short stacking energy: -642.504 Base-Backbone interact. energy: -1.563 local terms energy: -539.649816 where: bonds (distance) C4'-P energy: -85.048 bonds (distance) P-C4' energy: -101.473 flat angles C4'-P-C4' energy: -107.212 flat angles P-C4'-P energy: -77.803 tors. eta vs tors. theta energy: -168.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1793.054640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.054640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.054640 (E_RNA) where: Base-Base interactions energy: -1292.123 where: short stacking energy: -588.619 Base-Backbone interact. energy: -1.621 local terms energy: -499.310875 where: bonds (distance) C4'-P energy: -90.541 bonds (distance) P-C4' energy: -88.152 flat angles C4'-P-C4' energy: -116.252 flat angles P-C4'-P energy: -61.969 tors. eta vs tors. theta energy: -142.396 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: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1772.539967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.539967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.539967 (E_RNA) where: Base-Base interactions energy: -1260.997 where: short stacking energy: -558.478 Base-Backbone interact. energy: -0.878 local terms energy: -510.664735 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -88.447 flat angles C4'-P-C4' energy: -101.611 flat angles P-C4'-P energy: -76.296 tors. eta vs tors. theta energy: -153.407 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: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1638.104873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.104873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.104873 (E_RNA) where: Base-Base interactions energy: -1179.221 where: short stacking energy: -542.697 Base-Backbone interact. energy: -0.159 local terms energy: -458.725156 where: bonds (distance) C4'-P energy: -71.599 bonds (distance) P-C4' energy: -80.429 flat angles C4'-P-C4' energy: -98.116 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: -147.347 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: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1640.633959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.633959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.633959 (E_RNA) where: Base-Base interactions energy: -1167.692 where: short stacking energy: -500.700 Base-Backbone interact. energy: -1.919 local terms energy: -471.022968 where: bonds (distance) C4'-P energy: -93.112 bonds (distance) P-C4' energy: -70.611 flat angles C4'-P-C4' energy: -107.360 flat angles P-C4'-P energy: -63.104 tors. eta vs tors. theta energy: -136.836 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: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1589.602761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.602761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.602761 (E_RNA) where: Base-Base interactions energy: -1146.674 where: short stacking energy: -525.623 Base-Backbone interact. energy: 0.682 local terms energy: -443.610775 where: bonds (distance) C4'-P energy: -65.420 bonds (distance) P-C4' energy: -92.313 flat angles C4'-P-C4' energy: -94.016 flat angles P-C4'-P energy: -51.119 tors. eta vs tors. theta energy: -140.743 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: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1420.235069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.235069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.235069 (E_RNA) where: Base-Base interactions energy: -1008.013 where: short stacking energy: -455.941 Base-Backbone interact. energy: -0.167 local terms energy: -412.055455 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -87.507 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -45.126 tors. eta vs tors. theta energy: -109.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1304.347531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.347531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.347531 (E_RNA) where: Base-Base interactions energy: -921.972 where: short stacking energy: -417.119 Base-Backbone interact. energy: -1.377 local terms energy: -380.999181 where: bonds (distance) C4'-P energy: -62.476 bonds (distance) P-C4' energy: -60.487 flat angles C4'-P-C4' energy: -89.553 flat angles P-C4'-P energy: -57.737 tors. eta vs tors. theta energy: -110.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1132.518923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.518923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.518923 (E_RNA) where: Base-Base interactions energy: -797.392 where: short stacking energy: -371.973 Base-Backbone interact. energy: -2.046 local terms energy: -333.081522 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -72.990 flat angles C4'-P-C4' energy: -75.472 flat angles P-C4'-P energy: -35.675 tors. eta vs tors. theta energy: -88.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1904.516610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.516610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.516610 (E_RNA) where: Base-Base interactions energy: -1362.644 where: short stacking energy: -623.791 Base-Backbone interact. energy: -0.725 local terms energy: -541.147731 where: bonds (distance) C4'-P energy: -88.612 bonds (distance) P-C4' energy: -102.129 flat angles C4'-P-C4' energy: -109.938 flat angles P-C4'-P energy: -74.143 tors. eta vs tors. theta energy: -166.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1901.035847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.035847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.035847 (E_RNA) where: Base-Base interactions energy: -1378.538 where: short stacking energy: -635.774 Base-Backbone interact. energy: -1.220 local terms energy: -521.278633 where: bonds (distance) C4'-P energy: -91.814 bonds (distance) P-C4' energy: -85.318 flat angles C4'-P-C4' energy: -109.810 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -166.209 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: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1789.299782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.299782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.299782 (E_RNA) where: Base-Base interactions energy: -1276.863 where: short stacking energy: -585.071 Base-Backbone interact. energy: -1.315 local terms energy: -511.122366 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -103.329 flat angles P-C4'-P energy: -69.956 tors. eta vs tors. theta energy: -151.793 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: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1757.704859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.704859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.704859 (E_RNA) where: Base-Base interactions energy: -1259.833 where: short stacking energy: -570.850 Base-Backbone interact. energy: -2.025 local terms energy: -495.846020 where: bonds (distance) C4'-P energy: -79.572 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -70.439 tors. eta vs tors. theta energy: -154.164 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: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1655.914593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.914593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.914593 (E_RNA) where: Base-Base interactions energy: -1192.155 where: short stacking energy: -538.076 Base-Backbone interact. energy: 6.087 local terms energy: -469.846389 where: bonds (distance) C4'-P energy: -82.583 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -100.210 flat angles P-C4'-P energy: -60.829 tors. eta vs tors. theta energy: -144.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1605.324750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.324750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.324750 (E_RNA) where: Base-Base interactions energy: -1150.988 where: short stacking energy: -516.297 Base-Backbone interact. energy: -4.466 local terms energy: -449.870856 where: bonds (distance) C4'-P energy: -86.928 bonds (distance) P-C4' energy: -76.740 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -133.834 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: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1573.757006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.757006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.757006 (E_RNA) where: Base-Base interactions energy: -1120.093 where: short stacking energy: -531.118 Base-Backbone interact. energy: -2.209 local terms energy: -451.455407 where: bonds (distance) C4'-P energy: -75.447 bonds (distance) P-C4' energy: -80.405 flat angles C4'-P-C4' energy: -95.859 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -142.956 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: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1405.697800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.697800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.697800 (E_RNA) where: Base-Base interactions energy: -1000.580 where: short stacking energy: -447.582 Base-Backbone interact. energy: -0.507 local terms energy: -404.610536 where: bonds (distance) C4'-P energy: -74.563 bonds (distance) P-C4' energy: -77.690 flat angles C4'-P-C4' energy: -88.738 flat angles P-C4'-P energy: -53.476 tors. eta vs tors. theta energy: -110.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1297.631555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.631555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.631555 (E_RNA) where: Base-Base interactions energy: -933.636 where: short stacking energy: -407.114 Base-Backbone interact. energy: 0.808 local terms energy: -364.803551 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -74.622 flat angles C4'-P-C4' energy: -76.663 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: -94.954 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: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1027.983636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.983636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.983636 (E_RNA) where: Base-Base interactions energy: -680.483 where: short stacking energy: -314.997 Base-Backbone interact. energy: -1.112 local terms energy: -346.388825 where: bonds (distance) C4'-P energy: -72.309 bonds (distance) P-C4' energy: -75.363 flat angles C4'-P-C4' energy: -75.478 flat angles P-C4'-P energy: -59.105 tors. eta vs tors. theta energy: -64.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1908.843618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.843618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.843618 (E_RNA) where: Base-Base interactions energy: -1364.143 where: short stacking energy: -618.093 Base-Backbone interact. energy: 0.441 local terms energy: -545.141401 where: bonds (distance) C4'-P energy: -93.616 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -120.407 flat angles P-C4'-P energy: -78.556 tors. eta vs tors. theta energy: -165.005 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: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1894.335923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.335923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.335923 (E_RNA) where: Base-Base interactions energy: -1353.254 where: short stacking energy: -625.553 Base-Backbone interact. energy: 0.659 local terms energy: -541.741235 where: bonds (distance) C4'-P energy: -91.149 bonds (distance) P-C4' energy: -96.719 flat angles C4'-P-C4' energy: -111.495 flat angles P-C4'-P energy: -69.814 tors. eta vs tors. theta energy: -172.564 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: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1831.720334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.720334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.720334 (E_RNA) where: Base-Base interactions energy: -1313.771 where: short stacking energy: -597.262 Base-Backbone interact. energy: -1.086 local terms energy: -516.863736 where: bonds (distance) C4'-P energy: -91.999 bonds (distance) P-C4' energy: -93.640 flat angles C4'-P-C4' energy: -101.881 flat angles P-C4'-P energy: -69.644 tors. eta vs tors. theta energy: -159.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1736.946014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.946014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.946014 (E_RNA) where: Base-Base interactions energy: -1250.103 where: short stacking energy: -548.847 Base-Backbone interact. energy: -2.006 local terms energy: -484.837189 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -84.686 flat angles C4'-P-C4' energy: -99.597 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -149.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1691.788627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.788627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.788627 (E_RNA) where: Base-Base interactions energy: -1232.565 where: short stacking energy: -565.042 Base-Backbone interact. energy: 2.243 local terms energy: -461.466775 where: bonds (distance) C4'-P energy: -79.625 bonds (distance) P-C4' energy: -89.941 flat angles C4'-P-C4' energy: -86.847 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: -146.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1592.619123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.619123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.619123 (E_RNA) where: Base-Base interactions energy: -1129.237 where: short stacking energy: -512.845 Base-Backbone interact. energy: 0.162 local terms energy: -463.543913 where: bonds (distance) C4'-P energy: -82.700 bonds (distance) P-C4' energy: -84.347 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -61.291 tors. eta vs tors. theta energy: -141.880 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: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1638.955130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.955130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.955130 (E_RNA) where: Base-Base interactions energy: -1187.832 where: short stacking energy: -545.029 Base-Backbone interact. energy: -2.242 local terms energy: -448.881146 where: bonds (distance) C4'-P energy: -82.316 bonds (distance) P-C4' energy: -80.123 flat angles C4'-P-C4' energy: -87.583 flat angles P-C4'-P energy: -61.139 tors. eta vs tors. theta energy: -137.720 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: 120 Temperature: 1.250000 Total energy: -1385.983188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.983188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.983188 (E_RNA) where: Base-Base interactions energy: -978.945 where: short stacking energy: -456.199 Base-Backbone interact. energy: -3.653 local terms energy: -403.386110 where: bonds (distance) C4'-P energy: -74.685 bonds (distance) P-C4' energy: -72.235 flat angles C4'-P-C4' energy: -97.907 flat angles P-C4'-P energy: -55.058 tors. eta vs tors. theta energy: -103.500 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: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1321.336106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.336106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.336106 (E_RNA) where: Base-Base interactions energy: -934.061 where: short stacking energy: -419.595 Base-Backbone interact. energy: 2.904 local terms energy: -390.179237 where: bonds (distance) C4'-P energy: -64.355 bonds (distance) P-C4' energy: -84.702 flat angles C4'-P-C4' energy: -76.270 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -111.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1134.915227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.915227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.915227 (E_RNA) where: Base-Base interactions energy: -781.839 where: short stacking energy: -367.203 Base-Backbone interact. energy: 2.605 local terms energy: -355.681602 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -85.437 flat angles P-C4'-P energy: -55.089 tors. eta vs tors. theta energy: -78.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1884.474372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.474372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.474372 (E_RNA) where: Base-Base interactions energy: -1342.971 where: short stacking energy: -616.790 Base-Backbone interact. energy: -2.110 local terms energy: -539.393333 where: bonds (distance) C4'-P energy: -99.995 bonds (distance) P-C4' energy: -89.806 flat angles C4'-P-C4' energy: -116.436 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -164.195 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: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1902.114557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.114557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.114557 (E_RNA) where: Base-Base interactions energy: -1352.086 where: short stacking energy: -630.880 Base-Backbone interact. energy: -4.155 local terms energy: -545.873508 where: bonds (distance) C4'-P energy: -95.895 bonds (distance) P-C4' energy: -96.705 flat angles C4'-P-C4' energy: -109.259 flat angles P-C4'-P energy: -78.748 tors. eta vs tors. theta energy: -165.267 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: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1830.843539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.843539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.843539 (E_RNA) where: Base-Base interactions energy: -1313.684 where: short stacking energy: -600.059 Base-Backbone interact. energy: -5.346 local terms energy: -511.813674 where: bonds (distance) C4'-P energy: -90.009 bonds (distance) P-C4' energy: -79.056 flat angles C4'-P-C4' energy: -113.673 flat angles P-C4'-P energy: -74.618 tors. eta vs tors. theta energy: -154.458 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: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1757.601398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.601398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.601398 (E_RNA) where: Base-Base interactions energy: -1258.941 where: short stacking energy: -564.705 Base-Backbone interact. energy: -1.690 local terms energy: -496.970318 where: bonds (distance) C4'-P energy: -83.386 bonds (distance) P-C4' energy: -96.189 flat angles C4'-P-C4' energy: -100.609 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -152.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1686.631270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.631270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.631270 (E_RNA) where: Base-Base interactions energy: -1221.082 where: short stacking energy: -564.458 Base-Backbone interact. energy: 0.050 local terms energy: -465.599506 where: bonds (distance) C4'-P energy: -89.398 bonds (distance) P-C4' energy: -71.297 flat angles C4'-P-C4' energy: -86.407 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -152.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1592.332336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.332336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.332336 (E_RNA) where: Base-Base interactions energy: -1119.127 where: short stacking energy: -528.918 Base-Backbone interact. energy: -1.488 local terms energy: -471.717013 where: bonds (distance) C4'-P energy: -86.846 bonds (distance) P-C4' energy: -85.316 flat angles C4'-P-C4' energy: -103.613 flat angles P-C4'-P energy: -55.726 tors. eta vs tors. theta energy: -140.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1569.760320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.760320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.760320 (E_RNA) where: Base-Base interactions energy: -1135.043 where: short stacking energy: -516.957 Base-Backbone interact. energy: -2.554 local terms energy: -432.163331 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -68.066 flat angles C4'-P-C4' energy: -97.589 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -132.413 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: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1406.062038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.062038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.062038 (E_RNA) where: Base-Base interactions energy: -982.594 where: short stacking energy: -455.315 Base-Backbone interact. energy: -3.546 local terms energy: -419.922106 where: bonds (distance) C4'-P energy: -83.844 bonds (distance) P-C4' energy: -70.313 flat angles C4'-P-C4' energy: -89.938 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -120.460 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: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1326.899012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.899012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.899012 (E_RNA) where: Base-Base interactions energy: -921.575 where: short stacking energy: -397.871 Base-Backbone interact. energy: 1.954 local terms energy: -407.277739 where: bonds (distance) C4'-P energy: -81.349 bonds (distance) P-C4' energy: -86.125 flat angles C4'-P-C4' energy: -82.112 flat angles P-C4'-P energy: -50.419 tors. eta vs tors. theta energy: -107.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1183.014952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.014952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.014952 (E_RNA) where: Base-Base interactions energy: -807.971 where: short stacking energy: -365.253 Base-Backbone interact. energy: 3.304 local terms energy: -378.348140 where: bonds (distance) C4'-P energy: -75.454 bonds (distance) P-C4' energy: -83.071 flat angles C4'-P-C4' energy: -81.331 flat angles P-C4'-P energy: -54.809 tors. eta vs tors. theta energy: -83.684 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: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1938.887094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.887094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.887094 (E_RNA) where: Base-Base interactions energy: -1399.819 where: short stacking energy: -652.387 Base-Backbone interact. energy: -3.225 local terms energy: -535.843140 where: bonds (distance) C4'-P energy: -83.934 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -113.553 flat angles P-C4'-P energy: -88.687 tors. eta vs tors. theta energy: -163.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1862.866432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.866432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.866432 (E_RNA) where: Base-Base interactions energy: -1317.477 where: short stacking energy: -596.466 Base-Backbone interact. energy: -1.655 local terms energy: -543.734640 where: bonds (distance) C4'-P energy: -86.114 bonds (distance) P-C4' energy: -98.005 flat angles C4'-P-C4' energy: -112.322 flat angles P-C4'-P energy: -85.993 tors. eta vs tors. theta energy: -161.301 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: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1805.832400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.832400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.832400 (E_RNA) where: Base-Base interactions energy: -1261.482 where: short stacking energy: -562.491 Base-Backbone interact. energy: -1.613 local terms energy: -542.737826 where: bonds (distance) C4'-P energy: -93.409 bonds (distance) P-C4' energy: -98.208 flat angles C4'-P-C4' energy: -116.941 flat angles P-C4'-P energy: -78.083 tors. eta vs tors. theta energy: -156.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1766.906960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.906960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.906960 (E_RNA) where: Base-Base interactions energy: -1261.878 where: short stacking energy: -518.948 Base-Backbone interact. energy: -4.849 local terms energy: -500.179060 where: bonds (distance) C4'-P energy: -89.260 bonds (distance) P-C4' energy: -90.825 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -146.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1678.782655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.782655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.782655 (E_RNA) where: Base-Base interactions energy: -1210.083 where: short stacking energy: -540.741 Base-Backbone interact. energy: -1.291 local terms energy: -467.408105 where: bonds (distance) C4'-P energy: -77.094 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -99.494 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -136.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1579.893689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.893689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.893689 (E_RNA) where: Base-Base interactions energy: -1129.038 where: short stacking energy: -526.297 Base-Backbone interact. energy: -1.512 local terms energy: -449.344417 where: bonds (distance) C4'-P energy: -81.179 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -98.408 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -137.042 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: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1596.204651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.204651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.204651 (E_RNA) where: Base-Base interactions energy: -1128.514 where: short stacking energy: -526.798 Base-Backbone interact. energy: -1.218 local terms energy: -466.472558 where: bonds (distance) C4'-P energy: -74.043 bonds (distance) P-C4' energy: -72.305 flat angles C4'-P-C4' energy: -109.230 flat angles P-C4'-P energy: -71.082 tors. eta vs tors. theta energy: -139.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1403.330565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.330565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.330565 (E_RNA) where: Base-Base interactions energy: -1004.233 where: short stacking energy: -471.918 Base-Backbone interact. energy: 0.148 local terms energy: -399.245769 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -73.281 flat angles C4'-P-C4' energy: -92.814 flat angles P-C4'-P energy: -58.088 tors. eta vs tors. theta energy: -112.608 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: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1378.655322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.655322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.655322 (E_RNA) where: Base-Base interactions energy: -990.544 where: short stacking energy: -465.724 Base-Backbone interact. energy: -0.450 local terms energy: -387.661021 where: bonds (distance) C4'-P energy: -72.063 bonds (distance) P-C4' energy: -77.164 flat angles C4'-P-C4' energy: -94.118 flat angles P-C4'-P energy: -36.311 tors. eta vs tors. theta energy: -108.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1160.659691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.659691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.659691 (E_RNA) where: Base-Base interactions energy: -793.382 where: short stacking energy: -365.779 Base-Backbone interact. energy: -1.515 local terms energy: -365.763145 where: bonds (distance) C4'-P energy: -66.885 bonds (distance) P-C4' energy: -87.249 flat angles C4'-P-C4' energy: -77.009 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -78.681 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: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1940.879956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.879956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.879956 (E_RNA) where: Base-Base interactions energy: -1391.211 where: short stacking energy: -643.905 Base-Backbone interact. energy: 0.999 local terms energy: -550.668148 where: bonds (distance) C4'-P energy: -96.931 bonds (distance) P-C4' energy: -97.360 flat angles C4'-P-C4' energy: -114.327 flat angles P-C4'-P energy: -78.779 tors. eta vs tors. theta energy: -163.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1872.022400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.022400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.022400 (E_RNA) where: Base-Base interactions energy: -1348.707 where: short stacking energy: -617.120 Base-Backbone interact. energy: -2.053 local terms energy: -521.262325 where: bonds (distance) C4'-P energy: -86.019 bonds (distance) P-C4' energy: -100.873 flat angles C4'-P-C4' energy: -104.583 flat angles P-C4'-P energy: -63.706 tors. eta vs tors. theta energy: -166.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1822.854262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.854262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.854262 (E_RNA) where: Base-Base interactions energy: -1308.234 where: short stacking energy: -586.325 Base-Backbone interact. energy: -0.138 local terms energy: -514.482433 where: bonds (distance) C4'-P energy: -96.837 bonds (distance) P-C4' energy: -80.240 flat angles C4'-P-C4' energy: -101.253 flat angles P-C4'-P energy: -74.920 tors. eta vs tors. theta energy: -161.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1789.809683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.809683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.809683 (E_RNA) where: Base-Base interactions energy: -1298.335 where: short stacking energy: -574.681 Base-Backbone interact. energy: -0.216 local terms energy: -491.258812 where: bonds (distance) C4'-P energy: -92.237 bonds (distance) P-C4' energy: -81.270 flat angles C4'-P-C4' energy: -104.292 flat angles P-C4'-P energy: -71.477 tors. eta vs tors. theta energy: -141.983 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: 5, replica: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1658.183680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.183680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.183680 (E_RNA) where: Base-Base interactions energy: -1193.083 where: short stacking energy: -548.019 Base-Backbone interact. energy: 0.289 local terms energy: -465.390122 where: bonds (distance) C4'-P energy: -70.554 bonds (distance) P-C4' energy: -92.572 flat angles C4'-P-C4' energy: -101.852 flat angles P-C4'-P energy: -63.390 tors. eta vs tors. theta energy: -137.022 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: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1630.513436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.513436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.513436 (E_RNA) where: Base-Base interactions energy: -1167.915 where: short stacking energy: -520.507 Base-Backbone interact. energy: -2.744 local terms energy: -459.854416 where: bonds (distance) C4'-P energy: -87.949 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -104.060 flat angles P-C4'-P energy: -60.619 tors. eta vs tors. theta energy: -138.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1610.399041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.399041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.399041 (E_RNA) where: Base-Base interactions energy: -1150.844 where: short stacking energy: -522.565 Base-Backbone interact. energy: -0.098 local terms energy: -459.457707 where: bonds (distance) C4'-P energy: -86.552 bonds (distance) P-C4' energy: -73.466 flat angles C4'-P-C4' energy: -96.521 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -135.632 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: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1388.066513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.066513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.066513 (E_RNA) where: Base-Base interactions energy: -980.026 where: short stacking energy: -453.999 Base-Backbone interact. energy: 1.796 local terms energy: -409.837033 where: bonds (distance) C4'-P energy: -72.588 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -105.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1374.499548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.499548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.499548 (E_RNA) where: Base-Base interactions energy: -963.157 where: short stacking energy: -458.016 Base-Backbone interact. energy: -2.695 local terms energy: -408.647625 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -76.822 flat angles C4'-P-C4' energy: -90.620 flat angles P-C4'-P energy: -57.945 tors. eta vs tors. theta energy: -110.859 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: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1087.407724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.407724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.407724 (E_RNA) where: Base-Base interactions energy: -726.316 where: short stacking energy: -329.366 Base-Backbone interact. energy: 1.083 local terms energy: -362.175072 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -82.462 flat angles C4'-P-C4' energy: -72.343 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -73.548 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: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1923.987728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.987728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.987728 (E_RNA) where: Base-Base interactions energy: -1355.078 where: short stacking energy: -617.723 Base-Backbone interact. energy: -2.318 local terms energy: -566.591683 where: bonds (distance) C4'-P energy: -103.275 bonds (distance) P-C4' energy: -103.792 flat angles C4'-P-C4' energy: -112.403 flat angles P-C4'-P energy: -79.588 tors. eta vs tors. theta energy: -167.533 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: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1873.951593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.951593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.951593 (E_RNA) where: Base-Base interactions energy: -1342.011 where: short stacking energy: -628.356 Base-Backbone interact. energy: -1.145 local terms energy: -530.794765 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -95.969 flat angles C4'-P-C4' energy: -111.799 flat angles P-C4'-P energy: -65.658 tors. eta vs tors. theta energy: -166.274 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: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1815.503256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.503256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.503256 (E_RNA) where: Base-Base interactions energy: -1296.801 where: short stacking energy: -581.342 Base-Backbone interact. energy: -1.067 local terms energy: -517.635618 where: bonds (distance) C4'-P energy: -95.789 bonds (distance) P-C4' energy: -85.989 flat angles C4'-P-C4' energy: -100.266 flat angles P-C4'-P energy: -76.800 tors. eta vs tors. theta energy: -158.791 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: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1771.680138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.680138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.680138 (E_RNA) where: Base-Base interactions energy: -1272.850 where: short stacking energy: -574.391 Base-Backbone interact. energy: -2.286 local terms energy: -496.544103 where: bonds (distance) C4'-P energy: -88.141 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -106.178 flat angles P-C4'-P energy: -77.780 tors. eta vs tors. theta energy: -147.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1706.237018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.237018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.237018 (E_RNA) where: Base-Base interactions energy: -1227.003 where: short stacking energy: -552.325 Base-Backbone interact. energy: -1.074 local terms energy: -478.160819 where: bonds (distance) C4'-P energy: -84.922 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -106.598 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: -144.412 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: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1641.488282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.488282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.488282 (E_RNA) where: Base-Base interactions energy: -1205.204 where: short stacking energy: -541.718 Base-Backbone interact. energy: -2.414 local terms energy: -433.871004 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -99.815 flat angles P-C4'-P energy: -62.266 tors. eta vs tors. theta energy: -136.603 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: 124 Temperature: 1.200000 Total energy: -1592.349861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.349861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.349861 (E_RNA) where: Base-Base interactions energy: -1136.226 where: short stacking energy: -523.099 Base-Backbone interact. energy: -2.206 local terms energy: -453.918121 where: bonds (distance) C4'-P energy: -89.791 bonds (distance) P-C4' energy: -80.988 flat angles C4'-P-C4' energy: -99.584 flat angles P-C4'-P energy: -59.135 tors. eta vs tors. theta energy: -124.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1395.556020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.556020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.556020 (E_RNA) where: Base-Base interactions energy: -985.034 where: short stacking energy: -445.938 Base-Backbone interact. energy: -1.146 local terms energy: -409.375506 where: bonds (distance) C4'-P energy: -77.793 bonds (distance) P-C4' energy: -77.792 flat angles C4'-P-C4' energy: -100.479 flat angles P-C4'-P energy: -42.852 tors. eta vs tors. theta energy: -110.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1321.820105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.820105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.820105 (E_RNA) where: Base-Base interactions energy: -930.334 where: short stacking energy: -438.437 Base-Backbone interact. energy: -1.322 local terms energy: -390.164393 where: bonds (distance) C4'-P energy: -84.791 bonds (distance) P-C4' energy: -77.411 flat angles C4'-P-C4' energy: -86.659 flat angles P-C4'-P energy: -42.768 tors. eta vs tors. theta energy: -98.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1157.386531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.386531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.386531 (E_RNA) where: Base-Base interactions energy: -776.742 where: short stacking energy: -384.528 Base-Backbone interact. energy: 4.700 local terms energy: -385.344776 where: bonds (distance) C4'-P energy: -78.165 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -99.285 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -72.611 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: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1933.002836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.002836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.002836 (E_RNA) where: Base-Base interactions energy: -1379.770 where: short stacking energy: -636.109 Base-Backbone interact. energy: -1.074 local terms energy: -552.158868 where: bonds (distance) C4'-P energy: -87.286 bonds (distance) P-C4' energy: -101.811 flat angles C4'-P-C4' energy: -108.755 flat angles P-C4'-P energy: -81.290 tors. eta vs tors. theta energy: -173.017 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: 125 Temperature: 0.950000 Total energy: -1852.883971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.883971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.883971 (E_RNA) where: Base-Base interactions energy: -1332.294 where: short stacking energy: -591.985 Base-Backbone interact. energy: -1.558 local terms energy: -519.032082 where: bonds (distance) C4'-P energy: -84.404 bonds (distance) P-C4' energy: -92.127 flat angles C4'-P-C4' energy: -104.667 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -164.209 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: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1826.476999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.476999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.476999 (E_RNA) where: Base-Base interactions energy: -1294.312 where: short stacking energy: -605.034 Base-Backbone interact. energy: -1.177 local terms energy: -530.987613 where: bonds (distance) C4'-P energy: -80.998 bonds (distance) P-C4' energy: -97.705 flat angles C4'-P-C4' energy: -115.704 flat angles P-C4'-P energy: -73.846 tors. eta vs tors. theta energy: -162.734 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: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1738.245508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.245508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.245508 (E_RNA) where: Base-Base interactions energy: -1246.328 where: short stacking energy: -549.594 Base-Backbone interact. energy: -3.079 local terms energy: -488.838474 where: bonds (distance) C4'-P energy: -91.203 bonds (distance) P-C4' energy: -87.285 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -69.588 tors. eta vs tors. theta energy: -139.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1712.280702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.280702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.280702 (E_RNA) where: Base-Base interactions energy: -1250.711 where: short stacking energy: -566.595 Base-Backbone interact. energy: -0.897 local terms energy: -460.673249 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -85.375 flat angles C4'-P-C4' energy: -91.452 flat angles P-C4'-P energy: -53.910 tors. eta vs tors. theta energy: -152.142 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1657.471926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.471926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.471926 (E_RNA) where: Base-Base interactions energy: -1184.701 where: short stacking energy: -523.459 Base-Backbone interact. energy: -3.238 local terms energy: -469.532940 where: bonds (distance) C4'-P energy: -85.327 bonds (distance) P-C4' energy: -85.021 flat angles C4'-P-C4' energy: -95.296 flat angles P-C4'-P energy: -64.844 tors. eta vs tors. theta energy: -139.045 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: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1547.580945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.580945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.580945 (E_RNA) where: Base-Base interactions energy: -1106.433 where: short stacking energy: -504.679 Base-Backbone interact. energy: -1.260 local terms energy: -439.887131 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -103.364 flat angles P-C4'-P energy: -66.329 tors. eta vs tors. theta energy: -125.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1371.403358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.403358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.403358 (E_RNA) where: Base-Base interactions energy: -976.318 where: short stacking energy: -432.796 Base-Backbone interact. energy: 1.149 local terms energy: -396.235010 where: bonds (distance) C4'-P energy: -72.938 bonds (distance) P-C4' energy: -64.117 flat angles C4'-P-C4' energy: -92.137 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: -116.948 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: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1310.439877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.439877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.439877 (E_RNA) where: Base-Base interactions energy: -924.681 where: short stacking energy: -382.609 Base-Backbone interact. energy: -1.441 local terms energy: -384.318589 where: bonds (distance) C4'-P energy: -77.289 bonds (distance) P-C4' energy: -67.858 flat angles C4'-P-C4' energy: -89.635 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -94.288 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: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1113.178386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.178386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.178386 (E_RNA) where: Base-Base interactions energy: -773.340 where: short stacking energy: -370.481 Base-Backbone interact. energy: -1.191 local terms energy: -338.647150 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -66.965 flat angles C4'-P-C4' energy: -85.965 flat angles P-C4'-P energy: -46.339 tors. eta vs tors. theta energy: -78.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1937.185418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.185418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.185418 (E_RNA) where: Base-Base interactions energy: -1409.969 where: short stacking energy: -644.142 Base-Backbone interact. energy: -0.646 local terms energy: -526.570302 where: bonds (distance) C4'-P energy: -84.751 bonds (distance) P-C4' energy: -97.120 flat angles C4'-P-C4' energy: -103.534 flat angles P-C4'-P energy: -74.206 tors. eta vs tors. theta energy: -166.959 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1848.226543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.226543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.226543 (E_RNA) where: Base-Base interactions energy: -1333.347 where: short stacking energy: -612.401 Base-Backbone interact. energy: -1.003 local terms energy: -513.876299 where: bonds (distance) C4'-P energy: -89.076 bonds (distance) P-C4' energy: -88.543 flat angles C4'-P-C4' energy: -104.691 flat angles P-C4'-P energy: -74.222 tors. eta vs tors. theta energy: -157.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1805.798986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.798986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.798986 (E_RNA) where: Base-Base interactions energy: -1294.434 where: short stacking energy: -594.392 Base-Backbone interact. energy: -3.342 local terms energy: -508.022560 where: bonds (distance) C4'-P energy: -88.583 bonds (distance) P-C4' energy: -84.078 flat angles C4'-P-C4' energy: -105.436 flat angles P-C4'-P energy: -78.958 tors. eta vs tors. theta energy: -150.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1751.359093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.359093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.359093 (E_RNA) where: Base-Base interactions energy: -1256.339 where: short stacking energy: -568.565 Base-Backbone interact. energy: -1.137 local terms energy: -493.882963 where: bonds (distance) C4'-P energy: -81.207 bonds (distance) P-C4' energy: -83.879 flat angles C4'-P-C4' energy: -109.852 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -145.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1689.987140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.987140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.987140 (E_RNA) where: Base-Base interactions energy: -1198.970 where: short stacking energy: -543.557 Base-Backbone interact. energy: -2.819 local terms energy: -488.198282 where: bonds (distance) C4'-P energy: -79.997 bonds (distance) P-C4' energy: -102.941 flat angles C4'-P-C4' energy: -104.242 flat angles P-C4'-P energy: -55.178 tors. eta vs tors. theta energy: -145.840 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: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1671.971845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.971845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.971845 (E_RNA) where: Base-Base interactions energy: -1215.399 where: short stacking energy: -554.719 Base-Backbone interact. energy: -4.095 local terms energy: -452.478528 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -64.726 flat angles C4'-P-C4' energy: -102.372 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -145.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1564.119935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.119935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.119935 (E_RNA) where: Base-Base interactions energy: -1143.922 where: short stacking energy: -504.154 Base-Backbone interact. energy: -1.212 local terms energy: -418.986082 where: bonds (distance) C4'-P energy: -61.149 bonds (distance) P-C4' energy: -61.353 flat angles C4'-P-C4' energy: -95.073 flat angles P-C4'-P energy: -63.260 tors. eta vs tors. theta energy: -138.150 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: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1380.248731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.248731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.248731 (E_RNA) where: Base-Base interactions energy: -974.985 where: short stacking energy: -414.931 Base-Backbone interact. energy: 0.373 local terms energy: -405.636764 where: bonds (distance) C4'-P energy: -74.677 bonds (distance) P-C4' energy: -85.548 flat angles C4'-P-C4' energy: -89.655 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -108.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1349.842841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.842841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.842841 (E_RNA) where: Base-Base interactions energy: -939.028 where: short stacking energy: -427.336 Base-Backbone interact. energy: -0.396 local terms energy: -410.418965 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -72.517 flat angles C4'-P-C4' energy: -88.090 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: -117.724 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: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1139.613154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.613154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.613154 (E_RNA) where: Base-Base interactions energy: -795.465 where: short stacking energy: -367.163 Base-Backbone interact. energy: 4.009 local terms energy: -348.156620 where: bonds (distance) C4'-P energy: -61.342 bonds (distance) P-C4' energy: -82.020 flat angles C4'-P-C4' energy: -80.791 flat angles P-C4'-P energy: -40.818 tors. eta vs tors. theta energy: -83.185 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1947.343132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.343132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.343132 (E_RNA) where: Base-Base interactions energy: -1392.682 where: short stacking energy: -649.882 Base-Backbone interact. energy: -0.858 local terms energy: -553.803772 where: bonds (distance) C4'-P energy: -95.131 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -113.879 flat angles P-C4'-P energy: -85.994 tors. eta vs tors. theta energy: -170.917 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1857.361915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.361915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.361915 (E_RNA) where: Base-Base interactions energy: -1336.623 where: short stacking energy: -610.027 Base-Backbone interact. energy: 0.571 local terms energy: -521.309506 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -87.152 flat angles C4'-P-C4' energy: -104.297 flat angles P-C4'-P energy: -79.205 tors. eta vs tors. theta energy: -159.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1800.321786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.321786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.321786 (E_RNA) where: Base-Base interactions energy: -1284.646 where: short stacking energy: -603.182 Base-Backbone interact. energy: -0.654 local terms energy: -515.021677 where: bonds (distance) C4'-P energy: -89.658 bonds (distance) P-C4' energy: -80.132 flat angles C4'-P-C4' energy: -106.189 flat angles P-C4'-P energy: -73.855 tors. eta vs tors. theta energy: -165.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1763.227792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.227792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.227792 (E_RNA) where: Base-Base interactions energy: -1265.549 where: short stacking energy: -541.046 Base-Backbone interact. energy: -2.871 local terms energy: -494.807961 where: bonds (distance) C4'-P energy: -91.182 bonds (distance) P-C4' energy: -77.482 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -148.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1635.726433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.726433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.726433 (E_RNA) where: Base-Base interactions energy: -1171.920 where: short stacking energy: -549.691 Base-Backbone interact. energy: -2.515 local terms energy: -461.291318 where: bonds (distance) C4'-P energy: -77.376 bonds (distance) P-C4' energy: -70.478 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -70.381 tors. eta vs tors. theta energy: -142.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1703.673386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.673386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.673386 (E_RNA) where: Base-Base interactions energy: -1210.377 where: short stacking energy: -543.547 Base-Backbone interact. energy: -3.366 local terms energy: -489.929878 where: bonds (distance) C4'-P energy: -68.518 bonds (distance) P-C4' energy: -103.583 flat angles C4'-P-C4' energy: -103.862 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -144.132 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: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1558.598433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.598433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.598433 (E_RNA) where: Base-Base interactions energy: -1105.468 where: short stacking energy: -491.395 Base-Backbone interact. energy: -2.441 local terms energy: -450.689611 where: bonds (distance) C4'-P energy: -94.188 bonds (distance) P-C4' energy: -85.153 flat angles C4'-P-C4' energy: -85.538 flat angles P-C4'-P energy: -59.940 tors. eta vs tors. theta energy: -125.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1424.483584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.483584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.483584 (E_RNA) where: Base-Base interactions energy: -988.175 where: short stacking energy: -459.713 Base-Backbone interact. energy: -2.830 local terms energy: -433.478606 where: bonds (distance) C4'-P energy: -80.298 bonds (distance) P-C4' energy: -82.877 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -122.251 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: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1340.435219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.435219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.435219 (E_RNA) where: Base-Base interactions energy: -949.213 where: short stacking energy: -421.334 Base-Backbone interact. energy: -0.153 local terms energy: -391.068982 where: bonds (distance) C4'-P energy: -59.165 bonds (distance) P-C4' energy: -77.569 flat angles C4'-P-C4' energy: -93.248 flat angles P-C4'-P energy: -53.981 tors. eta vs tors. theta energy: -107.105 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: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1136.870546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.870546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.870546 (E_RNA) where: Base-Base interactions energy: -797.024 where: short stacking energy: -362.409 Base-Backbone interact. energy: -2.374 local terms energy: -337.471806 where: bonds (distance) C4'-P energy: -68.720 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -57.085 flat angles P-C4'-P energy: -35.627 tors. eta vs tors. theta energy: -85.485 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: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1947.892684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.892684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.892684 (E_RNA) where: Base-Base interactions energy: -1383.857 where: short stacking energy: -645.576 Base-Backbone interact. energy: -2.371 local terms energy: -561.664373 where: bonds (distance) C4'-P energy: -98.581 bonds (distance) P-C4' energy: -98.601 flat angles C4'-P-C4' energy: -108.013 flat angles P-C4'-P energy: -80.673 tors. eta vs tors. theta energy: -175.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1880.463873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.463873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.463873 (E_RNA) where: Base-Base interactions energy: -1366.875 where: short stacking energy: -620.044 Base-Backbone interact. energy: -1.875 local terms energy: -511.713300 where: bonds (distance) C4'-P energy: -82.868 bonds (distance) P-C4' energy: -79.627 flat angles C4'-P-C4' energy: -114.366 flat angles P-C4'-P energy: -76.006 tors. eta vs tors. theta energy: -158.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1805.796606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.796606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.796606 (E_RNA) where: Base-Base interactions energy: -1301.783 where: short stacking energy: -592.133 Base-Backbone interact. energy: -3.678 local terms energy: -500.335367 where: bonds (distance) C4'-P energy: -88.726 bonds (distance) P-C4' energy: -74.574 flat angles C4'-P-C4' energy: -109.296 flat angles P-C4'-P energy: -69.627 tors. eta vs tors. theta energy: -158.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1754.674420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.674420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.674420 (E_RNA) where: Base-Base interactions energy: -1267.258 where: short stacking energy: -572.425 Base-Backbone interact. energy: -0.470 local terms energy: -486.946714 where: bonds (distance) C4'-P energy: -73.445 bonds (distance) P-C4' energy: -86.405 flat angles C4'-P-C4' energy: -105.192 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: -148.484 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: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1693.605596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.605596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.605596 (E_RNA) where: Base-Base interactions energy: -1232.815 where: short stacking energy: -536.407 Base-Backbone interact. energy: 1.836 local terms energy: -462.626427 where: bonds (distance) C4'-P energy: -85.782 bonds (distance) P-C4' energy: -72.416 flat angles C4'-P-C4' energy: -94.059 flat angles P-C4'-P energy: -70.246 tors. eta vs tors. theta energy: -140.123 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: 128 Temperature: 1.150000 Total energy: -1613.410010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.410010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.410010 (E_RNA) where: Base-Base interactions energy: -1160.546 where: short stacking energy: -525.994 Base-Backbone interact. energy: -1.872 local terms energy: -450.992044 where: bonds (distance) C4'-P energy: -78.515 bonds (distance) P-C4' energy: -78.706 flat angles C4'-P-C4' energy: -96.612 flat angles P-C4'-P energy: -66.650 tors. eta vs tors. theta energy: -130.509 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: 128 Temperature: 1.200000 Total energy: -1613.134097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.134097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.134097 (E_RNA) where: Base-Base interactions energy: -1164.204 where: short stacking energy: -538.781 Base-Backbone interact. energy: -1.252 local terms energy: -447.677771 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -72.809 flat angles C4'-P-C4' energy: -106.536 flat angles P-C4'-P energy: -53.380 tors. eta vs tors. theta energy: -134.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1433.654102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.654102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.654102 (E_RNA) where: Base-Base interactions energy: -1003.521 where: short stacking energy: -449.340 Base-Backbone interact. energy: -1.275 local terms energy: -428.858039 where: bonds (distance) C4'-P energy: -91.935 bonds (distance) P-C4' energy: -82.102 flat angles C4'-P-C4' energy: -85.849 flat angles P-C4'-P energy: -54.836 tors. eta vs tors. theta energy: -114.136 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: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1403.774854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.774854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.774854 (E_RNA) where: Base-Base interactions energy: -976.534 where: short stacking energy: -481.787 Base-Backbone interact. energy: -1.469 local terms energy: -425.771208 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -77.531 flat angles C4'-P-C4' energy: -93.380 flat angles P-C4'-P energy: -65.879 tors. eta vs tors. theta energy: -118.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1143.510189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.510189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.510189 (E_RNA) where: Base-Base interactions energy: -770.431 where: short stacking energy: -367.065 Base-Backbone interact. energy: 0.417 local terms energy: -373.495801 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -74.564 flat angles C4'-P-C4' energy: -78.755 flat angles P-C4'-P energy: -61.744 tors. eta vs tors. theta energy: -80.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1941.952210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.952210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.952210 (E_RNA) where: Base-Base interactions energy: -1388.613 where: short stacking energy: -654.247 Base-Backbone interact. energy: -0.541 local terms energy: -552.798072 where: bonds (distance) C4'-P energy: -89.135 bonds (distance) P-C4' energy: -97.090 flat angles C4'-P-C4' energy: -117.522 flat angles P-C4'-P energy: -77.580 tors. eta vs tors. theta energy: -171.470 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: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1906.935608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.935608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.935608 (E_RNA) where: Base-Base interactions energy: -1369.349 where: short stacking energy: -627.660 Base-Backbone interact. energy: -1.483 local terms energy: -536.103943 where: bonds (distance) C4'-P energy: -92.687 bonds (distance) P-C4' energy: -90.495 flat angles C4'-P-C4' energy: -111.463 flat angles P-C4'-P energy: -77.748 tors. eta vs tors. theta energy: -163.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1806.679832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.679832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.679832 (E_RNA) where: Base-Base interactions energy: -1272.421 where: short stacking energy: -577.376 Base-Backbone interact. energy: -1.316 local terms energy: -532.942959 where: bonds (distance) C4'-P energy: -100.611 bonds (distance) P-C4' energy: -89.639 flat angles C4'-P-C4' energy: -112.993 flat angles P-C4'-P energy: -70.915 tors. eta vs tors. theta energy: -158.784 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: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1748.041361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.041361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.041361 (E_RNA) where: Base-Base interactions energy: -1252.035 where: short stacking energy: -562.373 Base-Backbone interact. energy: -0.088 local terms energy: -495.918305 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -80.840 flat angles C4'-P-C4' energy: -106.380 flat angles P-C4'-P energy: -73.892 tors. eta vs tors. theta energy: -147.104 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: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1690.211504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.211504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.211504 (E_RNA) where: Base-Base interactions energy: -1207.942 where: short stacking energy: -521.415 Base-Backbone interact. energy: -2.859 local terms energy: -479.410314 where: bonds (distance) C4'-P energy: -82.731 bonds (distance) P-C4' energy: -89.112 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -61.293 tors. eta vs tors. theta energy: -142.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1628.454788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.454788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.454788 (E_RNA) where: Base-Base interactions energy: -1165.555 where: short stacking energy: -525.855 Base-Backbone interact. energy: -0.546 local terms energy: -462.353111 where: bonds (distance) C4'-P energy: -71.485 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -96.212 flat angles P-C4'-P energy: -70.407 tors. eta vs tors. theta energy: -138.096 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: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1583.454771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.454771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.454771 (E_RNA) where: Base-Base interactions energy: -1126.537 where: short stacking energy: -497.430 Base-Backbone interact. energy: -3.017 local terms energy: -453.900367 where: bonds (distance) C4'-P energy: -83.878 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -92.870 flat angles P-C4'-P energy: -72.109 tors. eta vs tors. theta energy: -126.493 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: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1464.136623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.136623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.136623 (E_RNA) where: Base-Base interactions energy: -1027.549 where: short stacking energy: -481.523 Base-Backbone interact. energy: -0.649 local terms energy: -435.938997 where: bonds (distance) C4'-P energy: -72.609 bonds (distance) P-C4' energy: -80.242 flat angles C4'-P-C4' energy: -94.228 flat angles P-C4'-P energy: -70.695 tors. eta vs tors. theta energy: -118.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1295.703824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.703824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.703824 (E_RNA) where: Base-Base interactions energy: -920.183 where: short stacking energy: -432.675 Base-Backbone interact. energy: 0.322 local terms energy: -375.841910 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -75.874 flat angles C4'-P-C4' energy: -85.677 flat angles P-C4'-P energy: -48.671 tors. eta vs tors. theta energy: -113.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1148.780148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.780148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.780148 (E_RNA) where: Base-Base interactions energy: -789.568 where: short stacking energy: -378.332 Base-Backbone interact. energy: 1.578 local terms energy: -360.790541 where: bonds (distance) C4'-P energy: -70.224 bonds (distance) P-C4' energy: -76.049 flat angles C4'-P-C4' energy: -79.956 flat angles P-C4'-P energy: -37.965 tors. eta vs tors. theta energy: -96.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1909.839631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.839631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.839631 (E_RNA) where: Base-Base interactions energy: -1347.635 where: short stacking energy: -602.806 Base-Backbone interact. energy: -0.624 local terms energy: -561.580807 where: bonds (distance) C4'-P energy: -97.765 bonds (distance) P-C4' energy: -103.964 flat angles C4'-P-C4' energy: -115.464 flat angles P-C4'-P energy: -79.340 tors. eta vs tors. theta energy: -165.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1923.641413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.641413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.641413 (E_RNA) where: Base-Base interactions energy: -1390.689 where: short stacking energy: -650.521 Base-Backbone interact. energy: -0.864 local terms energy: -532.088736 where: bonds (distance) C4'-P energy: -80.857 bonds (distance) P-C4' energy: -89.346 flat angles C4'-P-C4' energy: -106.975 flat angles P-C4'-P energy: -80.523 tors. eta vs tors. theta energy: -174.387 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: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1806.965021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.965021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.965021 (E_RNA) where: Base-Base interactions energy: -1295.647 where: short stacking energy: -600.869 Base-Backbone interact. energy: -3.596 local terms energy: -507.722332 where: bonds (distance) C4'-P energy: -80.334 bonds (distance) P-C4' energy: -91.023 flat angles C4'-P-C4' energy: -108.740 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -158.820 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: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1737.743249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.743249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.743249 (E_RNA) where: Base-Base interactions energy: -1254.690 where: short stacking energy: -572.178 Base-Backbone interact. energy: -1.921 local terms energy: -481.132967 where: bonds (distance) C4'-P energy: -96.803 bonds (distance) P-C4' energy: -60.873 flat angles C4'-P-C4' energy: -103.025 flat angles P-C4'-P energy: -72.548 tors. eta vs tors. theta energy: -147.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1714.945239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.945239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.945239 (E_RNA) where: Base-Base interactions energy: -1235.691 where: short stacking energy: -550.743 Base-Backbone interact. energy: -0.778 local terms energy: -478.476635 where: bonds (distance) C4'-P energy: -83.381 bonds (distance) P-C4' energy: -87.052 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: -145.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1616.653155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.653155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.653155 (E_RNA) where: Base-Base interactions energy: -1182.076 where: short stacking energy: -531.325 Base-Backbone interact. energy: 0.046 local terms energy: -434.623117 where: bonds (distance) C4'-P energy: -75.070 bonds (distance) P-C4' energy: -73.277 flat angles C4'-P-C4' energy: -88.486 flat angles P-C4'-P energy: -65.456 tors. eta vs tors. theta energy: -132.335 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: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1633.017012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.017012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.017012 (E_RNA) where: Base-Base interactions energy: -1151.788 where: short stacking energy: -513.840 Base-Backbone interact. energy: 0.741 local terms energy: -481.969991 where: bonds (distance) C4'-P energy: -84.965 bonds (distance) P-C4' energy: -87.545 flat angles C4'-P-C4' energy: -106.906 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -147.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1455.330369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.330369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.330369 (E_RNA) where: Base-Base interactions energy: -1041.148 where: short stacking energy: -470.190 Base-Backbone interact. energy: 0.979 local terms energy: -415.161466 where: bonds (distance) C4'-P energy: -65.200 bonds (distance) P-C4' energy: -77.187 flat angles C4'-P-C4' energy: -94.808 flat angles P-C4'-P energy: -59.566 tors. eta vs tors. theta energy: -118.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1254.900589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.900589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.900589 (E_RNA) where: Base-Base interactions energy: -893.918 where: short stacking energy: -403.190 Base-Backbone interact. energy: -0.989 local terms energy: -359.992959 where: bonds (distance) C4'-P energy: -61.884 bonds (distance) P-C4' energy: -76.393 flat angles C4'-P-C4' energy: -80.110 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -94.673 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1155.732894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.732894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.732894 (E_RNA) where: Base-Base interactions energy: -816.088 where: short stacking energy: -381.373 Base-Backbone interact. energy: 3.805 local terms energy: -343.450357 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -77.610 flat angles P-C4'-P energy: -52.225 tors. eta vs tors. theta energy: -77.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1890.247386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.247386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.247386 (E_RNA) where: Base-Base interactions energy: -1349.285 where: short stacking energy: -592.336 Base-Backbone interact. energy: 0.104 local terms energy: -541.065806 where: bonds (distance) C4'-P energy: -93.647 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -115.125 flat angles P-C4'-P energy: -79.227 tors. eta vs tors. theta energy: -155.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1890.024182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.024182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.024182 (E_RNA) where: Base-Base interactions energy: -1346.466 where: short stacking energy: -620.855 Base-Backbone interact. energy: -1.648 local terms energy: -541.910216 where: bonds (distance) C4'-P energy: -82.549 bonds (distance) P-C4' energy: -100.911 flat angles C4'-P-C4' energy: -117.460 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -167.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1811.866097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.866097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.866097 (E_RNA) where: Base-Base interactions energy: -1297.732 where: short stacking energy: -610.298 Base-Backbone interact. energy: -0.805 local terms energy: -513.329487 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -87.216 flat angles C4'-P-C4' energy: -111.343 flat angles P-C4'-P energy: -77.861 tors. eta vs tors. theta energy: -160.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1765.452491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.452491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.452491 (E_RNA) where: Base-Base interactions energy: -1290.905 where: short stacking energy: -555.903 Base-Backbone interact. energy: -3.224 local terms energy: -471.323631 where: bonds (distance) C4'-P energy: -88.113 bonds (distance) P-C4' energy: -79.530 flat angles C4'-P-C4' energy: -107.950 flat angles P-C4'-P energy: -51.859 tors. eta vs tors. theta energy: -143.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1722.099700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.099700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.099700 (E_RNA) where: Base-Base interactions energy: -1228.533 where: short stacking energy: -571.674 Base-Backbone interact. energy: -3.367 local terms energy: -490.199948 where: bonds (distance) C4'-P energy: -95.209 bonds (distance) P-C4' energy: -81.242 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -69.338 tors. eta vs tors. theta energy: -146.688 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: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1632.198411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.198411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.198411 (E_RNA) where: Base-Base interactions energy: -1185.786 where: short stacking energy: -520.252 Base-Backbone interact. energy: -0.780 local terms energy: -445.632865 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -83.043 flat angles C4'-P-C4' energy: -92.590 flat angles P-C4'-P energy: -52.979 tors. eta vs tors. theta energy: -137.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1577.903027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.903027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.903027 (E_RNA) where: Base-Base interactions energy: -1134.789 where: short stacking energy: -501.609 Base-Backbone interact. energy: -3.227 local terms energy: -439.887055 where: bonds (distance) C4'-P energy: -69.345 bonds (distance) P-C4' energy: -78.516 flat angles C4'-P-C4' energy: -93.877 flat angles P-C4'-P energy: -68.129 tors. eta vs tors. theta energy: -130.020 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: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1476.056345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.056345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.056345 (E_RNA) where: Base-Base interactions energy: -1036.969 where: short stacking energy: -468.276 Base-Backbone interact. energy: -0.311 local terms energy: -438.775941 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -84.595 flat angles C4'-P-C4' energy: -91.780 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -122.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1284.296617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.296617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.296617 (E_RNA) where: Base-Base interactions energy: -922.219 where: short stacking energy: -415.422 Base-Backbone interact. energy: -4.262 local terms energy: -357.815861 where: bonds (distance) C4'-P energy: -74.056 bonds (distance) P-C4' energy: -51.855 flat angles C4'-P-C4' energy: -78.874 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: -103.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1120.721775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.721775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.721775 (E_RNA) where: Base-Base interactions energy: -760.033 where: short stacking energy: -343.137 Base-Backbone interact. energy: -2.596 local terms energy: -358.092425 where: bonds (distance) C4'-P energy: -62.020 bonds (distance) P-C4' energy: -84.601 flat angles C4'-P-C4' energy: -81.836 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -78.447 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: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1907.823758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.823758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.823758 (E_RNA) where: Base-Base interactions energy: -1375.185 where: short stacking energy: -615.524 Base-Backbone interact. energy: -2.358 local terms energy: -530.280376 where: bonds (distance) C4'-P energy: -97.184 bonds (distance) P-C4' energy: -94.024 flat angles C4'-P-C4' energy: -112.703 flat angles P-C4'-P energy: -64.549 tors. eta vs tors. theta energy: -161.820 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: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1899.010499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.010499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.010499 (E_RNA) where: Base-Base interactions energy: -1357.841 where: short stacking energy: -629.192 Base-Backbone interact. energy: -0.653 local terms energy: -540.516740 where: bonds (distance) C4'-P energy: -92.019 bonds (distance) P-C4' energy: -99.640 flat angles C4'-P-C4' energy: -112.834 flat angles P-C4'-P energy: -75.377 tors. eta vs tors. theta energy: -160.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1811.222036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.222036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.222036 (E_RNA) where: Base-Base interactions energy: -1296.788 where: short stacking energy: -591.501 Base-Backbone interact. energy: 0.849 local terms energy: -515.283293 where: bonds (distance) C4'-P energy: -88.881 bonds (distance) P-C4' energy: -87.854 flat angles C4'-P-C4' energy: -104.359 flat angles P-C4'-P energy: -71.079 tors. eta vs tors. theta energy: -163.110 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: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1739.878730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.878730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.878730 (E_RNA) where: Base-Base interactions energy: -1251.723 where: short stacking energy: -546.935 Base-Backbone interact. energy: -0.388 local terms energy: -487.766891 where: bonds (distance) C4'-P energy: -84.130 bonds (distance) P-C4' energy: -84.929 flat angles C4'-P-C4' energy: -114.738 flat angles P-C4'-P energy: -64.371 tors. eta vs tors. theta energy: -139.598 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: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1688.674335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.674335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.674335 (E_RNA) where: Base-Base interactions energy: -1220.846 where: short stacking energy: -561.902 Base-Backbone interact. energy: -0.433 local terms energy: -467.395821 where: bonds (distance) C4'-P energy: -74.140 bonds (distance) P-C4' energy: -84.520 flat angles C4'-P-C4' energy: -105.498 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -151.584 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: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1652.148449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.148449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.148449 (E_RNA) where: Base-Base interactions energy: -1176.821 where: short stacking energy: -528.825 Base-Backbone interact. energy: -2.414 local terms energy: -472.913266 where: bonds (distance) C4'-P energy: -85.148 bonds (distance) P-C4' energy: -74.547 flat angles C4'-P-C4' energy: -102.925 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -150.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1616.907463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.907463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.907463 (E_RNA) where: Base-Base interactions energy: -1191.203 where: short stacking energy: -536.146 Base-Backbone interact. energy: -1.762 local terms energy: -423.943258 where: bonds (distance) C4'-P energy: -81.692 bonds (distance) P-C4' energy: -58.542 flat angles C4'-P-C4' energy: -90.085 flat angles P-C4'-P energy: -54.827 tors. eta vs tors. theta energy: -138.798 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1466.373080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.373080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.373080 (E_RNA) where: Base-Base interactions energy: -1019.349 where: short stacking energy: -466.226 Base-Backbone interact. energy: -1.102 local terms energy: -445.922162 where: bonds (distance) C4'-P energy: -82.534 bonds (distance) P-C4' energy: -84.446 flat angles C4'-P-C4' energy: -92.346 flat angles P-C4'-P energy: -58.016 tors. eta vs tors. theta energy: -128.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1189.694708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.694708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.694708 (E_RNA) where: Base-Base interactions energy: -816.183 where: short stacking energy: -400.493 Base-Backbone interact. energy: -3.033 local terms energy: -370.478744 where: bonds (distance) C4'-P energy: -62.830 bonds (distance) P-C4' energy: -72.305 flat angles C4'-P-C4' energy: -88.035 flat angles P-C4'-P energy: -53.091 tors. eta vs tors. theta energy: -94.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1184.017201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.017201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.017201 (E_RNA) where: Base-Base interactions energy: -816.879 where: short stacking energy: -378.692 Base-Backbone interact. energy: -1.645 local terms energy: -365.493057 where: bonds (distance) C4'-P energy: -68.265 bonds (distance) P-C4' energy: -64.949 flat angles C4'-P-C4' energy: -78.513 flat angles P-C4'-P energy: -60.224 tors. eta vs tors. theta energy: -93.542 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: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1897.704763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.704763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.704763 (E_RNA) where: Base-Base interactions energy: -1354.760 where: short stacking energy: -620.936 Base-Backbone interact. energy: -1.589 local terms energy: -541.355235 where: bonds (distance) C4'-P energy: -94.894 bonds (distance) P-C4' energy: -92.401 flat angles C4'-P-C4' energy: -113.727 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -165.506 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: 133 Temperature: 0.950000 Total energy: -1907.252337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.252337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.252337 (E_RNA) where: Base-Base interactions energy: -1360.708 where: short stacking energy: -625.035 Base-Backbone interact. energy: -0.849 local terms energy: -545.695976 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -95.114 flat angles C4'-P-C4' energy: -113.382 flat angles P-C4'-P energy: -76.580 tors. eta vs tors. theta energy: -169.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1826.913782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.913782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.913782 (E_RNA) where: Base-Base interactions energy: -1298.369 where: short stacking energy: -611.498 Base-Backbone interact. energy: -2.252 local terms energy: -526.292718 where: bonds (distance) C4'-P energy: -88.218 bonds (distance) P-C4' energy: -91.919 flat angles C4'-P-C4' energy: -110.478 flat angles P-C4'-P energy: -76.320 tors. eta vs tors. theta energy: -159.357 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: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1736.762790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.762790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.762790 (E_RNA) where: Base-Base interactions energy: -1249.416 where: short stacking energy: -557.311 Base-Backbone interact. energy: 0.002 local terms energy: -487.348845 where: bonds (distance) C4'-P energy: -80.672 bonds (distance) P-C4' energy: -99.343 flat angles C4'-P-C4' energy: -100.746 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: -147.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1730.038634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.038634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.038634 (E_RNA) where: Base-Base interactions energy: -1231.471 where: short stacking energy: -576.286 Base-Backbone interact. energy: -2.511 local terms energy: -496.056736 where: bonds (distance) C4'-P energy: -83.440 bonds (distance) P-C4' energy: -82.197 flat angles C4'-P-C4' energy: -102.595 flat angles P-C4'-P energy: -79.602 tors. eta vs tors. theta energy: -148.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1648.315390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.315390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.315390 (E_RNA) where: Base-Base interactions energy: -1171.599 where: short stacking energy: -525.221 Base-Backbone interact. energy: -0.487 local terms energy: -476.229377 where: bonds (distance) C4'-P energy: -81.656 bonds (distance) P-C4' energy: -80.106 flat angles C4'-P-C4' energy: -105.837 flat angles P-C4'-P energy: -66.229 tors. eta vs tors. theta energy: -142.402 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: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1636.605355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.605355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.605355 (E_RNA) where: Base-Base interactions energy: -1181.669 where: short stacking energy: -511.577 Base-Backbone interact. energy: -0.989 local terms energy: -453.947174 where: bonds (distance) C4'-P energy: -70.249 bonds (distance) P-C4' energy: -90.549 flat angles C4'-P-C4' energy: -99.245 flat angles P-C4'-P energy: -53.681 tors. eta vs tors. theta energy: -140.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1430.385576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.385576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.385576 (E_RNA) where: Base-Base interactions energy: -1028.790 where: short stacking energy: -442.883 Base-Backbone interact. energy: 1.197 local terms energy: -402.793169 where: bonds (distance) C4'-P energy: -94.816 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -89.900 flat angles P-C4'-P energy: -46.529 tors. eta vs tors. theta energy: -108.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1227.187247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.187247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.187247 (E_RNA) where: Base-Base interactions energy: -819.393 where: short stacking energy: -386.729 Base-Backbone interact. energy: -1.881 local terms energy: -405.913041 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -87.166 flat angles C4'-P-C4' energy: -83.716 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -89.834 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: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1182.870615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.870615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.870615 (E_RNA) where: Base-Base interactions energy: -827.057 where: short stacking energy: -392.256 Base-Backbone interact. energy: 1.394 local terms energy: -357.207989 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -65.490 flat angles C4'-P-C4' energy: -79.934 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -87.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1948.491637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.491637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.491637 (E_RNA) where: Base-Base interactions energy: -1392.371 where: short stacking energy: -643.095 Base-Backbone interact. energy: 0.537 local terms energy: -556.658036 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -95.055 flat angles C4'-P-C4' energy: -111.362 flat angles P-C4'-P energy: -75.269 tors. eta vs tors. theta energy: -173.381 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: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1872.591740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.591740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.591740 (E_RNA) where: Base-Base interactions energy: -1346.527 where: short stacking energy: -600.565 Base-Backbone interact. energy: 1.012 local terms energy: -527.076332 where: bonds (distance) C4'-P energy: -89.326 bonds (distance) P-C4' energy: -93.051 flat angles C4'-P-C4' energy: -111.498 flat angles P-C4'-P energy: -72.604 tors. eta vs tors. theta energy: -160.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1828.387419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.387419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.387419 (E_RNA) where: Base-Base interactions energy: -1294.363 where: short stacking energy: -594.185 Base-Backbone interact. energy: -2.720 local terms energy: -531.303730 where: bonds (distance) C4'-P energy: -90.840 bonds (distance) P-C4' energy: -78.452 flat angles C4'-P-C4' energy: -112.897 flat angles P-C4'-P energy: -82.176 tors. eta vs tors. theta energy: -166.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1728.103891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.103891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.103891 (E_RNA) where: Base-Base interactions energy: -1247.049 where: short stacking energy: -539.216 Base-Backbone interact. energy: 5.113 local terms energy: -486.167631 where: bonds (distance) C4'-P energy: -91.506 bonds (distance) P-C4' energy: -84.165 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -66.988 tors. eta vs tors. theta energy: -145.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1691.321651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.321651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.321651 (E_RNA) where: Base-Base interactions energy: -1199.513 where: short stacking energy: -548.029 Base-Backbone interact. energy: -2.707 local terms energy: -489.101738 where: bonds (distance) C4'-P energy: -89.677 bonds (distance) P-C4' energy: -86.559 flat angles C4'-P-C4' energy: -95.724 flat angles P-C4'-P energy: -70.787 tors. eta vs tors. theta energy: -146.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1627.521966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.521966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.521966 (E_RNA) where: Base-Base interactions energy: -1177.366 where: short stacking energy: -527.195 Base-Backbone interact. energy: -0.375 local terms energy: -449.781269 where: bonds (distance) C4'-P energy: -70.562 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -99.416 flat angles P-C4'-P energy: -67.663 tors. eta vs tors. theta energy: -136.696 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: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1607.962852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.962852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.962852 (E_RNA) where: Base-Base interactions energy: -1149.994 where: short stacking energy: -527.957 Base-Backbone interact. energy: 0.891 local terms energy: -458.860078 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -93.061 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -60.514 tors. eta vs tors. theta energy: -136.109 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: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1415.495538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.495538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.495538 (E_RNA) where: Base-Base interactions energy: -995.378 where: short stacking energy: -456.738 Base-Backbone interact. energy: -0.989 local terms energy: -419.128537 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -85.416 flat angles C4'-P-C4' energy: -92.983 flat angles P-C4'-P energy: -56.963 tors. eta vs tors. theta energy: -116.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1264.315197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.315197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.315197 (E_RNA) where: Base-Base interactions energy: -861.910 where: short stacking energy: -404.418 Base-Backbone interact. energy: 0.218 local terms energy: -402.623100 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -88.059 flat angles C4'-P-C4' energy: -87.965 flat angles P-C4'-P energy: -52.712 tors. eta vs tors. theta energy: -102.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1281.998894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.998894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.998894 (E_RNA) where: Base-Base interactions energy: -892.144 where: short stacking energy: -396.483 Base-Backbone interact. energy: -2.544 local terms energy: -387.310802 where: bonds (distance) C4'-P energy: -78.650 bonds (distance) P-C4' energy: -74.202 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -104.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1933.042940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.042940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.042940 (E_RNA) where: Base-Base interactions energy: -1379.959 where: short stacking energy: -642.015 Base-Backbone interact. energy: -1.252 local terms energy: -551.832804 where: bonds (distance) C4'-P energy: -93.670 bonds (distance) P-C4' energy: -97.290 flat angles C4'-P-C4' energy: -119.695 flat angles P-C4'-P energy: -73.142 tors. eta vs tors. theta energy: -168.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1864.253603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.253603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.253603 (E_RNA) where: Base-Base interactions energy: -1340.962 where: short stacking energy: -607.434 Base-Backbone interact. energy: -2.157 local terms energy: -521.134993 where: bonds (distance) C4'-P energy: -91.895 bonds (distance) P-C4' energy: -99.413 flat angles C4'-P-C4' energy: -100.162 flat angles P-C4'-P energy: -71.375 tors. eta vs tors. theta energy: -158.291 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: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1813.769723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.769723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.769723 (E_RNA) where: Base-Base interactions energy: -1294.986 where: short stacking energy: -589.147 Base-Backbone interact. energy: -1.262 local terms energy: -517.521662 where: bonds (distance) C4'-P energy: -82.515 bonds (distance) P-C4' energy: -94.009 flat angles C4'-P-C4' energy: -103.851 flat angles P-C4'-P energy: -79.496 tors. eta vs tors. theta energy: -157.651 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: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1750.449208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.449208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.449208 (E_RNA) where: Base-Base interactions energy: -1253.284 where: short stacking energy: -568.360 Base-Backbone interact. energy: -3.093 local terms energy: -494.072219 where: bonds (distance) C4'-P energy: -95.380 bonds (distance) P-C4' energy: -83.525 flat angles C4'-P-C4' energy: -101.932 flat angles P-C4'-P energy: -66.470 tors. eta vs tors. theta energy: -146.766 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: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1700.660956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.660956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.660956 (E_RNA) where: Base-Base interactions energy: -1220.314 where: short stacking energy: -568.680 Base-Backbone interact. energy: -3.162 local terms energy: -477.184561 where: bonds (distance) C4'-P energy: -83.096 bonds (distance) P-C4' energy: -83.552 flat angles C4'-P-C4' energy: -91.493 flat angles P-C4'-P energy: -66.584 tors. eta vs tors. theta energy: -152.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1652.699637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.699637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.699637 (E_RNA) where: Base-Base interactions energy: -1174.075 where: short stacking energy: -520.584 Base-Backbone interact. energy: -2.237 local terms energy: -476.387812 where: bonds (distance) C4'-P energy: -77.605 bonds (distance) P-C4' energy: -91.892 flat angles C4'-P-C4' energy: -104.006 flat angles P-C4'-P energy: -68.296 tors. eta vs tors. theta energy: -134.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1605.533319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.533319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.533319 (E_RNA) where: Base-Base interactions energy: -1149.342 where: short stacking energy: -507.896 Base-Backbone interact. energy: -1.831 local terms energy: -454.360287 where: bonds (distance) C4'-P energy: -81.328 bonds (distance) P-C4' energy: -91.249 flat angles C4'-P-C4' energy: -87.725 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -136.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1381.328839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.328839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.328839 (E_RNA) where: Base-Base interactions energy: -991.779 where: short stacking energy: -468.156 Base-Backbone interact. energy: 0.102 local terms energy: -389.651758 where: bonds (distance) C4'-P energy: -68.570 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -83.840 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -105.807 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: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1316.588377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.588377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.588377 (E_RNA) where: Base-Base interactions energy: -923.745 where: short stacking energy: -440.460 Base-Backbone interact. energy: -1.115 local terms energy: -391.727727 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -97.099 flat angles P-C4'-P energy: -50.406 tors. eta vs tors. theta energy: -115.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1228.824222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.824222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.824222 (E_RNA) where: Base-Base interactions energy: -870.023 where: short stacking energy: -380.342 Base-Backbone interact. energy: 0.562 local terms energy: -359.363036 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -75.198 flat angles C4'-P-C4' energy: -75.210 flat angles P-C4'-P energy: -51.838 tors. eta vs tors. theta energy: -90.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1932.741205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.741205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.741205 (E_RNA) where: Base-Base interactions energy: -1379.387 where: short stacking energy: -638.955 Base-Backbone interact. energy: -1.847 local terms energy: -551.507392 where: bonds (distance) C4'-P energy: -96.255 bonds (distance) P-C4' energy: -92.803 flat angles C4'-P-C4' energy: -113.486 flat angles P-C4'-P energy: -81.444 tors. eta vs tors. theta energy: -167.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1881.085185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.085185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.085185 (E_RNA) where: Base-Base interactions energy: -1361.581 where: short stacking energy: -625.189 Base-Backbone interact. energy: -0.643 local terms energy: -518.861655 where: bonds (distance) C4'-P energy: -86.560 bonds (distance) P-C4' energy: -86.080 flat angles C4'-P-C4' energy: -112.190 flat angles P-C4'-P energy: -69.857 tors. eta vs tors. theta energy: -164.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1835.288359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.288359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.288359 (E_RNA) where: Base-Base interactions energy: -1299.463 where: short stacking energy: -601.080 Base-Backbone interact. energy: -2.753 local terms energy: -533.072075 where: bonds (distance) C4'-P energy: -91.541 bonds (distance) P-C4' energy: -97.648 flat angles C4'-P-C4' energy: -109.349 flat angles P-C4'-P energy: -69.417 tors. eta vs tors. theta energy: -165.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1738.610078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.610078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.610078 (E_RNA) where: Base-Base interactions energy: -1234.910 where: short stacking energy: -534.455 Base-Backbone interact. energy: -0.305 local terms energy: -503.394663 where: bonds (distance) C4'-P energy: -103.986 bonds (distance) P-C4' energy: -85.597 flat angles C4'-P-C4' energy: -107.676 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -148.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1673.113175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.113175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.113175 (E_RNA) where: Base-Base interactions energy: -1200.054 where: short stacking energy: -548.887 Base-Backbone interact. energy: 0.412 local terms energy: -473.471102 where: bonds (distance) C4'-P energy: -82.843 bonds (distance) P-C4' energy: -80.919 flat angles C4'-P-C4' energy: -103.399 flat angles P-C4'-P energy: -65.418 tors. eta vs tors. theta energy: -140.891 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: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1667.908963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.908963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.908963 (E_RNA) where: Base-Base interactions energy: -1218.933 where: short stacking energy: -553.712 Base-Backbone interact. energy: 2.233 local terms energy: -451.208928 where: bonds (distance) C4'-P energy: -80.113 bonds (distance) P-C4' energy: -82.783 flat angles C4'-P-C4' energy: -89.105 flat angles P-C4'-P energy: -58.726 tors. eta vs tors. theta energy: -140.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1573.470675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.470675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.470675 (E_RNA) where: Base-Base interactions energy: -1126.777 where: short stacking energy: -507.423 Base-Backbone interact. energy: -3.551 local terms energy: -443.142079 where: bonds (distance) C4'-P energy: -72.247 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -103.348 flat angles P-C4'-P energy: -61.716 tors. eta vs tors. theta energy: -129.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1420.393687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.393687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.393687 (E_RNA) where: Base-Base interactions energy: -1008.827 where: short stacking energy: -452.786 Base-Backbone interact. energy: -2.751 local terms energy: -408.816099 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -75.781 flat angles C4'-P-C4' energy: -98.525 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -114.195 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: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1293.893179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.893179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.893179 (E_RNA) where: Base-Base interactions energy: -924.870 where: short stacking energy: -437.228 Base-Backbone interact. energy: 2.010 local terms energy: -371.033345 where: bonds (distance) C4'-P energy: -54.526 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -96.455 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -100.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1230.544315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.544315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.544315 (E_RNA) where: Base-Base interactions energy: -855.262 where: short stacking energy: -386.465 Base-Backbone interact. energy: -2.942 local terms energy: -372.340564 where: bonds (distance) C4'-P energy: -71.914 bonds (distance) P-C4' energy: -81.917 flat angles C4'-P-C4' energy: -88.281 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -88.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1923.002806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.002806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.002806 (E_RNA) where: Base-Base interactions energy: -1368.074 where: short stacking energy: -619.986 Base-Backbone interact. energy: -2.511 local terms energy: -552.417761 where: bonds (distance) C4'-P energy: -90.201 bonds (distance) P-C4' energy: -96.073 flat angles C4'-P-C4' energy: -116.843 flat angles P-C4'-P energy: -77.575 tors. eta vs tors. theta energy: -171.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1862.337712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.337712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.337712 (E_RNA) where: Base-Base interactions energy: -1305.956 where: short stacking energy: -603.786 Base-Backbone interact. energy: -2.870 local terms energy: -553.511571 where: bonds (distance) C4'-P energy: -97.399 bonds (distance) P-C4' energy: -91.943 flat angles C4'-P-C4' energy: -121.750 flat angles P-C4'-P energy: -78.017 tors. eta vs tors. theta energy: -164.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1840.584880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.584880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.584880 (E_RNA) where: Base-Base interactions energy: -1315.538 where: short stacking energy: -621.156 Base-Backbone interact. energy: -1.472 local terms energy: -523.574309 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -108.820 flat angles P-C4'-P energy: -80.549 tors. eta vs tors. theta energy: -160.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1780.401211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.401211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.401211 (E_RNA) where: Base-Base interactions energy: -1266.821 where: short stacking energy: -579.332 Base-Backbone interact. energy: -0.245 local terms energy: -513.334789 where: bonds (distance) C4'-P energy: -92.267 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -101.811 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -150.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1675.292504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.292504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.292504 (E_RNA) where: Base-Base interactions energy: -1201.531 where: short stacking energy: -553.202 Base-Backbone interact. energy: 5.131 local terms energy: -478.892468 where: bonds (distance) C4'-P energy: -86.619 bonds (distance) P-C4' energy: -82.926 flat angles C4'-P-C4' energy: -99.952 flat angles P-C4'-P energy: -61.521 tors. eta vs tors. theta energy: -147.874 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: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1671.514799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.514799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.514799 (E_RNA) where: Base-Base interactions energy: -1199.232 where: short stacking energy: -546.755 Base-Backbone interact. energy: -1.116 local terms energy: -471.167225 where: bonds (distance) C4'-P energy: -84.236 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -91.804 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: -137.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1579.459928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.459928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.459928 (E_RNA) where: Base-Base interactions energy: -1127.315 where: short stacking energy: -496.453 Base-Backbone interact. energy: -2.466 local terms energy: -449.679397 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -78.024 flat angles C4'-P-C4' energy: -92.077 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -137.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1391.588720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.588720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.588720 (E_RNA) where: Base-Base interactions energy: -956.043 where: short stacking energy: -436.153 Base-Backbone interact. energy: -1.225 local terms energy: -434.320275 where: bonds (distance) C4'-P energy: -75.692 bonds (distance) P-C4' energy: -78.645 flat angles C4'-P-C4' energy: -97.719 flat angles P-C4'-P energy: -68.744 tors. eta vs tors. theta energy: -113.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1335.921380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.921380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.921380 (E_RNA) where: Base-Base interactions energy: -945.703 where: short stacking energy: -416.415 Base-Backbone interact. energy: -2.651 local terms energy: -387.568020 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -64.603 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -108.201 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: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1101.313801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.313801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.313801 (E_RNA) where: Base-Base interactions energy: -757.361 where: short stacking energy: -338.977 Base-Backbone interact. energy: -1.253 local terms energy: -342.699668 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -68.217 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: -75.232 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: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1917.037267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.037267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.037267 (E_RNA) where: Base-Base interactions energy: -1373.466 where: short stacking energy: -668.943 Base-Backbone interact. energy: -2.232 local terms energy: -541.338525 where: bonds (distance) C4'-P energy: -98.308 bonds (distance) P-C4' energy: -92.837 flat angles C4'-P-C4' energy: -109.294 flat angles P-C4'-P energy: -73.855 tors. eta vs tors. theta energy: -167.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1888.491059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.491059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.491059 (E_RNA) where: Base-Base interactions energy: -1361.179 where: short stacking energy: -645.678 Base-Backbone interact. energy: -2.195 local terms energy: -525.117508 where: bonds (distance) C4'-P energy: -92.890 bonds (distance) P-C4' energy: -92.660 flat angles C4'-P-C4' energy: -109.207 flat angles P-C4'-P energy: -65.770 tors. eta vs tors. theta energy: -164.590 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: 138 Temperature: 1.000000 Total energy: -1815.352100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.352100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.352100 (E_RNA) where: Base-Base interactions energy: -1310.553 where: short stacking energy: -588.237 Base-Backbone interact. energy: 0.983 local terms energy: -505.782006 where: bonds (distance) C4'-P energy: -83.125 bonds (distance) P-C4' energy: -91.404 flat angles C4'-P-C4' energy: -106.739 flat angles P-C4'-P energy: -72.406 tors. eta vs tors. theta energy: -152.108 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: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1761.370747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.370747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.370747 (E_RNA) where: Base-Base interactions energy: -1273.849 where: short stacking energy: -568.571 Base-Backbone interact. energy: -1.856 local terms energy: -485.666102 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -89.037 flat angles C4'-P-C4' energy: -105.180 flat angles P-C4'-P energy: -62.802 tors. eta vs tors. theta energy: -150.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1688.803797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.803797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.803797 (E_RNA) where: Base-Base interactions energy: -1205.787 where: short stacking energy: -559.452 Base-Backbone interact. energy: -2.331 local terms energy: -480.685641 where: bonds (distance) C4'-P energy: -87.305 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -94.724 flat angles P-C4'-P energy: -73.142 tors. eta vs tors. theta energy: -149.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1682.729639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.729639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.729639 (E_RNA) where: Base-Base interactions energy: -1200.587 where: short stacking energy: -561.665 Base-Backbone interact. energy: -2.406 local terms energy: -479.736784 where: bonds (distance) C4'-P energy: -69.627 bonds (distance) P-C4' energy: -93.408 flat angles C4'-P-C4' energy: -107.377 flat angles P-C4'-P energy: -57.910 tors. eta vs tors. theta energy: -151.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1590.197576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.197576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.197576 (E_RNA) where: Base-Base interactions energy: -1127.886 where: short stacking energy: -516.955 Base-Backbone interact. energy: -2.205 local terms energy: -460.105934 where: bonds (distance) C4'-P energy: -76.492 bonds (distance) P-C4' energy: -85.112 flat angles C4'-P-C4' energy: -100.002 flat angles P-C4'-P energy: -56.477 tors. eta vs tors. theta energy: -142.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1374.230898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.230898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.230898 (E_RNA) where: Base-Base interactions energy: -939.599 where: short stacking energy: -451.131 Base-Backbone interact. energy: 6.979 local terms energy: -441.611161 where: bonds (distance) C4'-P energy: -84.699 bonds (distance) P-C4' energy: -80.391 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -54.716 tors. eta vs tors. theta energy: -117.559 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: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1308.136335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.136335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.136335 (E_RNA) where: Base-Base interactions energy: -898.295 where: short stacking energy: -452.255 Base-Backbone interact. energy: -1.647 local terms energy: -408.194991 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -86.723 flat angles C4'-P-C4' energy: -90.603 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -108.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1171.330186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.330186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.330186 (E_RNA) where: Base-Base interactions energy: -798.178 where: short stacking energy: -372.304 Base-Backbone interact. energy: -0.917 local terms energy: -372.235227 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -82.181 flat angles C4'-P-C4' energy: -84.046 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -87.641 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: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1935.032164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.032164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.032164 (E_RNA) where: Base-Base interactions energy: -1391.588 where: short stacking energy: -639.435 Base-Backbone interact. energy: -2.684 local terms energy: -540.759579 where: bonds (distance) C4'-P energy: -92.106 bonds (distance) P-C4' energy: -99.990 flat angles C4'-P-C4' energy: -112.634 flat angles P-C4'-P energy: -69.595 tors. eta vs tors. theta energy: -166.435 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: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1859.163162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.163162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.163162 (E_RNA) where: Base-Base interactions energy: -1319.611 where: short stacking energy: -599.122 Base-Backbone interact. energy: -0.799 local terms energy: -538.753828 where: bonds (distance) C4'-P energy: -87.863 bonds (distance) P-C4' energy: -94.290 flat angles C4'-P-C4' energy: -116.129 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -164.422 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: 139 Temperature: 1.000000 Total energy: -1837.212770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.212770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.212770 (E_RNA) where: Base-Base interactions energy: -1318.667 where: short stacking energy: -599.268 Base-Backbone interact. energy: -0.777 local terms energy: -517.769013 where: bonds (distance) C4'-P energy: -82.832 bonds (distance) P-C4' energy: -95.249 flat angles C4'-P-C4' energy: -109.939 flat angles P-C4'-P energy: -76.435 tors. eta vs tors. theta energy: -153.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1764.925004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.925004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.925004 (E_RNA) where: Base-Base interactions energy: -1261.097 where: short stacking energy: -550.832 Base-Backbone interact. energy: -0.288 local terms energy: -503.540003 where: bonds (distance) C4'-P energy: -91.502 bonds (distance) P-C4' energy: -95.688 flat angles C4'-P-C4' energy: -99.111 flat angles P-C4'-P energy: -68.336 tors. eta vs tors. theta energy: -148.903 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: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1656.549981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.549981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.549981 (E_RNA) where: Base-Base interactions energy: -1175.903 where: short stacking energy: -548.461 Base-Backbone interact. energy: -1.019 local terms energy: -479.628608 where: bonds (distance) C4'-P energy: -84.896 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -99.379 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -142.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1663.311767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.311767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.311767 (E_RNA) where: Base-Base interactions energy: -1202.148 where: short stacking energy: -547.605 Base-Backbone interact. energy: -2.193 local terms energy: -458.970161 where: bonds (distance) C4'-P energy: -75.901 bonds (distance) P-C4' energy: -74.948 flat angles C4'-P-C4' energy: -108.020 flat angles P-C4'-P energy: -58.294 tors. eta vs tors. theta energy: -141.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1595.468401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.468401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.468401 (E_RNA) where: Base-Base interactions energy: -1144.687 where: short stacking energy: -518.320 Base-Backbone interact. energy: -0.437 local terms energy: -450.344249 where: bonds (distance) C4'-P energy: -81.792 bonds (distance) P-C4' energy: -88.726 flat angles C4'-P-C4' energy: -92.148 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -133.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1362.033829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.033829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.033829 (E_RNA) where: Base-Base interactions energy: -976.201 where: short stacking energy: -447.916 Base-Backbone interact. energy: -1.072 local terms energy: -384.761423 where: bonds (distance) C4'-P energy: -79.456 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -98.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1322.002791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.002791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.002791 (E_RNA) where: Base-Base interactions energy: -925.092 where: short stacking energy: -420.791 Base-Backbone interact. energy: -2.420 local terms energy: -394.490992 where: bonds (distance) C4'-P energy: -55.067 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -89.997 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -109.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1143.248269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.248269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.248269 (E_RNA) where: Base-Base interactions energy: -798.532 where: short stacking energy: -366.853 Base-Backbone interact. energy: -1.322 local terms energy: -343.394815 where: bonds (distance) C4'-P energy: -59.067 bonds (distance) P-C4' energy: -77.538 flat angles C4'-P-C4' energy: -83.279 flat angles P-C4'-P energy: -45.195 tors. eta vs tors. theta energy: -78.315 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: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1934.012561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.012561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.012561 (E_RNA) where: Base-Base interactions energy: -1394.829 where: short stacking energy: -628.317 Base-Backbone interact. energy: -0.531 local terms energy: -538.653013 where: bonds (distance) C4'-P energy: -89.287 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -112.873 flat angles P-C4'-P energy: -70.098 tors. eta vs tors. theta energy: -168.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1868.367250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.367250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.367250 (E_RNA) where: Base-Base interactions energy: -1330.846 where: short stacking energy: -636.292 Base-Backbone interact. energy: -1.092 local terms energy: -536.429352 where: bonds (distance) C4'-P energy: -98.166 bonds (distance) P-C4' energy: -97.780 flat angles C4'-P-C4' energy: -106.978 flat angles P-C4'-P energy: -71.171 tors. eta vs tors. theta energy: -162.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1837.837758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.837758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.837758 (E_RNA) where: Base-Base interactions energy: -1329.875 where: short stacking energy: -593.428 Base-Backbone interact. energy: -3.876 local terms energy: -504.087051 where: bonds (distance) C4'-P energy: -76.381 bonds (distance) P-C4' energy: -84.862 flat angles C4'-P-C4' energy: -105.804 flat angles P-C4'-P energy: -76.567 tors. eta vs tors. theta energy: -160.474 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: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1751.503168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.503168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.503168 (E_RNA) where: Base-Base interactions energy: -1254.783 where: short stacking energy: -569.748 Base-Backbone interact. energy: -3.587 local terms energy: -493.133015 where: bonds (distance) C4'-P energy: -76.206 bonds (distance) P-C4' energy: -74.755 flat angles C4'-P-C4' energy: -110.299 flat angles P-C4'-P energy: -80.639 tors. eta vs tors. theta energy: -151.234 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: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1710.998687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.998687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.998687 (E_RNA) where: Base-Base interactions energy: -1219.061 where: short stacking energy: -541.625 Base-Backbone interact. energy: 0.075 local terms energy: -492.012795 where: bonds (distance) C4'-P energy: -82.565 bonds (distance) P-C4' energy: -93.231 flat angles C4'-P-C4' energy: -103.144 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -143.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1611.751136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.751136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.751136 (E_RNA) where: Base-Base interactions energy: -1122.342 where: short stacking energy: -526.748 Base-Backbone interact. energy: 0.585 local terms energy: -489.994123 where: bonds (distance) C4'-P energy: -83.175 bonds (distance) P-C4' energy: -87.310 flat angles C4'-P-C4' energy: -110.895 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -147.012 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: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1569.353558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.353558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.353558 (E_RNA) where: Base-Base interactions energy: -1145.090 where: short stacking energy: -511.978 Base-Backbone interact. energy: -0.964 local terms energy: -423.299649 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -79.666 flat angles C4'-P-C4' energy: -94.026 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -135.845 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: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1331.247345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.247345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.247345 (E_RNA) where: Base-Base interactions energy: -935.125 where: short stacking energy: -476.132 Base-Backbone interact. energy: 0.232 local terms energy: -396.353654 where: bonds (distance) C4'-P energy: -65.892 bonds (distance) P-C4' energy: -89.853 flat angles C4'-P-C4' energy: -86.297 flat angles P-C4'-P energy: -37.690 tors. eta vs tors. theta energy: -116.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1327.966867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.966867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.966867 (E_RNA) where: Base-Base interactions energy: -936.056 where: short stacking energy: -431.800 Base-Backbone interact. energy: 3.783 local terms energy: -395.693825 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -81.038 flat angles C4'-P-C4' energy: -88.242 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -99.834 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: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1184.806344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.806344 (E_RNA) where: Base-Base interactions energy: -826.864 where: short stacking energy: -402.735 Base-Backbone interact. energy: -1.816 local terms energy: -356.126102 where: bonds (distance) C4'-P energy: -50.745 bonds (distance) P-C4' energy: -86.552 flat angles C4'-P-C4' energy: -76.048 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: -93.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1941.206670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.206670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.206670 (E_RNA) where: Base-Base interactions energy: -1393.633 where: short stacking energy: -655.193 Base-Backbone interact. energy: -0.531 local terms energy: -547.042572 where: bonds (distance) C4'-P energy: -93.291 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -114.621 flat angles P-C4'-P energy: -75.283 tors. eta vs tors. theta energy: -174.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1861.327986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.327986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.327986 (E_RNA) where: Base-Base interactions energy: -1335.859 where: short stacking energy: -609.030 Base-Backbone interact. energy: -0.609 local terms energy: -524.859784 where: bonds (distance) C4'-P energy: -86.480 bonds (distance) P-C4' energy: -94.601 flat angles C4'-P-C4' energy: -103.442 flat angles P-C4'-P energy: -78.096 tors. eta vs tors. theta energy: -162.241 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: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1831.774490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.774490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.774490 (E_RNA) where: Base-Base interactions energy: -1314.216 where: short stacking energy: -604.817 Base-Backbone interact. energy: -1.333 local terms energy: -516.225474 where: bonds (distance) C4'-P energy: -87.243 bonds (distance) P-C4' energy: -89.271 flat angles C4'-P-C4' energy: -112.822 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -162.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1770.462522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.462522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.462522 (E_RNA) where: Base-Base interactions energy: -1279.101 where: short stacking energy: -555.749 Base-Backbone interact. energy: -3.197 local terms energy: -488.165032 where: bonds (distance) C4'-P energy: -74.573 bonds (distance) P-C4' energy: -89.084 flat angles C4'-P-C4' energy: -110.171 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -150.759 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: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1702.007124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.007124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.007124 (E_RNA) where: Base-Base interactions energy: -1215.691 where: short stacking energy: -571.089 Base-Backbone interact. energy: 0.176 local terms energy: -486.491830 where: bonds (distance) C4'-P energy: -86.547 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -101.326 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: -144.949 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: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1593.285862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.285862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.285862 (E_RNA) where: Base-Base interactions energy: -1130.949 where: short stacking energy: -531.106 Base-Backbone interact. energy: -1.018 local terms energy: -461.318780 where: bonds (distance) C4'-P energy: -74.708 bonds (distance) P-C4' energy: -79.445 flat angles C4'-P-C4' energy: -101.074 flat angles P-C4'-P energy: -60.563 tors. eta vs tors. theta energy: -145.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1541.493564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.493564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.493564 (E_RNA) where: Base-Base interactions energy: -1112.219 where: short stacking energy: -488.613 Base-Backbone interact. energy: 8.097 local terms energy: -437.371183 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -74.667 flat angles C4'-P-C4' energy: -97.134 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -131.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1384.628196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.628196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.628196 (E_RNA) where: Base-Base interactions energy: -979.069 where: short stacking energy: -457.493 Base-Backbone interact. energy: 2.990 local terms energy: -408.549808 where: bonds (distance) C4'-P energy: -69.969 bonds (distance) P-C4' energy: -87.274 flat angles C4'-P-C4' energy: -85.099 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -112.496 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: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1325.740268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.740268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.740268 (E_RNA) where: Base-Base interactions energy: -927.194 where: short stacking energy: -415.476 Base-Backbone interact. energy: 1.161 local terms energy: -399.707674 where: bonds (distance) C4'-P energy: -87.988 bonds (distance) P-C4' energy: -81.792 flat angles C4'-P-C4' energy: -76.614 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: -112.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1216.636030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.636030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.636030 (E_RNA) where: Base-Base interactions energy: -844.607 where: short stacking energy: -388.813 Base-Backbone interact. energy: -1.547 local terms energy: -370.482067 where: bonds (distance) C4'-P energy: -68.221 bonds (distance) P-C4' energy: -83.678 flat angles C4'-P-C4' energy: -86.926 flat angles P-C4'-P energy: -36.978 tors. eta vs tors. theta energy: -94.680 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: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1953.372882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.372882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.372882 (E_RNA) where: Base-Base interactions energy: -1393.276 where: short stacking energy: -639.400 Base-Backbone interact. energy: -4.164 local terms energy: -555.933009 where: bonds (distance) C4'-P energy: -96.536 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -110.463 flat angles P-C4'-P energy: -77.873 tors. eta vs tors. theta energy: -170.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1863.204564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.204564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.204564 (E_RNA) where: Base-Base interactions energy: -1328.163 where: short stacking energy: -595.528 Base-Backbone interact. energy: 0.175 local terms energy: -535.216174 where: bonds (distance) C4'-P energy: -95.864 bonds (distance) P-C4' energy: -89.286 flat angles C4'-P-C4' energy: -114.479 flat angles P-C4'-P energy: -76.362 tors. eta vs tors. theta energy: -159.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1838.346778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.346778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.346778 (E_RNA) where: Base-Base interactions energy: -1322.457 where: short stacking energy: -605.499 Base-Backbone interact. energy: -3.452 local terms energy: -512.437379 where: bonds (distance) C4'-P energy: -88.724 bonds (distance) P-C4' energy: -92.651 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -160.664 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: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1769.360595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.360595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.360595 (E_RNA) where: Base-Base interactions energy: -1279.802 where: short stacking energy: -570.634 Base-Backbone interact. energy: -1.094 local terms energy: -488.463963 where: bonds (distance) C4'-P energy: -79.137 bonds (distance) P-C4' energy: -77.993 flat angles C4'-P-C4' energy: -107.540 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -150.858 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: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1671.594488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.594488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.594488 (E_RNA) where: Base-Base interactions energy: -1180.006 where: short stacking energy: -548.874 Base-Backbone interact. energy: -2.919 local terms energy: -488.669861 where: bonds (distance) C4'-P energy: -82.667 bonds (distance) P-C4' energy: -78.629 flat angles C4'-P-C4' energy: -104.285 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -152.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1679.486579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.486579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.486579 (E_RNA) where: Base-Base interactions energy: -1200.334 where: short stacking energy: -534.177 Base-Backbone interact. energy: -3.067 local terms energy: -476.085954 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -103.078 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -138.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1521.485247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.485247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.485247 (E_RNA) where: Base-Base interactions energy: -1100.154 where: short stacking energy: -508.542 Base-Backbone interact. energy: -1.177 local terms energy: -420.154656 where: bonds (distance) C4'-P energy: -60.927 bonds (distance) P-C4' energy: -77.959 flat angles C4'-P-C4' energy: -101.658 flat angles P-C4'-P energy: -52.710 tors. eta vs tors. theta energy: -126.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1377.616720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.616720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.616720 (E_RNA) where: Base-Base interactions energy: -976.587 where: short stacking energy: -441.118 Base-Backbone interact. energy: 0.153 local terms energy: -401.182691 where: bonds (distance) C4'-P energy: -61.099 bonds (distance) P-C4' energy: -79.356 flat angles C4'-P-C4' energy: -97.204 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -109.417 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: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1373.361559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.361559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.361559 (E_RNA) where: Base-Base interactions energy: -976.618 where: short stacking energy: -427.023 Base-Backbone interact. energy: -2.017 local terms energy: -394.727142 where: bonds (distance) C4'-P energy: -51.319 bonds (distance) P-C4' energy: -77.386 flat angles C4'-P-C4' energy: -102.897 flat angles P-C4'-P energy: -46.754 tors. eta vs tors. theta energy: -116.371 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: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1148.215459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.215459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.215459 (E_RNA) where: Base-Base interactions energy: -797.052 where: short stacking energy: -373.613 Base-Backbone interact. energy: 1.420 local terms energy: -352.583562 where: bonds (distance) C4'-P energy: -77.462 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -79.933 flat angles P-C4'-P energy: -33.499 tors. eta vs tors. theta energy: -89.638 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: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1935.386925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.386925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.386925 (E_RNA) where: Base-Base interactions energy: -1383.249 where: short stacking energy: -631.762 Base-Backbone interact. energy: -0.747 local terms energy: -551.390882 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -94.411 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -83.876 tors. eta vs tors. theta energy: -168.600 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: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1880.234967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.234967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.234967 (E_RNA) where: Base-Base interactions energy: -1348.372 where: short stacking energy: -612.725 Base-Backbone interact. energy: -1.918 local terms energy: -529.945703 where: bonds (distance) C4'-P energy: -76.833 bonds (distance) P-C4' energy: -94.851 flat angles C4'-P-C4' energy: -114.744 flat angles P-C4'-P energy: -80.103 tors. eta vs tors. theta energy: -163.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1847.338410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.338410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.338410 (E_RNA) where: Base-Base interactions energy: -1297.587 where: short stacking energy: -608.796 Base-Backbone interact. energy: -2.829 local terms energy: -546.923288 where: bonds (distance) C4'-P energy: -101.258 bonds (distance) P-C4' energy: -94.262 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: -161.858 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: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1742.720513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.720513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.720513 (E_RNA) where: Base-Base interactions energy: -1244.738 where: short stacking energy: -557.741 Base-Backbone interact. energy: -1.598 local terms energy: -496.385023 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -100.983 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -154.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1678.039465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.039465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.039465 (E_RNA) where: Base-Base interactions energy: -1190.854 where: short stacking energy: -557.260 Base-Backbone interact. energy: -0.549 local terms energy: -486.635916 where: bonds (distance) C4'-P energy: -86.013 bonds (distance) P-C4' energy: -93.369 flat angles C4'-P-C4' energy: -88.510 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -147.156 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: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1663.904635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.904635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.904635 (E_RNA) where: Base-Base interactions energy: -1200.693 where: short stacking energy: -538.824 Base-Backbone interact. energy: -2.458 local terms energy: -460.753673 where: bonds (distance) C4'-P energy: -70.113 bonds (distance) P-C4' energy: -81.785 flat angles C4'-P-C4' energy: -102.251 flat angles P-C4'-P energy: -59.587 tors. eta vs tors. theta energy: -147.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1521.815161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.815161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.815161 (E_RNA) where: Base-Base interactions energy: -1098.738 where: short stacking energy: -491.337 Base-Backbone interact. energy: -2.088 local terms energy: -420.989719 where: bonds (distance) C4'-P energy: -74.446 bonds (distance) P-C4' energy: -72.041 flat angles C4'-P-C4' energy: -95.542 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -123.931 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1410.861236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.861236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.861236 (E_RNA) where: Base-Base interactions energy: -988.405 where: short stacking energy: -470.726 Base-Backbone interact. energy: -0.277 local terms energy: -422.178682 where: bonds (distance) C4'-P energy: -76.682 bonds (distance) P-C4' energy: -84.476 flat angles C4'-P-C4' energy: -94.798 flat angles P-C4'-P energy: -53.863 tors. eta vs tors. theta energy: -112.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1352.267190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.267190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.267190 (E_RNA) where: Base-Base interactions energy: -952.918 where: short stacking energy: -429.481 Base-Backbone interact. energy: -1.669 local terms energy: -397.679797 where: bonds (distance) C4'-P energy: -71.298 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -96.390 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -105.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1161.529637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.529637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.529637 (E_RNA) where: Base-Base interactions energy: -793.244 where: short stacking energy: -377.412 Base-Backbone interact. energy: -0.005 local terms energy: -368.281431 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -70.590 flat angles C4'-P-C4' energy: -92.817 flat angles P-C4'-P energy: -49.068 tors. eta vs tors. theta energy: -80.984 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: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1931.004221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.004221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.004221 (E_RNA) where: Base-Base interactions energy: -1379.929 where: short stacking energy: -633.816 Base-Backbone interact. energy: -1.243 local terms energy: -549.832032 where: bonds (distance) C4'-P energy: -93.223 bonds (distance) P-C4' energy: -102.387 flat angles C4'-P-C4' energy: -107.954 flat angles P-C4'-P energy: -83.375 tors. eta vs tors. theta energy: -162.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1870.408012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.408012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.408012 (E_RNA) where: Base-Base interactions energy: -1325.018 where: short stacking energy: -604.936 Base-Backbone interact. energy: -0.167 local terms energy: -545.222627 where: bonds (distance) C4'-P energy: -97.241 bonds (distance) P-C4' energy: -92.730 flat angles C4'-P-C4' energy: -117.778 flat angles P-C4'-P energy: -79.989 tors. eta vs tors. theta energy: -157.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1846.607387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.607387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.607387 (E_RNA) where: Base-Base interactions energy: -1315.156 where: short stacking energy: -599.471 Base-Backbone interact. energy: -3.173 local terms energy: -528.278364 where: bonds (distance) C4'-P energy: -87.573 bonds (distance) P-C4' energy: -84.135 flat angles C4'-P-C4' energy: -111.064 flat angles P-C4'-P energy: -82.740 tors. eta vs tors. theta energy: -162.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1738.680832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.680832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.680832 (E_RNA) where: Base-Base interactions energy: -1253.387 where: short stacking energy: -561.761 Base-Backbone interact. energy: -2.048 local terms energy: -483.246479 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -98.231 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -73.938 tors. eta vs tors. theta energy: -143.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1710.547912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.547912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.547912 (E_RNA) where: Base-Base interactions energy: -1224.950 where: short stacking energy: -546.137 Base-Backbone interact. energy: -2.636 local terms energy: -482.961889 where: bonds (distance) C4'-P energy: -84.081 bonds (distance) P-C4' energy: -79.390 flat angles C4'-P-C4' energy: -105.838 flat angles P-C4'-P energy: -66.755 tors. eta vs tors. theta energy: -146.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1644.871764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.871764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.871764 (E_RNA) where: Base-Base interactions energy: -1179.566 where: short stacking energy: -541.851 Base-Backbone interact. energy: -0.088 local terms energy: -465.218080 where: bonds (distance) C4'-P energy: -82.149 bonds (distance) P-C4' energy: -78.069 flat angles C4'-P-C4' energy: -92.322 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -143.383 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: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1490.310758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.310758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.310758 (E_RNA) where: Base-Base interactions energy: -1064.868 where: short stacking energy: -494.021 Base-Backbone interact. energy: -0.668 local terms energy: -424.775054 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -84.011 flat angles P-C4'-P energy: -63.756 tors. eta vs tors. theta energy: -124.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1486.497326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.497326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.497326 (E_RNA) where: Base-Base interactions energy: -1070.102 where: short stacking energy: -483.214 Base-Backbone interact. energy: -1.009 local terms energy: -415.386943 where: bonds (distance) C4'-P energy: -69.562 bonds (distance) P-C4' energy: -81.748 flat angles C4'-P-C4' energy: -91.244 flat angles P-C4'-P energy: -53.065 tors. eta vs tors. theta energy: -119.768 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1277.025681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.025681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.025681 (E_RNA) where: Base-Base interactions energy: -890.844 where: short stacking energy: -415.227 Base-Backbone interact. energy: -2.691 local terms energy: -383.491510 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -71.006 flat angles C4'-P-C4' energy: -81.327 flat angles P-C4'-P energy: -53.711 tors. eta vs tors. theta energy: -105.569 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1026.704966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.704966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.704966 (E_RNA) where: Base-Base interactions energy: -701.306 where: short stacking energy: -336.650 Base-Backbone interact. energy: -1.087 local terms energy: -324.312270 where: bonds (distance) C4'-P energy: -66.137 bonds (distance) P-C4' energy: -69.735 flat angles C4'-P-C4' energy: -74.365 flat angles P-C4'-P energy: -48.519 tors. eta vs tors. theta energy: -65.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1946.300156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.300156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.300156 (E_RNA) where: Base-Base interactions energy: -1384.806 where: short stacking energy: -630.445 Base-Backbone interact. energy: -0.308 local terms energy: -561.186296 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -98.411 flat angles C4'-P-C4' energy: -113.913 flat angles P-C4'-P energy: -79.050 tors. eta vs tors. theta energy: -170.232 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: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1873.636158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.636158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.636158 (E_RNA) where: Base-Base interactions energy: -1347.770 where: short stacking energy: -619.405 Base-Backbone interact. energy: -3.014 local terms energy: -522.852810 where: bonds (distance) C4'-P energy: -86.535 bonds (distance) P-C4' energy: -85.346 flat angles C4'-P-C4' energy: -115.297 flat angles P-C4'-P energy: -76.819 tors. eta vs tors. theta energy: -158.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1827.402085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.402085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.402085 (E_RNA) where: Base-Base interactions energy: -1320.277 where: short stacking energy: -596.544 Base-Backbone interact. energy: -1.929 local terms energy: -505.196317 where: bonds (distance) C4'-P energy: -82.747 bonds (distance) P-C4' energy: -81.252 flat angles C4'-P-C4' energy: -104.785 flat angles P-C4'-P energy: -77.578 tors. eta vs tors. theta energy: -158.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1776.497772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.497772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.497772 (E_RNA) where: Base-Base interactions energy: -1265.224 where: short stacking energy: -565.179 Base-Backbone interact. energy: -1.544 local terms energy: -509.729988 where: bonds (distance) C4'-P energy: -92.207 bonds (distance) P-C4' energy: -87.919 flat angles C4'-P-C4' energy: -103.156 flat angles P-C4'-P energy: -74.957 tors. eta vs tors. theta energy: -151.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1739.797763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.797763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.797763 (E_RNA) where: Base-Base interactions energy: -1246.608 where: short stacking energy: -555.244 Base-Backbone interact. energy: -2.669 local terms energy: -490.520584 where: bonds (distance) C4'-P energy: -78.295 bonds (distance) P-C4' energy: -89.599 flat angles C4'-P-C4' energy: -105.474 flat angles P-C4'-P energy: -66.547 tors. eta vs tors. theta energy: -150.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1635.905662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.905662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.905662 (E_RNA) where: Base-Base interactions energy: -1178.930 where: short stacking energy: -546.844 Base-Backbone interact. energy: -0.994 local terms energy: -455.982497 where: bonds (distance) C4'-P energy: -81.227 bonds (distance) P-C4' energy: -87.552 flat angles C4'-P-C4' energy: -81.377 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -151.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1495.947191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.947191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.947191 (E_RNA) where: Base-Base interactions energy: -1081.684 where: short stacking energy: -509.117 Base-Backbone interact. energy: 1.531 local terms energy: -415.793629 where: bonds (distance) C4'-P energy: -74.653 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -95.019 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -123.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1355.380048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.380048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.380048 (E_RNA) where: Base-Base interactions energy: -943.644 where: short stacking energy: -457.798 Base-Backbone interact. energy: -1.544 local terms energy: -410.191867 where: bonds (distance) C4'-P energy: -79.492 bonds (distance) P-C4' energy: -77.429 flat angles C4'-P-C4' energy: -102.200 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -105.277 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: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1453.596530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.596530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.596530 (E_RNA) where: Base-Base interactions energy: -1081.945 where: short stacking energy: -481.673 Base-Backbone interact. energy: -0.030 local terms energy: -371.621731 where: bonds (distance) C4'-P energy: -55.316 bonds (distance) P-C4' energy: -78.662 flat angles C4'-P-C4' energy: -94.535 flat angles P-C4'-P energy: -38.042 tors. eta vs tors. theta energy: -105.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1096.422346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.422346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.422346 (E_RNA) where: Base-Base interactions energy: -745.522 where: short stacking energy: -355.958 Base-Backbone interact. energy: -3.719 local terms energy: -347.181565 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -87.448 flat angles C4'-P-C4' energy: -75.740 flat angles P-C4'-P energy: -47.467 tors. eta vs tors. theta energy: -74.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1949.155894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.155894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.155894 (E_RNA) where: Base-Base interactions energy: -1396.635 where: short stacking energy: -658.237 Base-Backbone interact. energy: -2.883 local terms energy: -549.638058 where: bonds (distance) C4'-P energy: -93.348 bonds (distance) P-C4' energy: -86.412 flat angles C4'-P-C4' energy: -115.723 flat angles P-C4'-P energy: -83.202 tors. eta vs tors. theta energy: -170.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1871.824057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.824057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.824057 (E_RNA) where: Base-Base interactions energy: -1345.057 where: short stacking energy: -599.029 Base-Backbone interact. energy: -1.875 local terms energy: -524.892710 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -86.070 flat angles C4'-P-C4' energy: -111.452 flat angles P-C4'-P energy: -76.840 tors. eta vs tors. theta energy: -157.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1854.380510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.380510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.380510 (E_RNA) where: Base-Base interactions energy: -1324.103 where: short stacking energy: -611.363 Base-Backbone interact. energy: -2.609 local terms energy: -527.668658 where: bonds (distance) C4'-P energy: -89.229 bonds (distance) P-C4' energy: -81.703 flat angles C4'-P-C4' energy: -114.199 flat angles P-C4'-P energy: -76.977 tors. eta vs tors. theta energy: -165.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1752.053981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.053981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.053981 (E_RNA) where: Base-Base interactions energy: -1263.090 where: short stacking energy: -537.190 Base-Backbone interact. energy: -2.714 local terms energy: -486.250451 where: bonds (distance) C4'-P energy: -79.860 bonds (distance) P-C4' energy: -79.456 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -69.482 tors. eta vs tors. theta energy: -147.780 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: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1738.711200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.711200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.711200 (E_RNA) where: Base-Base interactions energy: -1237.431 where: short stacking energy: -542.528 Base-Backbone interact. energy: 0.079 local terms energy: -501.358353 where: bonds (distance) C4'-P energy: -84.648 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -101.955 flat angles P-C4'-P energy: -66.906 tors. eta vs tors. theta energy: -154.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1606.473936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.473936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.473936 (E_RNA) where: Base-Base interactions energy: -1134.122 where: short stacking energy: -519.091 Base-Backbone interact. energy: -0.492 local terms energy: -471.860462 where: bonds (distance) C4'-P energy: -84.838 bonds (distance) P-C4' energy: -82.266 flat angles C4'-P-C4' energy: -102.751 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -140.402 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: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1494.330576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.330576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.330576 (E_RNA) where: Base-Base interactions energy: -1068.099 where: short stacking energy: -505.872 Base-Backbone interact. energy: -2.617 local terms energy: -423.614269 where: bonds (distance) C4'-P energy: -87.574 bonds (distance) P-C4' energy: -85.476 flat angles C4'-P-C4' energy: -79.892 flat angles P-C4'-P energy: -40.571 tors. eta vs tors. theta energy: -130.102 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: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1394.330222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.330222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.330222 (E_RNA) where: Base-Base interactions energy: -990.373 where: short stacking energy: -454.171 Base-Backbone interact. energy: -1.147 local terms energy: -402.810291 where: bonds (distance) C4'-P energy: -69.756 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -94.341 flat angles P-C4'-P energy: -56.134 tors. eta vs tors. theta energy: -116.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1455.512655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.512655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.512655 (E_RNA) where: Base-Base interactions energy: -1024.890 where: short stacking energy: -464.783 Base-Backbone interact. energy: -0.327 local terms energy: -430.296036 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -66.987 flat angles C4'-P-C4' energy: -92.405 flat angles P-C4'-P energy: -60.790 tors. eta vs tors. theta energy: -126.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1160.161803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.161803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.161803 (E_RNA) where: Base-Base interactions energy: -803.852 where: short stacking energy: -349.284 Base-Backbone interact. energy: -0.428 local terms energy: -355.881385 where: bonds (distance) C4'-P energy: -71.931 bonds (distance) P-C4' energy: -73.437 flat angles C4'-P-C4' energy: -81.156 flat angles P-C4'-P energy: -58.814 tors. eta vs tors. theta energy: -70.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1947.892388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.892388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.892388 (E_RNA) where: Base-Base interactions energy: -1391.871 where: short stacking energy: -659.683 Base-Backbone interact. energy: 0.580 local terms energy: -556.601148 where: bonds (distance) C4'-P energy: -89.352 bonds (distance) P-C4' energy: -102.811 flat angles C4'-P-C4' energy: -109.179 flat angles P-C4'-P energy: -84.792 tors. eta vs tors. theta energy: -170.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1862.621064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.621064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.621064 (E_RNA) where: Base-Base interactions energy: -1334.021 where: short stacking energy: -611.375 Base-Backbone interact. energy: -0.132 local terms energy: -528.467391 where: bonds (distance) C4'-P energy: -82.967 bonds (distance) P-C4' energy: -95.104 flat angles C4'-P-C4' energy: -111.255 flat angles P-C4'-P energy: -78.276 tors. eta vs tors. theta energy: -160.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1821.604579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.604579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.604579 (E_RNA) where: Base-Base interactions energy: -1309.079 where: short stacking energy: -599.332 Base-Backbone interact. energy: 0.874 local terms energy: -513.398692 where: bonds (distance) C4'-P energy: -80.413 bonds (distance) P-C4' energy: -88.380 flat angles C4'-P-C4' energy: -103.545 flat angles P-C4'-P energy: -82.671 tors. eta vs tors. theta energy: -158.390 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: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1742.195831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.195831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.195831 (E_RNA) where: Base-Base interactions energy: -1230.057 where: short stacking energy: -564.207 Base-Backbone interact. energy: -1.724 local terms energy: -510.414958 where: bonds (distance) C4'-P energy: -98.448 bonds (distance) P-C4' energy: -93.929 flat angles C4'-P-C4' energy: -103.479 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -156.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1720.866510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.866510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.866510 (E_RNA) where: Base-Base interactions energy: -1246.131 where: short stacking energy: -551.129 Base-Backbone interact. energy: -1.614 local terms energy: -473.121166 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -87.593 flat angles C4'-P-C4' energy: -101.014 flat angles P-C4'-P energy: -54.957 tors. eta vs tors. theta energy: -150.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1612.733579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.733579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.733579 (E_RNA) where: Base-Base interactions energy: -1139.553 where: short stacking energy: -520.507 Base-Backbone interact. energy: -1.794 local terms energy: -471.386302 where: bonds (distance) C4'-P energy: -88.460 bonds (distance) P-C4' energy: -89.736 flat angles C4'-P-C4' energy: -94.157 flat angles P-C4'-P energy: -60.375 tors. eta vs tors. theta energy: -138.658 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: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1525.684526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.684526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.684526 (E_RNA) where: Base-Base interactions energy: -1087.532 where: short stacking energy: -509.704 Base-Backbone interact. energy: -2.281 local terms energy: -435.871523 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -82.189 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -56.295 tors. eta vs tors. theta energy: -125.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1456.932232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.932232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.932232 (E_RNA) where: Base-Base interactions energy: -1014.517 where: short stacking energy: -460.352 Base-Backbone interact. energy: -2.149 local terms energy: -440.265430 where: bonds (distance) C4'-P energy: -78.042 bonds (distance) P-C4' energy: -81.764 flat angles C4'-P-C4' energy: -99.844 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -115.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1380.590025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.590025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.590025 (E_RNA) where: Base-Base interactions energy: -964.177 where: short stacking energy: -445.178 Base-Backbone interact. energy: -1.139 local terms energy: -415.273286 where: bonds (distance) C4'-P energy: -66.338 bonds (distance) P-C4' energy: -85.705 flat angles C4'-P-C4' energy: -86.225 flat angles P-C4'-P energy: -62.897 tors. eta vs tors. theta energy: -114.108 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: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1071.687730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.687730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.687730 (E_RNA) where: Base-Base interactions energy: -752.338 where: short stacking energy: -385.760 Base-Backbone interact. energy: -0.905 local terms energy: -318.445320 where: bonds (distance) C4'-P energy: -63.538 bonds (distance) P-C4' energy: -37.671 flat angles C4'-P-C4' energy: -86.882 flat angles P-C4'-P energy: -53.618 tors. eta vs tors. theta energy: -76.737 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: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1935.480491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.480491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.480491 (E_RNA) where: Base-Base interactions energy: -1393.070 where: short stacking energy: -649.765 Base-Backbone interact. energy: -3.673 local terms energy: -538.737119 where: bonds (distance) C4'-P energy: -89.139 bonds (distance) P-C4' energy: -86.590 flat angles C4'-P-C4' energy: -110.021 flat angles P-C4'-P energy: -81.753 tors. eta vs tors. theta energy: -171.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1868.501279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.501279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.501279 (E_RNA) where: Base-Base interactions energy: -1319.455 where: short stacking energy: -598.937 Base-Backbone interact. energy: -1.920 local terms energy: -547.127096 where: bonds (distance) C4'-P energy: -90.802 bonds (distance) P-C4' energy: -99.680 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -73.120 tors. eta vs tors. theta energy: -161.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1806.180437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.180437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.180437 (E_RNA) where: Base-Base interactions energy: -1294.450 where: short stacking energy: -608.768 Base-Backbone interact. energy: 0.342 local terms energy: -512.072672 where: bonds (distance) C4'-P energy: -88.326 bonds (distance) P-C4' energy: -94.409 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -62.107 tors. eta vs tors. theta energy: -160.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1746.343516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.343516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.343516 (E_RNA) where: Base-Base interactions energy: -1251.496 where: short stacking energy: -578.278 Base-Backbone interact. energy: -2.041 local terms energy: -492.806498 where: bonds (distance) C4'-P energy: -85.157 bonds (distance) P-C4' energy: -93.294 flat angles C4'-P-C4' energy: -101.864 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: -149.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1738.174913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.174913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.174913 (E_RNA) where: Base-Base interactions energy: -1257.891 where: short stacking energy: -567.188 Base-Backbone interact. energy: -0.924 local terms energy: -479.359825 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -83.533 flat angles C4'-P-C4' energy: -107.715 flat angles P-C4'-P energy: -58.224 tors. eta vs tors. theta energy: -144.535 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: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1652.027934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.027934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.027934 (E_RNA) where: Base-Base interactions energy: -1187.118 where: short stacking energy: -544.074 Base-Backbone interact. energy: -1.814 local terms energy: -463.095973 where: bonds (distance) C4'-P energy: -73.507 bonds (distance) P-C4' energy: -87.550 flat angles C4'-P-C4' energy: -100.617 flat angles P-C4'-P energy: -58.919 tors. eta vs tors. theta energy: -142.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1532.470352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.470352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.470352 (E_RNA) where: Base-Base interactions energy: -1090.548 where: short stacking energy: -495.740 Base-Backbone interact. energy: 1.061 local terms energy: -442.983327 where: bonds (distance) C4'-P energy: -82.930 bonds (distance) P-C4' energy: -83.241 flat angles C4'-P-C4' energy: -103.165 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -123.896 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: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1509.287414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.287414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.287414 (E_RNA) where: Base-Base interactions energy: -1095.927 where: short stacking energy: -488.612 Base-Backbone interact. energy: -0.866 local terms energy: -412.495028 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -72.377 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -51.138 tors. eta vs tors. theta energy: -129.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1397.961739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.961739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.961739 (E_RNA) where: Base-Base interactions energy: -998.406 where: short stacking energy: -484.233 Base-Backbone interact. energy: 0.725 local terms energy: -400.280570 where: bonds (distance) C4'-P energy: -73.530 bonds (distance) P-C4' energy: -70.545 flat angles C4'-P-C4' energy: -80.654 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -119.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1084.062386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.062386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.062386 (E_RNA) where: Base-Base interactions energy: -777.620 where: short stacking energy: -373.953 Base-Backbone interact. energy: -0.370 local terms energy: -306.071581 where: bonds (distance) C4'-P energy: -66.623 bonds (distance) P-C4' energy: -62.957 flat angles C4'-P-C4' energy: -68.719 flat angles P-C4'-P energy: -37.341 tors. eta vs tors. theta energy: -70.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1919.199022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.199022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.199022 (E_RNA) where: Base-Base interactions energy: -1376.518 where: short stacking energy: -631.973 Base-Backbone interact. energy: -1.067 local terms energy: -541.613499 where: bonds (distance) C4'-P energy: -88.010 bonds (distance) P-C4' energy: -100.649 flat angles C4'-P-C4' energy: -115.632 flat angles P-C4'-P energy: -71.613 tors. eta vs tors. theta energy: -165.709 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: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1885.468831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.468831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.468831 (E_RNA) where: Base-Base interactions energy: -1346.313 where: short stacking energy: -615.203 Base-Backbone interact. energy: -2.945 local terms energy: -536.210999 where: bonds (distance) C4'-P energy: -93.951 bonds (distance) P-C4' energy: -89.895 flat angles C4'-P-C4' energy: -109.000 flat angles P-C4'-P energy: -72.722 tors. eta vs tors. theta energy: -170.643 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: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1799.541664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.541664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.541664 (E_RNA) where: Base-Base interactions energy: -1292.659 where: short stacking energy: -604.857 Base-Backbone interact. energy: 2.108 local terms energy: -508.989954 where: bonds (distance) C4'-P energy: -77.540 bonds (distance) P-C4' energy: -95.457 flat angles C4'-P-C4' energy: -111.922 flat angles P-C4'-P energy: -68.391 tors. eta vs tors. theta energy: -155.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1759.130519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.130519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.130519 (E_RNA) where: Base-Base interactions energy: -1269.491 where: short stacking energy: -587.777 Base-Backbone interact. energy: -4.108 local terms energy: -485.531347 where: bonds (distance) C4'-P energy: -82.323 bonds (distance) P-C4' energy: -79.033 flat angles C4'-P-C4' energy: -103.611 flat angles P-C4'-P energy: -60.267 tors. eta vs tors. theta energy: -160.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1699.309447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.309447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.309447 (E_RNA) where: Base-Base interactions energy: -1224.045 where: short stacking energy: -539.359 Base-Backbone interact. energy: 6.037 local terms energy: -481.302109 where: bonds (distance) C4'-P energy: -81.725 bonds (distance) P-C4' energy: -89.466 flat angles C4'-P-C4' energy: -102.625 flat angles P-C4'-P energy: -60.863 tors. eta vs tors. theta energy: -146.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1634.205114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.205114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.205114 (E_RNA) where: Base-Base interactions energy: -1160.120 where: short stacking energy: -523.212 Base-Backbone interact. energy: -3.276 local terms energy: -470.808167 where: bonds (distance) C4'-P energy: -81.211 bonds (distance) P-C4' energy: -90.021 flat angles C4'-P-C4' energy: -101.863 flat angles P-C4'-P energy: -54.632 tors. eta vs tors. theta energy: -143.081 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: 8 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1523.753761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.753761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.753761 (E_RNA) where: Base-Base interactions energy: -1113.354 where: short stacking energy: -503.968 Base-Backbone interact. energy: -0.487 local terms energy: -409.912788 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -73.623 flat angles C4'-P-C4' energy: -93.642 flat angles P-C4'-P energy: -49.574 tors. eta vs tors. theta energy: -125.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1492.069269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.069269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.069269 (E_RNA) where: Base-Base interactions energy: -1069.808 where: short stacking energy: -499.306 Base-Backbone interact. energy: 1.269 local terms energy: -423.530818 where: bonds (distance) C4'-P energy: -89.207 bonds (distance) P-C4' energy: -60.207 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -56.407 tors. eta vs tors. theta energy: -124.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1458.890242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.890242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.890242 (E_RNA) where: Base-Base interactions energy: -1030.970 where: short stacking energy: -450.942 Base-Backbone interact. energy: -0.117 local terms energy: -427.803333 where: bonds (distance) C4'-P energy: -81.290 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -98.549 flat angles P-C4'-P energy: -63.469 tors. eta vs tors. theta energy: -120.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -990.217586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.217586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.217586 (E_RNA) where: Base-Base interactions energy: -651.549 where: short stacking energy: -327.168 Base-Backbone interact. energy: -1.830 local terms energy: -336.838998 where: bonds (distance) C4'-P energy: -78.358 bonds (distance) P-C4' energy: -79.599 flat angles C4'-P-C4' energy: -81.782 flat angles P-C4'-P energy: -39.121 tors. eta vs tors. theta energy: -57.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1908.834310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.834310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.834310 (E_RNA) where: Base-Base interactions energy: -1378.640 where: short stacking energy: -630.790 Base-Backbone interact. energy: -1.525 local terms energy: -528.669107 where: bonds (distance) C4'-P energy: -85.634 bonds (distance) P-C4' energy: -94.865 flat angles C4'-P-C4' energy: -109.158 flat angles P-C4'-P energy: -80.161 tors. eta vs tors. theta energy: -158.851 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: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1872.710752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.710752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.710752 (E_RNA) where: Base-Base interactions energy: -1336.706 where: short stacking energy: -601.639 Base-Backbone interact. energy: -1.709 local terms energy: -534.295760 where: bonds (distance) C4'-P energy: -94.046 bonds (distance) P-C4' energy: -98.349 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -78.020 tors. eta vs tors. theta energy: -163.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1824.942621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.942621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.942621 (E_RNA) where: Base-Base interactions energy: -1298.594 where: short stacking energy: -612.199 Base-Backbone interact. energy: 0.498 local terms energy: -526.846546 where: bonds (distance) C4'-P energy: -88.853 bonds (distance) P-C4' energy: -98.208 flat angles C4'-P-C4' energy: -115.873 flat angles P-C4'-P energy: -59.766 tors. eta vs tors. theta energy: -164.146 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: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1752.465893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.465893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.465893 (E_RNA) where: Base-Base interactions energy: -1232.209 where: short stacking energy: -569.912 Base-Backbone interact. energy: -0.067 local terms energy: -520.190295 where: bonds (distance) C4'-P energy: -91.383 bonds (distance) P-C4' energy: -105.443 flat angles C4'-P-C4' energy: -109.335 flat angles P-C4'-P energy: -59.109 tors. eta vs tors. theta energy: -154.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1664.655215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.655215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.655215 (E_RNA) where: Base-Base interactions energy: -1190.176 where: short stacking energy: -546.593 Base-Backbone interact. energy: -1.136 local terms energy: -473.343564 where: bonds (distance) C4'-P energy: -79.883 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -101.136 flat angles P-C4'-P energy: -68.927 tors. eta vs tors. theta energy: -141.686 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: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1688.961001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.961001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.961001 (E_RNA) where: Base-Base interactions energy: -1206.053 where: short stacking energy: -534.298 Base-Backbone interact. energy: -0.693 local terms energy: -482.214629 where: bonds (distance) C4'-P energy: -80.171 bonds (distance) P-C4' energy: -80.927 flat angles C4'-P-C4' energy: -109.426 flat angles P-C4'-P energy: -63.365 tors. eta vs tors. theta energy: -148.326 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: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1548.196542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.196542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.196542 (E_RNA) where: Base-Base interactions energy: -1079.663 where: short stacking energy: -511.294 Base-Backbone interact. energy: -2.146 local terms energy: -466.386982 where: bonds (distance) C4'-P energy: -75.952 bonds (distance) P-C4' energy: -81.377 flat angles C4'-P-C4' energy: -103.823 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -142.368 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: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1528.627289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.627289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.627289 (E_RNA) where: Base-Base interactions energy: -1123.083 where: short stacking energy: -500.136 Base-Backbone interact. energy: -2.000 local terms energy: -403.544239 where: bonds (distance) C4'-P energy: -35.754 bonds (distance) P-C4' energy: -85.018 flat angles C4'-P-C4' energy: -91.464 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -129.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1466.411508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.411508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.411508 (E_RNA) where: Base-Base interactions energy: -1039.222 where: short stacking energy: -462.077 Base-Backbone interact. energy: -1.083 local terms energy: -426.106117 where: bonds (distance) C4'-P energy: -67.036 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -99.814 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -124.601 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: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1016.344977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.344977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.344977 (E_RNA) where: Base-Base interactions energy: -668.978 where: short stacking energy: -312.994 Base-Backbone interact. energy: -0.959 local terms energy: -346.407396 where: bonds (distance) C4'-P energy: -77.804 bonds (distance) P-C4' energy: -84.133 flat angles C4'-P-C4' energy: -64.969 flat angles P-C4'-P energy: -52.668 tors. eta vs tors. theta energy: -66.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1915.597649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.597649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.597649 (E_RNA) where: Base-Base interactions energy: -1372.336 where: short stacking energy: -615.089 Base-Backbone interact. energy: -2.480 local terms energy: -540.782003 where: bonds (distance) C4'-P energy: -97.748 bonds (distance) P-C4' energy: -97.387 flat angles C4'-P-C4' energy: -105.651 flat angles P-C4'-P energy: -71.779 tors. eta vs tors. theta energy: -168.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1865.857936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.857936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.857936 (E_RNA) where: Base-Base interactions energy: -1348.769 where: short stacking energy: -609.721 Base-Backbone interact. energy: -1.226 local terms energy: -515.863041 where: bonds (distance) C4'-P energy: -84.912 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -104.618 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -164.834 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: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1846.263439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.263439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.263439 (E_RNA) where: Base-Base interactions energy: -1328.322 where: short stacking energy: -625.044 Base-Backbone interact. energy: -1.272 local terms energy: -516.669773 where: bonds (distance) C4'-P energy: -83.101 bonds (distance) P-C4' energy: -78.224 flat angles C4'-P-C4' energy: -113.310 flat angles P-C4'-P energy: -75.573 tors. eta vs tors. theta energy: -166.462 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: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1763.721231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.721231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.721231 (E_RNA) where: Base-Base interactions energy: -1256.769 where: short stacking energy: -566.707 Base-Backbone interact. energy: -3.080 local terms energy: -503.872453 where: bonds (distance) C4'-P energy: -89.985 bonds (distance) P-C4' energy: -90.844 flat angles C4'-P-C4' energy: -99.485 flat angles P-C4'-P energy: -79.457 tors. eta vs tors. theta energy: -144.101 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: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1628.771977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.771977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.771977 (E_RNA) where: Base-Base interactions energy: -1169.946 where: short stacking energy: -534.477 Base-Backbone interact. energy: -1.214 local terms energy: -457.611854 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -93.804 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -133.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1709.410288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.410288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.410288 (E_RNA) where: Base-Base interactions energy: -1205.336 where: short stacking energy: -530.168 Base-Backbone interact. energy: 1.980 local terms energy: -506.054290 where: bonds (distance) C4'-P energy: -88.964 bonds (distance) P-C4' energy: -90.490 flat angles C4'-P-C4' energy: -104.665 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -144.680 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: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1579.450064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.450064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.450064 (E_RNA) where: Base-Base interactions energy: -1110.802 where: short stacking energy: -507.975 Base-Backbone interact. energy: 4.357 local terms energy: -473.004858 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -82.593 flat angles C4'-P-C4' energy: -91.487 flat angles P-C4'-P energy: -72.695 tors. eta vs tors. theta energy: -135.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1506.599994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.599994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.599994 (E_RNA) where: Base-Base interactions energy: -1059.549 where: short stacking energy: -487.985 Base-Backbone interact. energy: -1.085 local terms energy: -445.965132 where: bonds (distance) C4'-P energy: -85.126 bonds (distance) P-C4' energy: -69.099 flat angles C4'-P-C4' energy: -95.054 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -134.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1470.572710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.572710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.572710 (E_RNA) where: Base-Base interactions energy: -1053.648 where: short stacking energy: -508.289 Base-Backbone interact. energy: -0.553 local terms energy: -416.371764 where: bonds (distance) C4'-P energy: -65.837 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -98.054 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -134.003 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -972.863365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.863365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.863365 (E_RNA) where: Base-Base interactions energy: -646.250 where: short stacking energy: -336.888 Base-Backbone interact. energy: 2.170 local terms energy: -328.782919 where: bonds (distance) C4'-P energy: -73.491 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -74.903 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: -62.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1944.827335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.827335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.827335 (E_RNA) where: Base-Base interactions energy: -1388.186 where: short stacking energy: -638.865 Base-Backbone interact. energy: -2.681 local terms energy: -553.960148 where: bonds (distance) C4'-P energy: -99.981 bonds (distance) P-C4' energy: -99.850 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -79.052 tors. eta vs tors. theta energy: -165.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1861.336824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.336824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.336824 (E_RNA) where: Base-Base interactions energy: -1321.448 where: short stacking energy: -611.915 Base-Backbone interact. energy: -0.422 local terms energy: -539.466018 where: bonds (distance) C4'-P energy: -102.369 bonds (distance) P-C4' energy: -95.591 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -70.103 tors. eta vs tors. theta energy: -161.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1811.343319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.343319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.343319 (E_RNA) where: Base-Base interactions energy: -1306.512 where: short stacking energy: -623.457 Base-Backbone interact. energy: -2.293 local terms energy: -502.538404 where: bonds (distance) C4'-P energy: -90.767 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -71.737 tors. eta vs tors. theta energy: -158.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1740.207832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.207832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.207832 (E_RNA) where: Base-Base interactions energy: -1259.080 where: short stacking energy: -573.255 Base-Backbone interact. energy: -3.701 local terms energy: -477.426664 where: bonds (distance) C4'-P energy: -73.775 bonds (distance) P-C4' energy: -83.859 flat angles C4'-P-C4' energy: -114.688 flat angles P-C4'-P energy: -59.397 tors. eta vs tors. theta energy: -145.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1725.616648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.616648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.616648 (E_RNA) where: Base-Base interactions energy: -1221.547 where: short stacking energy: -548.460 Base-Backbone interact. energy: -2.646 local terms energy: -501.423231 where: bonds (distance) C4'-P energy: -83.678 bonds (distance) P-C4' energy: -97.056 flat angles C4'-P-C4' energy: -101.279 flat angles P-C4'-P energy: -70.920 tors. eta vs tors. theta energy: -148.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1634.988864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.988864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.988864 (E_RNA) where: Base-Base interactions energy: -1150.184 where: short stacking energy: -527.879 Base-Backbone interact. energy: -2.002 local terms energy: -482.802890 where: bonds (distance) C4'-P energy: -99.576 bonds (distance) P-C4' energy: -96.903 flat angles C4'-P-C4' energy: -95.181 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -141.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1546.919402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.919402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.919402 (E_RNA) where: Base-Base interactions energy: -1093.105 where: short stacking energy: -483.268 Base-Backbone interact. energy: -0.337 local terms energy: -453.476912 where: bonds (distance) C4'-P energy: -95.111 bonds (distance) P-C4' energy: -80.392 flat angles C4'-P-C4' energy: -94.751 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -128.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1533.790579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.790579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.790579 (E_RNA) where: Base-Base interactions energy: -1104.372 where: short stacking energy: -500.666 Base-Backbone interact. energy: 1.059 local terms energy: -430.477633 where: bonds (distance) C4'-P energy: -78.235 bonds (distance) P-C4' energy: -72.749 flat angles C4'-P-C4' energy: -84.050 flat angles P-C4'-P energy: -56.877 tors. eta vs tors. theta energy: -138.566 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: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1491.991431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.991431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.991431 (E_RNA) where: Base-Base interactions energy: -1087.133 where: short stacking energy: -505.813 Base-Backbone interact. energy: -0.727 local terms energy: -404.131458 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -82.414 flat angles P-C4'-P energy: -64.099 tors. eta vs tors. theta energy: -131.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1018.706670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.706670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.706670 (E_RNA) where: Base-Base interactions energy: -644.463 where: short stacking energy: -307.321 Base-Backbone interact. energy: -3.109 local terms energy: -371.135112 where: bonds (distance) C4'-P energy: -71.358 bonds (distance) P-C4' energy: -90.470 flat angles C4'-P-C4' energy: -89.845 flat angles P-C4'-P energy: -49.381 tors. eta vs tors. theta energy: -70.081 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: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1944.436355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.436355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.436355 (E_RNA) where: Base-Base interactions energy: -1386.506 where: short stacking energy: -637.372 Base-Backbone interact. energy: 0.740 local terms energy: -558.670595 where: bonds (distance) C4'-P energy: -97.844 bonds (distance) P-C4' energy: -100.399 flat angles C4'-P-C4' energy: -111.206 flat angles P-C4'-P energy: -79.638 tors. eta vs tors. theta energy: -169.584 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: 153 Temperature: 0.950000 Total energy: -1840.657262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.657262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.657262 (E_RNA) where: Base-Base interactions energy: -1327.619 where: short stacking energy: -591.449 Base-Backbone interact. energy: -1.506 local terms energy: -511.532459 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -98.122 flat angles C4'-P-C4' energy: -102.059 flat angles P-C4'-P energy: -70.576 tors. eta vs tors. theta energy: -153.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1800.555882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.555882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.555882 (E_RNA) where: Base-Base interactions energy: -1281.156 where: short stacking energy: -609.659 Base-Backbone interact. energy: -2.694 local terms energy: -516.706148 where: bonds (distance) C4'-P energy: -95.416 bonds (distance) P-C4' energy: -83.494 flat angles C4'-P-C4' energy: -110.495 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -157.714 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: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1732.942917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.942917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.942917 (E_RNA) where: Base-Base interactions energy: -1244.342 where: short stacking energy: -560.629 Base-Backbone interact. energy: -0.443 local terms energy: -488.158119 where: bonds (distance) C4'-P energy: -85.836 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -98.883 flat angles P-C4'-P energy: -69.425 tors. eta vs tors. theta energy: -147.846 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: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1706.587233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.587233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.587233 (E_RNA) where: Base-Base interactions energy: -1230.086 where: short stacking energy: -540.688 Base-Backbone interact. energy: -0.400 local terms energy: -476.100957 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -85.513 flat angles C4'-P-C4' energy: -97.604 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -142.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1635.182920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.182920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.182920 (E_RNA) where: Base-Base interactions energy: -1157.059 where: short stacking energy: -537.228 Base-Backbone interact. energy: -2.346 local terms energy: -475.777927 where: bonds (distance) C4'-P energy: -78.471 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -107.219 flat angles P-C4'-P energy: -61.596 tors. eta vs tors. theta energy: -145.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1556.365871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.365871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.365871 (E_RNA) where: Base-Base interactions energy: -1107.226 where: short stacking energy: -509.767 Base-Backbone interact. energy: -1.853 local terms energy: -447.286271 where: bonds (distance) C4'-P energy: -75.433 bonds (distance) P-C4' energy: -93.428 flat angles C4'-P-C4' energy: -85.987 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -137.786 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: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1509.488558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.488558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.488558 (E_RNA) where: Base-Base interactions energy: -1069.465 where: short stacking energy: -489.393 Base-Backbone interact. energy: -0.955 local terms energy: -439.068921 where: bonds (distance) C4'-P energy: -96.463 bonds (distance) P-C4' energy: -74.874 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -54.221 tors. eta vs tors. theta energy: -125.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1535.890942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.890942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.890942 (E_RNA) where: Base-Base interactions energy: -1076.832 where: short stacking energy: -500.930 Base-Backbone interact. energy: -1.020 local terms energy: -458.039660 where: bonds (distance) C4'-P energy: -73.461 bonds (distance) P-C4' energy: -76.042 flat angles C4'-P-C4' energy: -98.833 flat angles P-C4'-P energy: -67.558 tors. eta vs tors. theta energy: -142.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -991.788505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.788505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.788505 (E_RNA) where: Base-Base interactions energy: -649.561 where: short stacking energy: -300.552 Base-Backbone interact. energy: -0.096 local terms energy: -342.131733 where: bonds (distance) C4'-P energy: -72.863 bonds (distance) P-C4' energy: -73.470 flat angles C4'-P-C4' energy: -82.417 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -50.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1939.015437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.015437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.015437 (E_RNA) where: Base-Base interactions energy: -1401.364 where: short stacking energy: -628.743 Base-Backbone interact. energy: -1.992 local terms energy: -535.659600 where: bonds (distance) C4'-P energy: -90.866 bonds (distance) P-C4' energy: -99.902 flat angles C4'-P-C4' energy: -104.101 flat angles P-C4'-P energy: -74.937 tors. eta vs tors. theta energy: -165.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1848.543763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.543763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.543763 (E_RNA) where: Base-Base interactions energy: -1317.753 where: short stacking energy: -586.847 Base-Backbone interact. energy: -3.097 local terms energy: -527.694029 where: bonds (distance) C4'-P energy: -94.923 bonds (distance) P-C4' energy: -93.684 flat angles C4'-P-C4' energy: -107.898 flat angles P-C4'-P energy: -72.058 tors. eta vs tors. theta energy: -159.132 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: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1822.944248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.944248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.944248 (E_RNA) where: Base-Base interactions energy: -1305.518 where: short stacking energy: -613.214 Base-Backbone interact. energy: -0.413 local terms energy: -517.013142 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -89.356 flat angles C4'-P-C4' energy: -115.165 flat angles P-C4'-P energy: -69.422 tors. eta vs tors. theta energy: -159.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1744.933632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.933632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.933632 (E_RNA) where: Base-Base interactions energy: -1258.071 where: short stacking energy: -588.672 Base-Backbone interact. energy: -0.351 local terms energy: -486.512091 where: bonds (distance) C4'-P energy: -83.221 bonds (distance) P-C4' energy: -86.095 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -59.710 tors. eta vs tors. theta energy: -149.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1692.153483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.153483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.153483 (E_RNA) where: Base-Base interactions energy: -1211.231 where: short stacking energy: -544.405 Base-Backbone interact. energy: -2.335 local terms energy: -478.586570 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -81.823 flat angles C4'-P-C4' energy: -101.531 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -138.950 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: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1633.355995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.355995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.355995 (E_RNA) where: Base-Base interactions energy: -1169.594 where: short stacking energy: -537.545 Base-Backbone interact. energy: -0.099 local terms energy: -463.662806 where: bonds (distance) C4'-P energy: -85.025 bonds (distance) P-C4' energy: -89.018 flat angles C4'-P-C4' energy: -95.860 flat angles P-C4'-P energy: -55.977 tors. eta vs tors. theta energy: -137.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1614.227993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.227993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.227993 (E_RNA) where: Base-Base interactions energy: -1159.032 where: short stacking energy: -536.993 Base-Backbone interact. energy: -1.630 local terms energy: -453.566340 where: bonds (distance) C4'-P energy: -72.378 bonds (distance) P-C4' energy: -80.957 flat angles C4'-P-C4' energy: -106.111 flat angles P-C4'-P energy: -60.489 tors. eta vs tors. theta energy: -133.633 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: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1483.554244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.554244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.554244 (E_RNA) where: Base-Base interactions energy: -1064.537 where: short stacking energy: -455.157 Base-Backbone interact. energy: -1.846 local terms energy: -417.171602 where: bonds (distance) C4'-P energy: -80.554 bonds (distance) P-C4' energy: -78.338 flat angles C4'-P-C4' energy: -96.236 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -121.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1542.718968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.718968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.718968 (E_RNA) where: Base-Base interactions energy: -1115.722 where: short stacking energy: -508.947 Base-Backbone interact. energy: -1.087 local terms energy: -425.910419 where: bonds (distance) C4'-P energy: -69.033 bonds (distance) P-C4' energy: -76.134 flat angles C4'-P-C4' energy: -96.634 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: -139.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -990.115715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.115715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.115715 (E_RNA) where: Base-Base interactions energy: -644.736 where: short stacking energy: -320.945 Base-Backbone interact. energy: 1.971 local terms energy: -347.350828 where: bonds (distance) C4'-P energy: -71.161 bonds (distance) P-C4' energy: -79.491 flat angles C4'-P-C4' energy: -82.480 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -64.033 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: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1956.381177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.381177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.381177 (E_RNA) where: Base-Base interactions energy: -1394.496 where: short stacking energy: -645.889 Base-Backbone interact. energy: -0.686 local terms energy: -561.199349 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -106.181 flat angles C4'-P-C4' energy: -118.970 flat angles P-C4'-P energy: -75.404 tors. eta vs tors. theta energy: -163.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1843.719574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.719574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.719574 (E_RNA) where: Base-Base interactions energy: -1322.517 where: short stacking energy: -622.405 Base-Backbone interact. energy: -0.452 local terms energy: -520.751290 where: bonds (distance) C4'-P energy: -83.788 bonds (distance) P-C4' energy: -87.586 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -79.911 tors. eta vs tors. theta energy: -161.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1815.607592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.607592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.607592 (E_RNA) where: Base-Base interactions energy: -1304.853 where: short stacking energy: -586.955 Base-Backbone interact. energy: -0.978 local terms energy: -509.776083 where: bonds (distance) C4'-P energy: -85.216 bonds (distance) P-C4' energy: -89.540 flat angles C4'-P-C4' energy: -106.997 flat angles P-C4'-P energy: -73.713 tors. eta vs tors. theta energy: -154.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1735.100465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.100465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.100465 (E_RNA) where: Base-Base interactions energy: -1235.117 where: short stacking energy: -556.331 Base-Backbone interact. energy: -3.659 local terms energy: -496.324361 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -104.964 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -148.674 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: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1717.725441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.725441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.725441 (E_RNA) where: Base-Base interactions energy: -1226.091 where: short stacking energy: -564.261 Base-Backbone interact. energy: -0.724 local terms energy: -490.910404 where: bonds (distance) C4'-P energy: -78.436 bonds (distance) P-C4' energy: -89.502 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -147.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1617.693514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.693514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.693514 (E_RNA) where: Base-Base interactions energy: -1134.769 where: short stacking energy: -539.182 Base-Backbone interact. energy: 1.373 local terms energy: -484.298136 where: bonds (distance) C4'-P energy: -74.617 bonds (distance) P-C4' energy: -85.533 flat angles C4'-P-C4' energy: -97.383 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -148.220 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: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1574.236276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.236276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.236276 (E_RNA) where: Base-Base interactions energy: -1117.783 where: short stacking energy: -516.112 Base-Backbone interact. energy: 2.474 local terms energy: -458.926417 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -103.085 flat angles P-C4'-P energy: -71.197 tors. eta vs tors. theta energy: -134.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1498.910895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.910895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.910895 (E_RNA) where: Base-Base interactions energy: -1081.771 where: short stacking energy: -489.326 Base-Backbone interact. energy: -2.234 local terms energy: -414.905994 where: bonds (distance) C4'-P energy: -70.081 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -97.895 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -135.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1482.934163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.934163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.934163 (E_RNA) where: Base-Base interactions energy: -1048.704 where: short stacking energy: -478.798 Base-Backbone interact. energy: 0.149 local terms energy: -434.378738 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -71.330 flat angles C4'-P-C4' energy: -100.340 flat angles P-C4'-P energy: -64.551 tors. eta vs tors. theta energy: -118.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1006.666791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.666791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.666791 (E_RNA) where: Base-Base interactions energy: -683.867 where: short stacking energy: -339.011 Base-Backbone interact. energy: -0.257 local terms energy: -322.543586 where: bonds (distance) C4'-P energy: -75.917 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -80.883 flat angles P-C4'-P energy: -30.415 tors. eta vs tors. theta energy: -65.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1934.104222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.104222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.104222 (E_RNA) where: Base-Base interactions energy: -1384.387 where: short stacking energy: -647.990 Base-Backbone interact. energy: -1.697 local terms energy: -548.020225 where: bonds (distance) C4'-P energy: -91.332 bonds (distance) P-C4' energy: -93.884 flat angles C4'-P-C4' energy: -121.481 flat angles P-C4'-P energy: -72.102 tors. eta vs tors. theta energy: -169.221 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: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1860.200713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.200713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.200713 (E_RNA) where: Base-Base interactions energy: -1320.268 where: short stacking energy: -599.855 Base-Backbone interact. energy: -0.521 local terms energy: -539.411105 where: bonds (distance) C4'-P energy: -91.025 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -163.267 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: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1812.477434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.477434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.477434 (E_RNA) where: Base-Base interactions energy: -1309.535 where: short stacking energy: -602.070 Base-Backbone interact. energy: -1.003 local terms energy: -501.938727 where: bonds (distance) C4'-P energy: -90.320 bonds (distance) P-C4' energy: -72.026 flat angles C4'-P-C4' energy: -109.103 flat angles P-C4'-P energy: -73.043 tors. eta vs tors. theta energy: -157.447 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: 9 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1773.091810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.091810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.091810 (E_RNA) where: Base-Base interactions energy: -1276.611 where: short stacking energy: -605.987 Base-Backbone interact. energy: -1.899 local terms energy: -494.582099 where: bonds (distance) C4'-P energy: -84.020 bonds (distance) P-C4' energy: -86.636 flat angles C4'-P-C4' energy: -102.243 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -158.270 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: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1668.051567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.051567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.051567 (E_RNA) where: Base-Base interactions energy: -1193.888 where: short stacking energy: -540.316 Base-Backbone interact. energy: -1.077 local terms energy: -473.087174 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -80.770 flat angles C4'-P-C4' energy: -99.967 flat angles P-C4'-P energy: -57.669 tors. eta vs tors. theta energy: -147.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1647.363031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.363031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.363031 (E_RNA) where: Base-Base interactions energy: -1199.339 where: short stacking energy: -526.428 Base-Backbone interact. energy: -0.699 local terms energy: -447.324259 where: bonds (distance) C4'-P energy: -74.507 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -89.343 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -147.266 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: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1573.166817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.166817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.166817 (E_RNA) where: Base-Base interactions energy: -1129.232 where: short stacking energy: -530.705 Base-Backbone interact. energy: -2.129 local terms energy: -441.804897 where: bonds (distance) C4'-P energy: -69.812 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -94.240 flat angles P-C4'-P energy: -65.907 tors. eta vs tors. theta energy: -131.682 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: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1480.689408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.689408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.689408 (E_RNA) where: Base-Base interactions energy: -1073.810 where: short stacking energy: -479.245 Base-Backbone interact. energy: -3.157 local terms energy: -403.722865 where: bonds (distance) C4'-P energy: -66.082 bonds (distance) P-C4' energy: -76.792 flat angles C4'-P-C4' energy: -89.189 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -116.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1460.404688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.404688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.404688 (E_RNA) where: Base-Base interactions energy: -1055.906 where: short stacking energy: -504.227 Base-Backbone interact. energy: -2.261 local terms energy: -402.237486 where: bonds (distance) C4'-P energy: -72.846 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -92.431 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -123.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1008.363197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.363197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.363197 (E_RNA) where: Base-Base interactions energy: -662.327 where: short stacking energy: -340.806 Base-Backbone interact. energy: -0.861 local terms energy: -345.175573 where: bonds (distance) C4'-P energy: -80.865 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -71.599 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -62.705 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: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1912.186281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.186281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.186281 (E_RNA) where: Base-Base interactions energy: -1366.005 where: short stacking energy: -617.648 Base-Backbone interact. energy: -0.234 local terms energy: -545.948102 where: bonds (distance) C4'-P energy: -84.451 bonds (distance) P-C4' energy: -94.940 flat angles C4'-P-C4' energy: -114.739 flat angles P-C4'-P energy: -81.636 tors. eta vs tors. theta energy: -170.182 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: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1856.295136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.295136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.295136 (E_RNA) where: Base-Base interactions energy: -1325.848 where: short stacking energy: -606.915 Base-Backbone interact. energy: -1.481 local terms energy: -528.966767 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -95.849 flat angles C4'-P-C4' energy: -108.020 flat angles P-C4'-P energy: -80.484 tors. eta vs tors. theta energy: -159.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1829.346886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.346886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.346886 (E_RNA) where: Base-Base interactions energy: -1327.773 where: short stacking energy: -608.825 Base-Backbone interact. energy: -2.267 local terms energy: -499.307253 where: bonds (distance) C4'-P energy: -82.689 bonds (distance) P-C4' energy: -80.057 flat angles C4'-P-C4' energy: -110.103 flat angles P-C4'-P energy: -68.757 tors. eta vs tors. theta energy: -157.701 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: 9 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1760.291362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.291362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.291362 (E_RNA) where: Base-Base interactions energy: -1254.590 where: short stacking energy: -560.017 Base-Backbone interact. energy: -2.803 local terms energy: -502.898250 where: bonds (distance) C4'-P energy: -82.956 bonds (distance) P-C4' energy: -84.312 flat angles C4'-P-C4' energy: -113.822 flat angles P-C4'-P energy: -70.306 tors. eta vs tors. theta energy: -151.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1678.179368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.179368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.179368 (E_RNA) where: Base-Base interactions energy: -1197.770 where: short stacking energy: -572.814 Base-Backbone interact. energy: 2.679 local terms energy: -483.087931 where: bonds (distance) C4'-P energy: -72.587 bonds (distance) P-C4' energy: -94.241 flat angles C4'-P-C4' energy: -105.970 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: -155.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1650.009017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.009017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.009017 (E_RNA) where: Base-Base interactions energy: -1173.164 where: short stacking energy: -506.826 Base-Backbone interact. energy: -1.410 local terms energy: -475.435064 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -101.652 flat angles P-C4'-P energy: -75.232 tors. eta vs tors. theta energy: -136.846 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: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1573.682570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.682570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.682570 (E_RNA) where: Base-Base interactions energy: -1115.642 where: short stacking energy: -524.434 Base-Backbone interact. energy: -0.118 local terms energy: -457.922747 where: bonds (distance) C4'-P energy: -76.069 bonds (distance) P-C4' energy: -90.036 flat angles C4'-P-C4' energy: -87.344 flat angles P-C4'-P energy: -66.375 tors. eta vs tors. theta energy: -138.098 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: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1493.543998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.543998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.543998 (E_RNA) where: Base-Base interactions energy: -1079.541 where: short stacking energy: -495.844 Base-Backbone interact. energy: 0.714 local terms energy: -414.716779 where: bonds (distance) C4'-P energy: -72.695 bonds (distance) P-C4' energy: -79.016 flat angles C4'-P-C4' energy: -86.465 flat angles P-C4'-P energy: -56.222 tors. eta vs tors. theta energy: -120.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1430.445334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.445334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.445334 (E_RNA) where: Base-Base interactions energy: -1001.161 where: short stacking energy: -462.105 Base-Backbone interact. energy: -0.661 local terms energy: -428.623417 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -59.426 flat angles C4'-P-C4' energy: -98.642 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: -118.984 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: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1015.815026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.815026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.815026 (E_RNA) where: Base-Base interactions energy: -683.187 where: short stacking energy: -344.981 Base-Backbone interact. energy: 0.825 local terms energy: -333.452889 where: bonds (distance) C4'-P energy: -62.515 bonds (distance) P-C4' energy: -77.068 flat angles C4'-P-C4' energy: -77.351 flat angles P-C4'-P energy: -43.288 tors. eta vs tors. theta energy: -73.231 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: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1952.598772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.598772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.598772 (E_RNA) where: Base-Base interactions energy: -1398.296 where: short stacking energy: -649.614 Base-Backbone interact. energy: -0.734 local terms energy: -553.568460 where: bonds (distance) C4'-P energy: -97.114 bonds (distance) P-C4' energy: -97.146 flat angles C4'-P-C4' energy: -115.137 flat angles P-C4'-P energy: -71.950 tors. eta vs tors. theta energy: -172.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1852.703937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.703937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.703937 (E_RNA) where: Base-Base interactions energy: -1324.087 where: short stacking energy: -597.337 Base-Backbone interact. energy: -1.166 local terms energy: -527.451544 where: bonds (distance) C4'-P energy: -81.451 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -112.488 flat angles P-C4'-P energy: -72.057 tors. eta vs tors. theta energy: -164.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1835.127456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.127456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.127456 (E_RNA) where: Base-Base interactions energy: -1322.413 where: short stacking energy: -601.768 Base-Backbone interact. energy: -1.416 local terms energy: -511.297821 where: bonds (distance) C4'-P energy: -79.648 bonds (distance) P-C4' energy: -92.020 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -73.197 tors. eta vs tors. theta energy: -160.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1741.283766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.283766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.283766 (E_RNA) where: Base-Base interactions energy: -1232.116 where: short stacking energy: -574.576 Base-Backbone interact. energy: -2.130 local terms energy: -507.037738 where: bonds (distance) C4'-P energy: -94.684 bonds (distance) P-C4' energy: -85.988 flat angles C4'-P-C4' energy: -108.633 flat angles P-C4'-P energy: -69.901 tors. eta vs tors. theta energy: -147.831 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: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1729.658372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.658372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.658372 (E_RNA) where: Base-Base interactions energy: -1253.407 where: short stacking energy: -542.230 Base-Backbone interact. energy: -0.855 local terms energy: -475.396708 where: bonds (distance) C4'-P energy: -94.143 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -100.013 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: -139.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1646.229730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.229730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.229730 (E_RNA) where: Base-Base interactions energy: -1191.496 where: short stacking energy: -562.627 Base-Backbone interact. energy: -1.964 local terms energy: -452.769543 where: bonds (distance) C4'-P energy: -67.701 bonds (distance) P-C4' energy: -83.941 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: -150.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1528.830491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.830491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.830491 (E_RNA) where: Base-Base interactions energy: -1073.581 where: short stacking energy: -477.272 Base-Backbone interact. energy: -1.560 local terms energy: -453.689998 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -75.937 flat angles C4'-P-C4' energy: -105.019 flat angles P-C4'-P energy: -70.058 tors. eta vs tors. theta energy: -123.537 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: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1511.514457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.514457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.514457 (E_RNA) where: Base-Base interactions energy: -1067.234 where: short stacking energy: -487.710 Base-Backbone interact. energy: -2.550 local terms energy: -441.730683 where: bonds (distance) C4'-P energy: -79.707 bonds (distance) P-C4' energy: -78.997 flat angles C4'-P-C4' energy: -80.376 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -132.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1368.209664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.209664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.209664 (E_RNA) where: Base-Base interactions energy: -955.930 where: short stacking energy: -422.016 Base-Backbone interact. energy: 0.881 local terms energy: -413.161558 where: bonds (distance) C4'-P energy: -73.576 bonds (distance) P-C4' energy: -81.781 flat angles C4'-P-C4' energy: -90.743 flat angles P-C4'-P energy: -55.658 tors. eta vs tors. theta energy: -111.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1057.248043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.248043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.248043 (E_RNA) where: Base-Base interactions energy: -694.081 where: short stacking energy: -342.043 Base-Backbone interact. energy: 3.736 local terms energy: -366.902313 where: bonds (distance) C4'-P energy: -68.835 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -71.467 flat angles P-C4'-P energy: -60.605 tors. eta vs tors. theta energy: -80.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1945.019106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.019106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.019106 (E_RNA) where: Base-Base interactions energy: -1387.788 where: short stacking energy: -652.138 Base-Backbone interact. energy: -0.899 local terms energy: -556.332090 where: bonds (distance) C4'-P energy: -96.384 bonds (distance) P-C4' energy: -98.916 flat angles C4'-P-C4' energy: -111.838 flat angles P-C4'-P energy: -73.974 tors. eta vs tors. theta energy: -175.220 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: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1845.542232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.542232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.542232 (E_RNA) where: Base-Base interactions energy: -1325.512 where: short stacking energy: -611.420 Base-Backbone interact. energy: -0.865 local terms energy: -519.164537 where: bonds (distance) C4'-P energy: -83.723 bonds (distance) P-C4' energy: -90.712 flat angles C4'-P-C4' energy: -109.623 flat angles P-C4'-P energy: -76.776 tors. eta vs tors. theta energy: -158.330 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: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1851.092159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.092159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.092159 (E_RNA) where: Base-Base interactions energy: -1317.528 where: short stacking energy: -600.757 Base-Backbone interact. energy: -0.595 local terms energy: -532.968927 where: bonds (distance) C4'-P energy: -91.576 bonds (distance) P-C4' energy: -95.491 flat angles C4'-P-C4' energy: -110.423 flat angles P-C4'-P energy: -70.332 tors. eta vs tors. theta energy: -165.146 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: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1790.933073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.933073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.933073 (E_RNA) where: Base-Base interactions energy: -1291.601 where: short stacking energy: -569.279 Base-Backbone interact. energy: -2.805 local terms energy: -496.526486 where: bonds (distance) C4'-P energy: -87.548 bonds (distance) P-C4' energy: -88.491 flat angles C4'-P-C4' energy: -104.576 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -147.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1712.911139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.911139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.911139 (E_RNA) where: Base-Base interactions energy: -1243.157 where: short stacking energy: -555.191 Base-Backbone interact. energy: -2.373 local terms energy: -467.381239 where: bonds (distance) C4'-P energy: -83.250 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -99.379 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -148.684 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: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1621.453273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.453273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.453273 (E_RNA) where: Base-Base interactions energy: -1138.183 where: short stacking energy: -520.900 Base-Backbone interact. energy: -3.244 local terms energy: -480.026056 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -101.313 flat angles C4'-P-C4' energy: -103.248 flat angles P-C4'-P energy: -51.924 tors. eta vs tors. theta energy: -145.979 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: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1553.972279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.972279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.972279 (E_RNA) where: Base-Base interactions energy: -1104.919 where: short stacking energy: -494.616 Base-Backbone interact. energy: -1.669 local terms energy: -447.384177 where: bonds (distance) C4'-P energy: -76.255 bonds (distance) P-C4' energy: -78.894 flat angles C4'-P-C4' energy: -94.900 flat angles P-C4'-P energy: -63.397 tors. eta vs tors. theta energy: -133.938 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: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1463.390136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.390136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.390136 (E_RNA) where: Base-Base interactions energy: -1044.304 where: short stacking energy: -474.048 Base-Backbone interact. energy: 1.468 local terms energy: -420.554852 where: bonds (distance) C4'-P energy: -77.737 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -84.796 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -123.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1396.109730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.109730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.109730 (E_RNA) where: Base-Base interactions energy: -968.375 where: short stacking energy: -432.705 Base-Backbone interact. energy: -2.093 local terms energy: -425.641429 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -74.743 flat angles C4'-P-C4' energy: -97.413 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -110.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1013.980812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.980812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.980812 (E_RNA) where: Base-Base interactions energy: -705.563 where: short stacking energy: -325.962 Base-Backbone interact. energy: 3.049 local terms energy: -311.467229 where: bonds (distance) C4'-P energy: -65.494 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -65.620 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -59.975 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: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1877.248993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.248993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.248993 (E_RNA) where: Base-Base interactions energy: -1337.341 where: short stacking energy: -598.856 Base-Backbone interact. energy: -2.404 local terms energy: -537.503560 where: bonds (distance) C4'-P energy: -93.964 bonds (distance) P-C4' energy: -95.338 flat angles C4'-P-C4' energy: -116.034 flat angles P-C4'-P energy: -77.749 tors. eta vs tors. theta energy: -154.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1887.356579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.356579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.356579 (E_RNA) where: Base-Base interactions energy: -1368.297 where: short stacking energy: -638.553 Base-Backbone interact. energy: -0.640 local terms energy: -518.420045 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -75.963 flat angles C4'-P-C4' energy: -107.580 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: -168.522 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: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1828.493664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.493664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.493664 (E_RNA) where: Base-Base interactions energy: -1301.469 where: short stacking energy: -600.915 Base-Backbone interact. energy: -1.157 local terms energy: -525.868542 where: bonds (distance) C4'-P energy: -92.922 bonds (distance) P-C4' energy: -87.754 flat angles C4'-P-C4' energy: -108.982 flat angles P-C4'-P energy: -74.171 tors. eta vs tors. theta energy: -162.039 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: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1762.027181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.027181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.027181 (E_RNA) where: Base-Base interactions energy: -1272.852 where: short stacking energy: -563.939 Base-Backbone interact. energy: -3.427 local terms energy: -485.748156 where: bonds (distance) C4'-P energy: -65.597 bonds (distance) P-C4' energy: -96.251 flat angles C4'-P-C4' energy: -104.812 flat angles P-C4'-P energy: -70.144 tors. eta vs tors. theta energy: -148.943 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: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1687.686364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.686364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.686364 (E_RNA) where: Base-Base interactions energy: -1186.668 where: short stacking energy: -550.915 Base-Backbone interact. energy: -2.237 local terms energy: -498.781447 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -77.798 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -66.447 tors. eta vs tors. theta energy: -154.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1678.584838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.584838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.584838 (E_RNA) where: Base-Base interactions energy: -1193.243 where: short stacking energy: -555.847 Base-Backbone interact. energy: -2.166 local terms energy: -483.176369 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -81.993 flat angles C4'-P-C4' energy: -98.620 flat angles P-C4'-P energy: -64.372 tors. eta vs tors. theta energy: -146.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1540.361454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.361454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.361454 (E_RNA) where: Base-Base interactions energy: -1106.183 where: short stacking energy: -523.256 Base-Backbone interact. energy: 5.476 local terms energy: -439.654660 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -85.175 flat angles C4'-P-C4' energy: -96.795 flat angles P-C4'-P energy: -58.042 tors. eta vs tors. theta energy: -138.071 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: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1497.077273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.077273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.077273 (E_RNA) where: Base-Base interactions energy: -1081.951 where: short stacking energy: -458.677 Base-Backbone interact. energy: -2.188 local terms energy: -412.937540 where: bonds (distance) C4'-P energy: -74.935 bonds (distance) P-C4' energy: -73.730 flat angles C4'-P-C4' energy: -92.568 flat angles P-C4'-P energy: -46.712 tors. eta vs tors. theta energy: -124.992 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: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1425.789950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.789950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.789950 (E_RNA) where: Base-Base interactions energy: -992.595 where: short stacking energy: -461.032 Base-Backbone interact. energy: -1.810 local terms energy: -431.384737 where: bonds (distance) C4'-P energy: -75.755 bonds (distance) P-C4' energy: -77.817 flat angles C4'-P-C4' energy: -104.028 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -115.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1072.119881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.119881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.119881 (E_RNA) where: Base-Base interactions energy: -718.621 where: short stacking energy: -316.092 Base-Backbone interact. energy: -0.962 local terms energy: -352.537180 where: bonds (distance) C4'-P energy: -78.712 bonds (distance) P-C4' energy: -82.927 flat angles C4'-P-C4' energy: -79.037 flat angles P-C4'-P energy: -45.175 tors. eta vs tors. theta energy: -66.686 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: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1888.388332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.388332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.388332 (E_RNA) where: Base-Base interactions energy: -1352.268 where: short stacking energy: -613.625 Base-Backbone interact. energy: -1.491 local terms energy: -534.629215 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -92.320 flat angles C4'-P-C4' energy: -107.173 flat angles P-C4'-P energy: -77.877 tors. eta vs tors. theta energy: -158.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1898.127921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.127921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.127921 (E_RNA) where: Base-Base interactions energy: -1369.430 where: short stacking energy: -636.644 Base-Backbone interact. energy: -0.081 local terms energy: -528.616850 where: bonds (distance) C4'-P energy: -103.127 bonds (distance) P-C4' energy: -81.949 flat angles C4'-P-C4' energy: -106.491 flat angles P-C4'-P energy: -72.519 tors. eta vs tors. theta energy: -164.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1810.466253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.466253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.466253 (E_RNA) where: Base-Base interactions energy: -1297.515 where: short stacking energy: -603.986 Base-Backbone interact. energy: 0.222 local terms energy: -513.173909 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -89.927 flat angles C4'-P-C4' energy: -109.434 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: -157.623 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: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1744.738074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.738074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.738074 (E_RNA) where: Base-Base interactions energy: -1259.444 where: short stacking energy: -558.564 Base-Backbone interact. energy: -2.003 local terms energy: -483.291183 where: bonds (distance) C4'-P energy: -84.348 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -99.984 flat angles P-C4'-P energy: -62.726 tors. eta vs tors. theta energy: -147.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1727.654683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.654683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.654683 (E_RNA) where: Base-Base interactions energy: -1259.280 where: short stacking energy: -583.885 Base-Backbone interact. energy: -2.195 local terms energy: -466.180069 where: bonds (distance) C4'-P energy: -67.202 bonds (distance) P-C4' energy: -72.114 flat angles C4'-P-C4' energy: -101.392 flat angles P-C4'-P energy: -63.482 tors. eta vs tors. theta energy: -161.990 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: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1642.845968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.845968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.845968 (E_RNA) where: Base-Base interactions energy: -1167.433 where: short stacking energy: -529.574 Base-Backbone interact. energy: 0.847 local terms energy: -476.260522 where: bonds (distance) C4'-P energy: -87.579 bonds (distance) P-C4' energy: -76.117 flat angles C4'-P-C4' energy: -101.129 flat angles P-C4'-P energy: -66.430 tors. eta vs tors. theta energy: -145.005 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: 161 Temperature: 1.200000 Total energy: -1592.782226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.782226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.782226 (E_RNA) where: Base-Base interactions energy: -1140.092 where: short stacking energy: -541.845 Base-Backbone interact. energy: -1.874 local terms energy: -450.817008 where: bonds (distance) C4'-P energy: -67.464 bonds (distance) P-C4' energy: -87.257 flat angles C4'-P-C4' energy: -88.611 flat angles P-C4'-P energy: -64.183 tors. eta vs tors. theta energy: -143.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1540.097506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.097506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.097506 (E_RNA) where: Base-Base interactions energy: -1124.688 where: short stacking energy: -497.971 Base-Backbone interact. energy: -1.453 local terms energy: -413.956633 where: bonds (distance) C4'-P energy: -74.141 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -88.039 flat angles P-C4'-P energy: -63.959 tors. eta vs tors. theta energy: -128.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1393.417405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.417405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.417405 (E_RNA) where: Base-Base interactions energy: -970.969 where: short stacking energy: -442.712 Base-Backbone interact. energy: 1.293 local terms energy: -423.741250 where: bonds (distance) C4'-P energy: -73.057 bonds (distance) P-C4' energy: -85.782 flat angles C4'-P-C4' energy: -94.074 flat angles P-C4'-P energy: -60.100 tors. eta vs tors. theta energy: -110.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1007.902817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.902817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.902817 (E_RNA) where: Base-Base interactions energy: -681.565 where: short stacking energy: -305.415 Base-Backbone interact. energy: -1.075 local terms energy: -325.262635 where: bonds (distance) C4'-P energy: -73.520 bonds (distance) P-C4' energy: -83.922 flat angles C4'-P-C4' energy: -87.929 flat angles P-C4'-P energy: -32.822 tors. eta vs tors. theta energy: -47.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1940.080222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.080222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.080222 (E_RNA) where: Base-Base interactions energy: -1386.423 where: short stacking energy: -654.103 Base-Backbone interact. energy: -0.982 local terms energy: -552.675202 where: bonds (distance) C4'-P energy: -93.537 bonds (distance) P-C4' energy: -97.737 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -173.425 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: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1861.360307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.360307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.360307 (E_RNA) where: Base-Base interactions energy: -1319.132 where: short stacking energy: -585.006 Base-Backbone interact. energy: -1.311 local terms energy: -540.916895 where: bonds (distance) C4'-P energy: -93.116 bonds (distance) P-C4' energy: -95.267 flat angles C4'-P-C4' energy: -115.708 flat angles P-C4'-P energy: -77.284 tors. eta vs tors. theta energy: -159.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1832.401330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.401330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.401330 (E_RNA) where: Base-Base interactions energy: -1304.616 where: short stacking energy: -613.946 Base-Backbone interact. energy: -1.838 local terms energy: -525.947297 where: bonds (distance) C4'-P energy: -97.228 bonds (distance) P-C4' energy: -93.394 flat angles C4'-P-C4' energy: -100.142 flat angles P-C4'-P energy: -72.081 tors. eta vs tors. theta energy: -163.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1794.586504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.586504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.586504 (E_RNA) where: Base-Base interactions energy: -1296.911 where: short stacking energy: -573.003 Base-Backbone interact. energy: -1.922 local terms energy: -495.753049 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -82.334 flat angles C4'-P-C4' energy: -108.003 flat angles P-C4'-P energy: -80.119 tors. eta vs tors. theta energy: -149.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1683.798967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.798967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.798967 (E_RNA) where: Base-Base interactions energy: -1190.391 where: short stacking energy: -541.490 Base-Backbone interact. energy: -1.697 local terms energy: -491.711043 where: bonds (distance) C4'-P energy: -84.340 bonds (distance) P-C4' energy: -86.804 flat angles C4'-P-C4' energy: -105.099 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -155.315 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: 162 Temperature: 1.150000 Total energy: -1653.678644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.678644 (E_RNA) where: Base-Base interactions energy: -1198.059 where: short stacking energy: -540.148 Base-Backbone interact. energy: -0.841 local terms energy: -454.778138 where: bonds (distance) C4'-P energy: -73.083 bonds (distance) P-C4' energy: -87.998 flat angles C4'-P-C4' energy: -99.861 flat angles P-C4'-P energy: -48.161 tors. eta vs tors. theta energy: -145.675 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: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1569.361221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.361221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.361221 (E_RNA) where: Base-Base interactions energy: -1119.996 where: short stacking energy: -515.561 Base-Backbone interact. energy: -2.646 local terms energy: -446.719045 where: bonds (distance) C4'-P energy: -71.383 bonds (distance) P-C4' energy: -79.705 flat angles C4'-P-C4' energy: -93.688 flat angles P-C4'-P energy: -60.707 tors. eta vs tors. theta energy: -141.236 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: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1495.976126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.976126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.976126 (E_RNA) where: Base-Base interactions energy: -1057.164 where: short stacking energy: -460.270 Base-Backbone interact. energy: -2.816 local terms energy: -435.996802 where: bonds (distance) C4'-P energy: -76.275 bonds (distance) P-C4' energy: -79.311 flat angles C4'-P-C4' energy: -86.801 flat angles P-C4'-P energy: -70.282 tors. eta vs tors. theta energy: -123.328 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: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1405.048353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.048353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.048353 (E_RNA) where: Base-Base interactions energy: -994.500 where: short stacking energy: -445.270 Base-Backbone interact. energy: 0.146 local terms energy: -410.694378 where: bonds (distance) C4'-P energy: -72.732 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -82.132 flat angles P-C4'-P energy: -45.370 tors. eta vs tors. theta energy: -119.088 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -969.423886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.423886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.423886 (E_RNA) where: Base-Base interactions energy: -641.802 where: short stacking energy: -318.287 Base-Backbone interact. energy: -1.551 local terms energy: -326.071542 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -86.365 flat angles C4'-P-C4' energy: -74.856 flat angles P-C4'-P energy: -49.519 tors. eta vs tors. theta energy: -46.621 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: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1945.176376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.176376 (E_RNA) where: Base-Base interactions energy: -1385.530 where: short stacking energy: -640.056 Base-Backbone interact. energy: -0.998 local terms energy: -558.647931 where: bonds (distance) C4'-P energy: -96.844 bonds (distance) P-C4' energy: -103.116 flat angles C4'-P-C4' energy: -107.699 flat angles P-C4'-P energy: -78.611 tors. eta vs tors. theta energy: -172.379 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: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1860.361766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.361766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.361766 (E_RNA) where: Base-Base interactions energy: -1336.340 where: short stacking energy: -616.215 Base-Backbone interact. energy: -0.049 local terms energy: -523.973313 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -97.239 flat angles C4'-P-C4' energy: -105.165 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -158.959 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: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1821.829550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.829550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.829550 (E_RNA) where: Base-Base interactions energy: -1306.370 where: short stacking energy: -592.208 Base-Backbone interact. energy: -3.415 local terms energy: -512.045380 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -87.494 flat angles C4'-P-C4' energy: -106.028 flat angles P-C4'-P energy: -69.549 tors. eta vs tors. theta energy: -160.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1766.826141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.826141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.826141 (E_RNA) where: Base-Base interactions energy: -1278.051 where: short stacking energy: -563.827 Base-Backbone interact. energy: -3.319 local terms energy: -485.456240 where: bonds (distance) C4'-P energy: -86.225 bonds (distance) P-C4' energy: -84.521 flat angles C4'-P-C4' energy: -104.628 flat angles P-C4'-P energy: -63.316 tors. eta vs tors. theta energy: -146.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1703.494578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.494578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.494578 (E_RNA) where: Base-Base interactions energy: -1214.424 where: short stacking energy: -552.488 Base-Backbone interact. energy: -0.099 local terms energy: -488.971229 where: bonds (distance) C4'-P energy: -77.249 bonds (distance) P-C4' energy: -94.630 flat angles C4'-P-C4' energy: -104.809 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -147.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1690.435912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.435912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.435912 (E_RNA) where: Base-Base interactions energy: -1201.997 where: short stacking energy: -550.695 Base-Backbone interact. energy: -2.747 local terms energy: -485.691704 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -100.957 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -148.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1534.395115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.395115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.395115 (E_RNA) where: Base-Base interactions energy: -1079.767 where: short stacking energy: -491.458 Base-Backbone interact. energy: -1.934 local terms energy: -452.693692 where: bonds (distance) C4'-P energy: -79.821 bonds (distance) P-C4' energy: -85.747 flat angles C4'-P-C4' energy: -103.038 flat angles P-C4'-P energy: -53.236 tors. eta vs tors. theta energy: -130.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1524.512053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.512053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.512053 (E_RNA) where: Base-Base interactions energy: -1083.783 where: short stacking energy: -472.039 Base-Backbone interact. energy: -1.615 local terms energy: -439.113906 where: bonds (distance) C4'-P energy: -67.485 bonds (distance) P-C4' energy: -79.848 flat angles C4'-P-C4' energy: -99.266 flat angles P-C4'-P energy: -60.596 tors. eta vs tors. theta energy: -131.919 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: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1392.555456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.555456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.555456 (E_RNA) where: Base-Base interactions energy: -992.215 where: short stacking energy: -451.623 Base-Backbone interact. energy: -0.949 local terms energy: -399.391477 where: bonds (distance) C4'-P energy: -71.747 bonds (distance) P-C4' energy: -66.899 flat angles C4'-P-C4' energy: -89.670 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -119.809 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: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1003.425487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.425487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.425487 (E_RNA) where: Base-Base interactions energy: -648.392 where: short stacking energy: -345.586 Base-Backbone interact. energy: -2.407 local terms energy: -352.626815 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -66.492 flat angles C4'-P-C4' energy: -79.211 flat angles P-C4'-P energy: -67.233 tors. eta vs tors. theta energy: -69.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1943.076100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.076100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.076100 (E_RNA) where: Base-Base interactions energy: -1378.486 where: short stacking energy: -639.615 Base-Backbone interact. energy: -1.142 local terms energy: -563.448327 where: bonds (distance) C4'-P energy: -99.084 bonds (distance) P-C4' energy: -99.647 flat angles C4'-P-C4' energy: -114.520 flat angles P-C4'-P energy: -79.649 tors. eta vs tors. theta energy: -170.548 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: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1858.660363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.660363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.660363 (E_RNA) where: Base-Base interactions energy: -1328.854 where: short stacking energy: -611.038 Base-Backbone interact. energy: -0.751 local terms energy: -529.055036 where: bonds (distance) C4'-P energy: -94.881 bonds (distance) P-C4' energy: -91.994 flat angles C4'-P-C4' energy: -106.683 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -158.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1812.963209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.963209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.963209 (E_RNA) where: Base-Base interactions energy: -1307.988 where: short stacking energy: -571.164 Base-Backbone interact. energy: -3.109 local terms energy: -501.866214 where: bonds (distance) C4'-P energy: -83.481 bonds (distance) P-C4' energy: -80.901 flat angles C4'-P-C4' energy: -107.000 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -148.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1787.355550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.355550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.355550 (E_RNA) where: Base-Base interactions energy: -1282.653 where: short stacking energy: -571.225 Base-Backbone interact. energy: -2.508 local terms energy: -502.193734 where: bonds (distance) C4'-P energy: -78.026 bonds (distance) P-C4' energy: -86.390 flat angles C4'-P-C4' energy: -109.820 flat angles P-C4'-P energy: -67.576 tors. eta vs tors. theta energy: -160.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1709.760126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.760126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.760126 (E_RNA) where: Base-Base interactions energy: -1221.099 where: short stacking energy: -558.658 Base-Backbone interact. energy: -3.639 local terms energy: -485.022345 where: bonds (distance) C4'-P energy: -84.391 bonds (distance) P-C4' energy: -82.914 flat angles C4'-P-C4' energy: -106.107 flat angles P-C4'-P energy: -63.192 tors. eta vs tors. theta energy: -148.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1660.263604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.263604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.263604 (E_RNA) where: Base-Base interactions energy: -1173.857 where: short stacking energy: -552.438 Base-Backbone interact. energy: -1.718 local terms energy: -484.688720 where: bonds (distance) C4'-P energy: -70.778 bonds (distance) P-C4' energy: -85.219 flat angles C4'-P-C4' energy: -108.953 flat angles P-C4'-P energy: -65.428 tors. eta vs tors. theta energy: -154.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1535.554335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.554335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.554335 (E_RNA) where: Base-Base interactions energy: -1067.831 where: short stacking energy: -506.006 Base-Backbone interact. energy: -2.187 local terms energy: -465.536494 where: bonds (distance) C4'-P energy: -85.866 bonds (distance) P-C4' energy: -80.370 flat angles C4'-P-C4' energy: -110.634 flat angles P-C4'-P energy: -60.406 tors. eta vs tors. theta energy: -128.260 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1448.150224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.150224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.150224 (E_RNA) where: Base-Base interactions energy: -1038.263 where: short stacking energy: -480.388 Base-Backbone interact. energy: -4.605 local terms energy: -405.282363 where: bonds (distance) C4'-P energy: -58.803 bonds (distance) P-C4' energy: -90.907 flat angles C4'-P-C4' energy: -85.039 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -110.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1449.098649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.098649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.098649 (E_RNA) where: Base-Base interactions energy: -1013.327 where: short stacking energy: -457.203 Base-Backbone interact. energy: 2.201 local terms energy: -437.972982 where: bonds (distance) C4'-P energy: -75.636 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -88.345 flat angles P-C4'-P energy: -61.158 tors. eta vs tors. theta energy: -131.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1025.214007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.214007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.214007 (E_RNA) where: Base-Base interactions energy: -686.807 where: short stacking energy: -347.353 Base-Backbone interact. energy: -0.241 local terms energy: -338.166037 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -89.581 flat angles C4'-P-C4' energy: -67.236 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -70.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1922.948758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.948758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.948758 (E_RNA) where: Base-Base interactions energy: -1376.540 where: short stacking energy: -638.419 Base-Backbone interact. energy: -0.275 local terms energy: -546.134603 where: bonds (distance) C4'-P energy: -98.851 bonds (distance) P-C4' energy: -88.454 flat angles C4'-P-C4' energy: -118.548 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -166.989 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: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1852.372091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.372091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.372091 (E_RNA) where: Base-Base interactions energy: -1330.855 where: short stacking energy: -593.914 Base-Backbone interact. energy: -4.106 local terms energy: -517.411922 where: bonds (distance) C4'-P energy: -88.894 bonds (distance) P-C4' energy: -94.053 flat angles C4'-P-C4' energy: -103.221 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: -151.939 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: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1793.582839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.582839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.582839 (E_RNA) where: Base-Base interactions energy: -1280.804 where: short stacking energy: -553.926 Base-Backbone interact. energy: -5.155 local terms energy: -507.624076 where: bonds (distance) C4'-P energy: -92.172 bonds (distance) P-C4' energy: -96.361 flat angles C4'-P-C4' energy: -91.277 flat angles P-C4'-P energy: -79.331 tors. eta vs tors. theta energy: -148.483 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1788.042679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.042679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.042679 (E_RNA) where: Base-Base interactions energy: -1296.089 where: short stacking energy: -602.294 Base-Backbone interact. energy: -0.714 local terms energy: -491.239549 where: bonds (distance) C4'-P energy: -80.220 bonds (distance) P-C4' energy: -81.344 flat angles C4'-P-C4' energy: -103.697 flat angles P-C4'-P energy: -63.320 tors. eta vs tors. theta energy: -162.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1698.039643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.039643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.039643 (E_RNA) where: Base-Base interactions energy: -1216.542 where: short stacking energy: -563.073 Base-Backbone interact. energy: -1.246 local terms energy: -480.251639 where: bonds (distance) C4'-P energy: -74.472 bonds (distance) P-C4' energy: -89.249 flat angles C4'-P-C4' energy: -107.135 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -150.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1605.370700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.370700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.370700 (E_RNA) where: Base-Base interactions energy: -1159.369 where: short stacking energy: -529.640 Base-Backbone interact. energy: -1.376 local terms energy: -444.626229 where: bonds (distance) C4'-P energy: -74.263 bonds (distance) P-C4' energy: -89.265 flat angles C4'-P-C4' energy: -96.541 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -135.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1600.207166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.207166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.207166 (E_RNA) where: Base-Base interactions energy: -1140.844 where: short stacking energy: -518.939 Base-Backbone interact. energy: 1.137 local terms energy: -460.500405 where: bonds (distance) C4'-P energy: -85.537 bonds (distance) P-C4' energy: -71.064 flat angles C4'-P-C4' energy: -98.499 flat angles P-C4'-P energy: -72.706 tors. eta vs tors. theta energy: -132.696 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: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1504.146348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.146348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.146348 (E_RNA) where: Base-Base interactions energy: -1087.183 where: short stacking energy: -469.526 Base-Backbone interact. energy: -0.999 local terms energy: -415.964048 where: bonds (distance) C4'-P energy: -83.120 bonds (distance) P-C4' energy: -67.641 flat angles C4'-P-C4' energy: -86.591 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -126.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1445.045227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.045227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.045227 (E_RNA) where: Base-Base interactions energy: -1045.328 where: short stacking energy: -468.849 Base-Backbone interact. energy: -0.256 local terms energy: -399.460591 where: bonds (distance) C4'-P energy: -63.463 bonds (distance) P-C4' energy: -69.368 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -57.345 tors. eta vs tors. theta energy: -125.277 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: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1014.051123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.051123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.051123 (E_RNA) where: Base-Base interactions energy: -674.958 where: short stacking energy: -335.086 Base-Backbone interact. energy: -4.071 local terms energy: -335.022592 where: bonds (distance) C4'-P energy: -82.687 bonds (distance) P-C4' energy: -74.884 flat angles C4'-P-C4' energy: -75.183 flat angles P-C4'-P energy: -34.632 tors. eta vs tors. theta energy: -67.637 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: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1925.622073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.622073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.622073 (E_RNA) where: Base-Base interactions energy: -1393.485 where: short stacking energy: -639.565 Base-Backbone interact. energy: 0.161 local terms energy: -532.297720 where: bonds (distance) C4'-P energy: -84.553 bonds (distance) P-C4' energy: -92.797 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -76.501 tors. eta vs tors. theta energy: -168.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1862.223722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.223722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.223722 (E_RNA) where: Base-Base interactions energy: -1340.352 where: short stacking energy: -632.453 Base-Backbone interact. energy: -0.334 local terms energy: -521.537414 where: bonds (distance) C4'-P energy: -87.355 bonds (distance) P-C4' energy: -94.181 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: -161.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1783.260555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.260555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.260555 (E_RNA) where: Base-Base interactions energy: -1296.733 where: short stacking energy: -574.799 Base-Backbone interact. energy: -4.707 local terms energy: -481.820288 where: bonds (distance) C4'-P energy: -79.540 bonds (distance) P-C4' energy: -90.231 flat angles C4'-P-C4' energy: -111.228 flat angles P-C4'-P energy: -50.036 tors. eta vs tors. theta energy: -150.785 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: 166 Temperature: 1.050000 Total energy: -1812.393911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.393911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.393911 (E_RNA) where: Base-Base interactions energy: -1299.027 where: short stacking energy: -592.697 Base-Backbone interact. energy: -1.039 local terms energy: -512.327526 where: bonds (distance) C4'-P energy: -88.731 bonds (distance) P-C4' energy: -90.437 flat angles C4'-P-C4' energy: -102.017 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -166.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1691.159685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.159685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.159685 (E_RNA) where: Base-Base interactions energy: -1201.086 where: short stacking energy: -564.740 Base-Backbone interact. energy: -4.517 local terms energy: -485.556115 where: bonds (distance) C4'-P energy: -65.026 bonds (distance) P-C4' energy: -79.080 flat angles C4'-P-C4' energy: -112.015 flat angles P-C4'-P energy: -73.191 tors. eta vs tors. theta energy: -156.244 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: 166 Temperature: 1.150000 Total energy: -1628.093623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.093623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.093623 (E_RNA) where: Base-Base interactions energy: -1172.561 where: short stacking energy: -526.947 Base-Backbone interact. energy: -0.938 local terms energy: -454.594640 where: bonds (distance) C4'-P energy: -73.385 bonds (distance) P-C4' energy: -75.335 flat angles C4'-P-C4' energy: -110.719 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -137.997 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: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1595.982647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.982647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.982647 (E_RNA) where: Base-Base interactions energy: -1151.159 where: short stacking energy: -506.470 Base-Backbone interact. energy: -1.070 local terms energy: -443.752946 where: bonds (distance) C4'-P energy: -68.260 bonds (distance) P-C4' energy: -91.291 flat angles C4'-P-C4' energy: -88.446 flat angles P-C4'-P energy: -61.691 tors. eta vs tors. theta energy: -134.064 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: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1530.376636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.376636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.376636 (E_RNA) where: Base-Base interactions energy: -1101.131 where: short stacking energy: -510.799 Base-Backbone interact. energy: -1.521 local terms energy: -427.724012 where: bonds (distance) C4'-P energy: -66.421 bonds (distance) P-C4' energy: -73.629 flat angles C4'-P-C4' energy: -96.246 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -140.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1469.126355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.126355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.126355 (E_RNA) where: Base-Base interactions energy: -1029.818 where: short stacking energy: -484.255 Base-Backbone interact. energy: -1.099 local terms energy: -438.209995 where: bonds (distance) C4'-P energy: -81.725 bonds (distance) P-C4' energy: -72.091 flat angles C4'-P-C4' energy: -91.902 flat angles P-C4'-P energy: -64.389 tors. eta vs tors. theta energy: -128.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -989.369313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.369313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.369313 (E_RNA) where: Base-Base interactions energy: -656.834 where: short stacking energy: -322.542 Base-Backbone interact. energy: -0.959 local terms energy: -331.576669 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -65.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1922.180295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.180295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.180295 (E_RNA) where: Base-Base interactions energy: -1389.069 where: short stacking energy: -650.996 Base-Backbone interact. energy: -0.581 local terms energy: -532.530969 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -83.673 flat angles C4'-P-C4' energy: -113.100 flat angles P-C4'-P energy: -78.946 tors. eta vs tors. theta energy: -168.987 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: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1858.297756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.297756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.297756 (E_RNA) where: Base-Base interactions energy: -1332.058 where: short stacking energy: -604.253 Base-Backbone interact. energy: 1.348 local terms energy: -527.587925 where: bonds (distance) C4'-P energy: -86.671 bonds (distance) P-C4' energy: -92.099 flat angles C4'-P-C4' energy: -109.171 flat angles P-C4'-P energy: -76.925 tors. eta vs tors. theta energy: -162.722 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: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1812.524758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.524758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.524758 (E_RNA) where: Base-Base interactions energy: -1304.483 where: short stacking energy: -546.682 Base-Backbone interact. energy: -1.945 local terms energy: -506.096668 where: bonds (distance) C4'-P energy: -80.318 bonds (distance) P-C4' energy: -90.941 flat angles C4'-P-C4' energy: -110.717 flat angles P-C4'-P energy: -75.521 tors. eta vs tors. theta energy: -148.600 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: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1766.980168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.980168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.980168 (E_RNA) where: Base-Base interactions energy: -1256.603 where: short stacking energy: -556.205 Base-Backbone interact. energy: -3.346 local terms energy: -507.031322 where: bonds (distance) C4'-P energy: -93.734 bonds (distance) P-C4' energy: -87.786 flat angles C4'-P-C4' energy: -102.822 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -151.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1735.553334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.553334 (E_RNA) where: Base-Base interactions energy: -1251.081 where: short stacking energy: -579.666 Base-Backbone interact. energy: -2.558 local terms energy: -481.914552 where: bonds (distance) C4'-P energy: -79.758 bonds (distance) P-C4' energy: -72.252 flat angles C4'-P-C4' energy: -105.577 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: -159.478 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: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1655.860597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.860597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.860597 (E_RNA) where: Base-Base interactions energy: -1193.149 where: short stacking energy: -532.323 Base-Backbone interact. energy: -1.845 local terms energy: -460.867307 where: bonds (distance) C4'-P energy: -87.037 bonds (distance) P-C4' energy: -85.129 flat angles C4'-P-C4' energy: -100.173 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: -136.895 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: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1621.330724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.330724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.330724 (E_RNA) where: Base-Base interactions energy: -1162.619 where: short stacking energy: -529.638 Base-Backbone interact. energy: -1.329 local terms energy: -457.382129 where: bonds (distance) C4'-P energy: -77.844 bonds (distance) P-C4' energy: -83.973 flat angles C4'-P-C4' energy: -95.758 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -142.600 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: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1483.240573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.240573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.240573 (E_RNA) where: Base-Base interactions energy: -1031.195 where: short stacking energy: -477.492 Base-Backbone interact. energy: -0.808 local terms energy: -451.237222 where: bonds (distance) C4'-P energy: -72.745 bonds (distance) P-C4' energy: -95.864 flat angles C4'-P-C4' energy: -99.844 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: -121.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1511.489831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.489831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.489831 (E_RNA) where: Base-Base interactions energy: -1057.348 where: short stacking energy: -485.055 Base-Backbone interact. energy: -0.448 local terms energy: -453.694174 where: bonds (distance) C4'-P energy: -73.735 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -90.665 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: -133.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1062.504592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.504592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.504592 (E_RNA) where: Base-Base interactions energy: -711.637 where: short stacking energy: -340.766 Base-Backbone interact. energy: -0.053 local terms energy: -350.813924 where: bonds (distance) C4'-P energy: -67.026 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -84.465 flat angles P-C4'-P energy: -54.116 tors. eta vs tors. theta energy: -75.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1932.763395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.763395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.763395 (E_RNA) where: Base-Base interactions energy: -1376.053 where: short stacking energy: -647.959 Base-Backbone interact. energy: -1.140 local terms energy: -555.570597 where: bonds (distance) C4'-P energy: -94.089 bonds (distance) P-C4' energy: -100.469 flat angles C4'-P-C4' energy: -113.852 flat angles P-C4'-P energy: -78.161 tors. eta vs tors. theta energy: -169.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1853.394607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.394607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.394607 (E_RNA) where: Base-Base interactions energy: -1315.214 where: short stacking energy: -590.643 Base-Backbone interact. energy: -1.537 local terms energy: -536.642817 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -97.879 flat angles C4'-P-C4' energy: -107.363 flat angles P-C4'-P energy: -78.128 tors. eta vs tors. theta energy: -160.014 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: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1786.886424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.886424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.886424 (E_RNA) where: Base-Base interactions energy: -1281.516 where: short stacking energy: -546.062 Base-Backbone interact. energy: -0.979 local terms energy: -504.391251 where: bonds (distance) C4'-P energy: -93.682 bonds (distance) P-C4' energy: -95.046 flat angles C4'-P-C4' energy: -101.222 flat angles P-C4'-P energy: -63.278 tors. eta vs tors. theta energy: -151.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1761.481590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.481590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.481590 (E_RNA) where: Base-Base interactions energy: -1256.931 where: short stacking energy: -571.855 Base-Backbone interact. energy: -2.847 local terms energy: -501.703481 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -97.624 flat angles C4'-P-C4' energy: -112.209 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -144.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1711.946865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.946865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.946865 (E_RNA) where: Base-Base interactions energy: -1223.398 where: short stacking energy: -519.054 Base-Backbone interact. energy: -0.817 local terms energy: -487.731616 where: bonds (distance) C4'-P energy: -85.749 bonds (distance) P-C4' energy: -85.320 flat angles C4'-P-C4' energy: -109.977 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -139.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1726.897591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.897591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.897591 (E_RNA) where: Base-Base interactions energy: -1224.448 where: short stacking energy: -544.308 Base-Backbone interact. energy: 1.020 local terms energy: -503.469169 where: bonds (distance) C4'-P energy: -81.837 bonds (distance) P-C4' energy: -84.631 flat angles C4'-P-C4' energy: -109.725 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: -159.047 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: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1585.704344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.704344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.704344 (E_RNA) where: Base-Base interactions energy: -1132.573 where: short stacking energy: -512.816 Base-Backbone interact. energy: 1.325 local terms energy: -454.456781 where: bonds (distance) C4'-P energy: -73.904 bonds (distance) P-C4' energy: -87.505 flat angles C4'-P-C4' energy: -95.321 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -126.575 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: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1456.547703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.547703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.547703 (E_RNA) where: Base-Base interactions energy: -1025.786 where: short stacking energy: -488.964 Base-Backbone interact. energy: -1.367 local terms energy: -429.395021 where: bonds (distance) C4'-P energy: -80.283 bonds (distance) P-C4' energy: -85.364 flat angles C4'-P-C4' energy: -87.171 flat angles P-C4'-P energy: -53.036 tors. eta vs tors. theta energy: -123.541 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: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1511.465781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.465781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.465781 (E_RNA) where: Base-Base interactions energy: -1058.184 where: short stacking energy: -472.527 Base-Backbone interact. energy: -0.930 local terms energy: -452.351055 where: bonds (distance) C4'-P energy: -84.261 bonds (distance) P-C4' energy: -82.812 flat angles C4'-P-C4' energy: -85.676 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -130.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -978.846840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.846840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.846840 (E_RNA) where: Base-Base interactions energy: -648.747 where: short stacking energy: -303.574 Base-Backbone interact. energy: 1.026 local terms energy: -331.126348 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -78.555 flat angles C4'-P-C4' energy: -79.616 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -51.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1950.071025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.071025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.071025 (E_RNA) where: Base-Base interactions energy: -1405.981 where: short stacking energy: -652.979 Base-Backbone interact. energy: -1.458 local terms energy: -542.632069 where: bonds (distance) C4'-P energy: -89.367 bonds (distance) P-C4' energy: -89.425 flat angles C4'-P-C4' energy: -114.301 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: -169.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1850.750695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.750695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.750695 (E_RNA) where: Base-Base interactions energy: -1325.701 where: short stacking energy: -589.808 Base-Backbone interact. energy: -2.043 local terms energy: -523.006781 where: bonds (distance) C4'-P energy: -89.106 bonds (distance) P-C4' energy: -94.096 flat angles C4'-P-C4' energy: -105.827 flat angles P-C4'-P energy: -79.583 tors. eta vs tors. theta energy: -154.394 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: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1792.383790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.383790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.383790 (E_RNA) where: Base-Base interactions energy: -1311.519 where: short stacking energy: -572.877 Base-Backbone interact. energy: -2.825 local terms energy: -478.039778 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -81.087 flat angles C4'-P-C4' energy: -103.700 flat angles P-C4'-P energy: -81.675 tors. eta vs tors. theta energy: -146.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1734.460822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.460822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.460822 (E_RNA) where: Base-Base interactions energy: -1230.392 where: short stacking energy: -564.910 Base-Backbone interact. energy: -2.327 local terms energy: -501.742113 where: bonds (distance) C4'-P energy: -81.021 bonds (distance) P-C4' energy: -88.137 flat angles C4'-P-C4' energy: -108.664 flat angles P-C4'-P energy: -75.000 tors. eta vs tors. theta energy: -148.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1699.099716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.099716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.099716 (E_RNA) where: Base-Base interactions energy: -1235.010 where: short stacking energy: -531.852 Base-Backbone interact. energy: -1.602 local terms energy: -462.487885 where: bonds (distance) C4'-P energy: -87.520 bonds (distance) P-C4' energy: -79.520 flat angles C4'-P-C4' energy: -94.845 flat angles P-C4'-P energy: -61.642 tors. eta vs tors. theta energy: -138.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1714.227573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.227573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.227573 (E_RNA) where: Base-Base interactions energy: -1223.029 where: short stacking energy: -570.704 Base-Backbone interact. energy: -1.649 local terms energy: -489.549927 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -77.829 flat angles C4'-P-C4' energy: -105.407 flat angles P-C4'-P energy: -65.853 tors. eta vs tors. theta energy: -153.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1611.599959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.599959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.599959 (E_RNA) where: Base-Base interactions energy: -1137.127 where: short stacking energy: -530.550 Base-Backbone interact. energy: 2.400 local terms energy: -476.872778 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -87.345 flat angles C4'-P-C4' energy: -105.973 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: -138.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1492.434496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.434496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.434496 (E_RNA) where: Base-Base interactions energy: -1086.678 where: short stacking energy: -484.367 Base-Backbone interact. energy: -1.447 local terms energy: -404.309595 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -77.266 flat angles P-C4'-P energy: -55.814 tors. eta vs tors. theta energy: -124.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1460.616187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.616187 (E_RNA) where: Base-Base interactions energy: -1045.614 where: short stacking energy: -481.985 Base-Backbone interact. energy: -1.392 local terms energy: -413.609815 where: bonds (distance) C4'-P energy: -72.751 bonds (distance) P-C4' energy: -72.105 flat angles C4'-P-C4' energy: -90.541 flat angles P-C4'-P energy: -62.350 tors. eta vs tors. theta energy: -115.863 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: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1023.353125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.353125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.353125 (E_RNA) where: Base-Base interactions energy: -675.357 where: short stacking energy: -353.668 Base-Backbone interact. energy: -0.223 local terms energy: -347.773708 where: bonds (distance) C4'-P energy: -68.025 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -35.977 tors. eta vs tors. theta energy: -77.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1936.208571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.208571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.208571 (E_RNA) where: Base-Base interactions energy: -1389.745 where: short stacking energy: -649.938 Base-Backbone interact. energy: -0.896 local terms energy: -545.567651 where: bonds (distance) C4'-P energy: -91.696 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -114.973 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -175.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1863.182277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.182277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.182277 (E_RNA) where: Base-Base interactions energy: -1349.799 where: short stacking energy: -635.234 Base-Backbone interact. energy: 0.847 local terms energy: -514.229713 where: bonds (distance) C4'-P energy: -80.783 bonds (distance) P-C4' energy: -87.319 flat angles C4'-P-C4' energy: -114.400 flat angles P-C4'-P energy: -66.998 tors. eta vs tors. theta energy: -164.730 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: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1801.191821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.191821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.191821 (E_RNA) where: Base-Base interactions energy: -1295.340 where: short stacking energy: -574.241 Base-Backbone interact. energy: -1.871 local terms energy: -503.980393 where: bonds (distance) C4'-P energy: -92.334 bonds (distance) P-C4' energy: -84.950 flat angles C4'-P-C4' energy: -104.376 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -145.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1728.376808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.376808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.376808 (E_RNA) where: Base-Base interactions energy: -1228.083 where: short stacking energy: -559.450 Base-Backbone interact. energy: 1.391 local terms energy: -501.685421 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -91.171 flat angles C4'-P-C4' energy: -112.331 flat angles P-C4'-P energy: -75.541 tors. eta vs tors. theta energy: -144.919 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: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1741.247125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.247125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.247125 (E_RNA) where: Base-Base interactions energy: -1241.292 where: short stacking energy: -570.042 Base-Backbone interact. energy: -1.775 local terms energy: -498.179443 where: bonds (distance) C4'-P energy: -75.606 bonds (distance) P-C4' energy: -100.397 flat angles C4'-P-C4' energy: -102.278 flat angles P-C4'-P energy: -68.035 tors. eta vs tors. theta energy: -151.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1650.444646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.444646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.444646 (E_RNA) where: Base-Base interactions energy: -1180.017 where: short stacking energy: -522.291 Base-Backbone interact. energy: -1.656 local terms energy: -468.771883 where: bonds (distance) C4'-P energy: -85.293 bonds (distance) P-C4' energy: -80.210 flat angles C4'-P-C4' energy: -105.320 flat angles P-C4'-P energy: -53.958 tors. eta vs tors. theta energy: -143.991 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: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1607.833058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.833058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.833058 (E_RNA) where: Base-Base interactions energy: -1168.778 where: short stacking energy: -522.243 Base-Backbone interact. energy: 2.454 local terms energy: -441.508974 where: bonds (distance) C4'-P energy: -70.548 bonds (distance) P-C4' energy: -77.188 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -68.998 tors. eta vs tors. theta energy: -130.565 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: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1504.335789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.335789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.335789 (E_RNA) where: Base-Base interactions energy: -1066.956 where: short stacking energy: -475.874 Base-Backbone interact. energy: -0.460 local terms energy: -436.920183 where: bonds (distance) C4'-P energy: -77.022 bonds (distance) P-C4' energy: -81.387 flat angles C4'-P-C4' energy: -97.882 flat angles P-C4'-P energy: -49.693 tors. eta vs tors. theta energy: -130.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1458.136714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.136714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.136714 (E_RNA) where: Base-Base interactions energy: -1038.007 where: short stacking energy: -487.135 Base-Backbone interact. energy: -2.149 local terms energy: -417.980650 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -97.186 flat angles P-C4'-P energy: -43.168 tors. eta vs tors. theta energy: -123.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1041.467204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.467204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.467204 (E_RNA) where: Base-Base interactions energy: -697.130 where: short stacking energy: -367.141 Base-Backbone interact. energy: -3.539 local terms energy: -340.798467 where: bonds (distance) C4'-P energy: -72.247 bonds (distance) P-C4' energy: -82.940 flat angles C4'-P-C4' energy: -66.092 flat angles P-C4'-P energy: -46.816 tors. eta vs tors. theta energy: -72.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1939.891636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.891636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.891636 (E_RNA) where: Base-Base interactions energy: -1398.558 where: short stacking energy: -632.132 Base-Backbone interact. energy: 0.011 local terms energy: -541.344862 where: bonds (distance) C4'-P energy: -97.671 bonds (distance) P-C4' energy: -91.744 flat angles C4'-P-C4' energy: -110.486 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -168.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1880.906092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.906092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.906092 (E_RNA) where: Base-Base interactions energy: -1348.181 where: short stacking energy: -606.790 Base-Backbone interact. energy: -0.068 local terms energy: -532.657211 where: bonds (distance) C4'-P energy: -86.960 bonds (distance) P-C4' energy: -97.377 flat angles C4'-P-C4' energy: -116.664 flat angles P-C4'-P energy: -73.042 tors. eta vs tors. theta energy: -158.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1796.974953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.974953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.974953 (E_RNA) where: Base-Base interactions energy: -1297.134 where: short stacking energy: -577.391 Base-Backbone interact. energy: -0.562 local terms energy: -499.278767 where: bonds (distance) C4'-P energy: -80.375 bonds (distance) P-C4' energy: -81.817 flat angles C4'-P-C4' energy: -112.774 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: -152.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1775.158010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.158010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.158010 (E_RNA) where: Base-Base interactions energy: -1284.309 where: short stacking energy: -579.743 Base-Backbone interact. energy: -3.198 local terms energy: -487.650733 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -88.042 flat angles C4'-P-C4' energy: -102.208 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -152.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1706.777166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.777166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.777166 (E_RNA) where: Base-Base interactions energy: -1223.937 where: short stacking energy: -563.808 Base-Backbone interact. energy: -2.590 local terms energy: -480.249763 where: bonds (distance) C4'-P energy: -79.637 bonds (distance) P-C4' energy: -69.218 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -71.347 tors. eta vs tors. theta energy: -147.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1700.637936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.637936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.637936 (E_RNA) where: Base-Base interactions energy: -1217.094 where: short stacking energy: -551.204 Base-Backbone interact. energy: -1.713 local terms energy: -481.831484 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -82.655 flat angles C4'-P-C4' energy: -101.733 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -150.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1570.452784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.452784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.452784 (E_RNA) where: Base-Base interactions energy: -1133.244 where: short stacking energy: -489.065 Base-Backbone interact. energy: -2.548 local terms energy: -434.661225 where: bonds (distance) C4'-P energy: -83.647 bonds (distance) P-C4' energy: -78.593 flat angles C4'-P-C4' energy: -88.967 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -124.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1522.658780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.658780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.658780 (E_RNA) where: Base-Base interactions energy: -1093.707 where: short stacking energy: -510.820 Base-Backbone interact. energy: -1.891 local terms energy: -427.060410 where: bonds (distance) C4'-P energy: -82.298 bonds (distance) P-C4' energy: -68.981 flat angles C4'-P-C4' energy: -93.878 flat angles P-C4'-P energy: -49.299 tors. eta vs tors. theta energy: -132.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1461.903019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.903019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.903019 (E_RNA) where: Base-Base interactions energy: -1038.407 where: short stacking energy: -501.584 Base-Backbone interact. energy: -0.607 local terms energy: -422.888959 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -80.964 flat angles C4'-P-C4' energy: -82.653 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -131.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1106.444073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.444073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.444073 (E_RNA) where: Base-Base interactions energy: -741.559 where: short stacking energy: -389.761 Base-Backbone interact. energy: -2.286 local terms energy: -362.599316 where: bonds (distance) C4'-P energy: -58.263 bonds (distance) P-C4' energy: -80.580 flat angles C4'-P-C4' energy: -73.850 flat angles P-C4'-P energy: -61.841 tors. eta vs tors. theta energy: -88.066 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: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1927.146688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.146688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.146688 (E_RNA) where: Base-Base interactions energy: -1382.967 where: short stacking energy: -625.218 Base-Backbone interact. energy: 0.184 local terms energy: -544.363424 where: bonds (distance) C4'-P energy: -92.772 bonds (distance) P-C4' energy: -105.828 flat angles C4'-P-C4' energy: -108.958 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -167.050 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: 2, replica: 7 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1851.957062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.957062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.957062 (E_RNA) where: Base-Base interactions energy: -1320.454 where: short stacking energy: -605.758 Base-Backbone interact. energy: -3.028 local terms energy: -528.475635 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -92.177 flat angles C4'-P-C4' energy: -105.660 flat angles P-C4'-P energy: -72.112 tors. eta vs tors. theta energy: -164.112 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: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1803.359267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.359267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.359267 (E_RNA) where: Base-Base interactions energy: -1281.868 where: short stacking energy: -547.804 Base-Backbone interact. energy: -1.933 local terms energy: -519.558061 where: bonds (distance) C4'-P energy: -87.407 bonds (distance) P-C4' energy: -103.038 flat angles C4'-P-C4' energy: -107.555 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -146.880 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: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1749.599063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.599063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.599063 (E_RNA) where: Base-Base interactions energy: -1249.046 where: short stacking energy: -586.488 Base-Backbone interact. energy: -2.442 local terms energy: -498.111180 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -71.985 tors. eta vs tors. theta energy: -160.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1715.642743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.642743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.642743 (E_RNA) where: Base-Base interactions energy: -1218.486 where: short stacking energy: -562.718 Base-Backbone interact. energy: -0.975 local terms energy: -496.182124 where: bonds (distance) C4'-P energy: -74.727 bonds (distance) P-C4' energy: -86.013 flat angles C4'-P-C4' energy: -105.568 flat angles P-C4'-P energy: -79.973 tors. eta vs tors. theta energy: -149.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1685.985696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.985696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.985696 (E_RNA) where: Base-Base interactions energy: -1214.569 where: short stacking energy: -541.534 Base-Backbone interact. energy: -0.124 local terms energy: -471.292571 where: bonds (distance) C4'-P energy: -76.626 bonds (distance) P-C4' energy: -78.549 flat angles C4'-P-C4' energy: -110.302 flat angles P-C4'-P energy: -71.198 tors. eta vs tors. theta energy: -134.617 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: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1600.854748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.854748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.854748 (E_RNA) where: Base-Base interactions energy: -1128.444 where: short stacking energy: -484.536 Base-Backbone interact. energy: 1.036 local terms energy: -473.446390 where: bonds (distance) C4'-P energy: -86.638 bonds (distance) P-C4' energy: -91.764 flat angles C4'-P-C4' energy: -105.523 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -136.879 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: 172 Temperature: 1.250000 Total energy: -1536.279743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.279743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.279743 (E_RNA) where: Base-Base interactions energy: -1140.231 where: short stacking energy: -526.670 Base-Backbone interact. energy: 1.380 local terms energy: -397.429309 where: bonds (distance) C4'-P energy: -54.095 bonds (distance) P-C4' energy: -51.287 flat angles C4'-P-C4' energy: -95.237 flat angles P-C4'-P energy: -58.828 tors. eta vs tors. theta energy: -137.982 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: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1471.338194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.338194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.338194 (E_RNA) where: Base-Base interactions energy: -1067.308 where: short stacking energy: -499.713 Base-Backbone interact. energy: 0.162 local terms energy: -404.192388 where: bonds (distance) C4'-P energy: -63.327 bonds (distance) P-C4' energy: -75.106 flat angles C4'-P-C4' energy: -92.127 flat angles P-C4'-P energy: -39.324 tors. eta vs tors. theta energy: -134.309 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1095.949747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.949747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.949747 (E_RNA) where: Base-Base interactions energy: -744.289 where: short stacking energy: -377.739 Base-Backbone interact. energy: -1.858 local terms energy: -349.802823 where: bonds (distance) C4'-P energy: -66.236 bonds (distance) P-C4' energy: -73.221 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -56.707 tors. eta vs tors. theta energy: -71.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1929.941267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.941267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.941267 (E_RNA) where: Base-Base interactions energy: -1380.404 where: short stacking energy: -635.745 Base-Backbone interact. energy: -1.562 local terms energy: -547.974867 where: bonds (distance) C4'-P energy: -97.047 bonds (distance) P-C4' energy: -99.506 flat angles C4'-P-C4' energy: -108.310 flat angles P-C4'-P energy: -74.746 tors. eta vs tors. theta energy: -168.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1834.968865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.968865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.968865 (E_RNA) where: Base-Base interactions energy: -1310.821 where: short stacking energy: -590.284 Base-Backbone interact. energy: -2.857 local terms energy: -521.291270 where: bonds (distance) C4'-P energy: -89.538 bonds (distance) P-C4' energy: -100.232 flat angles C4'-P-C4' energy: -110.022 flat angles P-C4'-P energy: -70.017 tors. eta vs tors. theta energy: -151.482 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: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1838.763411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.763411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.763411 (E_RNA) where: Base-Base interactions energy: -1307.976 where: short stacking energy: -595.057 Base-Backbone interact. energy: -1.307 local terms energy: -529.480370 where: bonds (distance) C4'-P energy: -90.497 bonds (distance) P-C4' energy: -93.679 flat angles C4'-P-C4' energy: -112.598 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -163.772 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: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1749.736495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.736495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.736495 (E_RNA) where: Base-Base interactions energy: -1234.768 where: short stacking energy: -572.796 Base-Backbone interact. energy: -1.498 local terms energy: -513.470319 where: bonds (distance) C4'-P energy: -86.068 bonds (distance) P-C4' energy: -90.879 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -64.296 tors. eta vs tors. theta energy: -160.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1714.522581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.522581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.522581 (E_RNA) where: Base-Base interactions energy: -1219.652 where: short stacking energy: -578.325 Base-Backbone interact. energy: -0.472 local terms energy: -494.398170 where: bonds (distance) C4'-P energy: -86.373 bonds (distance) P-C4' energy: -78.057 flat angles C4'-P-C4' energy: -105.480 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -157.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1715.191395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.191395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.191395 (E_RNA) where: Base-Base interactions energy: -1240.607 where: short stacking energy: -554.391 Base-Backbone interact. energy: -2.310 local terms energy: -472.274071 where: bonds (distance) C4'-P energy: -86.073 bonds (distance) P-C4' energy: -75.197 flat angles C4'-P-C4' energy: -101.758 flat angles P-C4'-P energy: -57.323 tors. eta vs tors. theta energy: -151.924 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: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1604.138531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.138531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.138531 (E_RNA) where: Base-Base interactions energy: -1159.531 where: short stacking energy: -506.134 Base-Backbone interact. energy: -2.571 local terms energy: -442.035941 where: bonds (distance) C4'-P energy: -71.562 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -88.932 flat angles P-C4'-P energy: -62.833 tors. eta vs tors. theta energy: -137.632 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: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1511.939488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.939488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.939488 (E_RNA) where: Base-Base interactions energy: -1089.235 where: short stacking energy: -507.605 Base-Backbone interact. energy: 0.952 local terms energy: -423.656605 where: bonds (distance) C4'-P energy: -78.720 bonds (distance) P-C4' energy: -72.747 flat angles C4'-P-C4' energy: -83.266 flat angles P-C4'-P energy: -54.018 tors. eta vs tors. theta energy: -134.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1391.668482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.668482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.668482 (E_RNA) where: Base-Base interactions energy: -985.139 where: short stacking energy: -444.896 Base-Backbone interact. energy: 3.632 local terms energy: -410.161312 where: bonds (distance) C4'-P energy: -69.166 bonds (distance) P-C4' energy: -76.699 flat angles C4'-P-C4' energy: -89.098 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -118.633 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: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1041.394480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.394480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.394480 (E_RNA) where: Base-Base interactions energy: -691.899 where: short stacking energy: -359.031 Base-Backbone interact. energy: -1.323 local terms energy: -348.172301 where: bonds (distance) C4'-P energy: -76.718 bonds (distance) P-C4' energy: -68.877 flat angles C4'-P-C4' energy: -73.493 flat angles P-C4'-P energy: -48.205 tors. eta vs tors. theta energy: -80.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1937.458590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.458590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.458590 (E_RNA) where: Base-Base interactions energy: -1389.896 where: short stacking energy: -634.386 Base-Backbone interact. energy: -1.396 local terms energy: -546.166270 where: bonds (distance) C4'-P energy: -89.994 bonds (distance) P-C4' energy: -94.053 flat angles C4'-P-C4' energy: -115.518 flat angles P-C4'-P energy: -79.010 tors. eta vs tors. theta energy: -167.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1817.205543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.205543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.205543 (E_RNA) where: Base-Base interactions energy: -1304.094 where: short stacking energy: -583.375 Base-Backbone interact. energy: 3.766 local terms energy: -516.877314 where: bonds (distance) C4'-P energy: -91.813 bonds (distance) P-C4' energy: -95.736 flat angles C4'-P-C4' energy: -110.867 flat angles P-C4'-P energy: -69.803 tors. eta vs tors. theta energy: -148.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1810.856916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.856916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.856916 (E_RNA) where: Base-Base interactions energy: -1287.384 where: short stacking energy: -585.990 Base-Backbone interact. energy: -3.595 local terms energy: -519.877468 where: bonds (distance) C4'-P energy: -82.255 bonds (distance) P-C4' energy: -100.684 flat angles C4'-P-C4' energy: -113.915 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -152.536 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: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1805.292831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.292831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.292831 (E_RNA) where: Base-Base interactions energy: -1288.133 where: short stacking energy: -572.545 Base-Backbone interact. energy: -1.812 local terms energy: -515.348434 where: bonds (distance) C4'-P energy: -88.759 bonds (distance) P-C4' energy: -87.231 flat angles C4'-P-C4' energy: -101.546 flat angles P-C4'-P energy: -79.036 tors. eta vs tors. theta energy: -158.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1738.876225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.876225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.876225 (E_RNA) where: Base-Base interactions energy: -1239.382 where: short stacking energy: -562.058 Base-Backbone interact. energy: -1.935 local terms energy: -497.558812 where: bonds (distance) C4'-P energy: -82.308 bonds (distance) P-C4' energy: -86.917 flat angles C4'-P-C4' energy: -103.549 flat angles P-C4'-P energy: -67.903 tors. eta vs tors. theta energy: -156.882 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: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1685.040404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.040404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.040404 (E_RNA) where: Base-Base interactions energy: -1195.594 where: short stacking energy: -522.139 Base-Backbone interact. energy: -1.480 local terms energy: -487.965821 where: bonds (distance) C4'-P energy: -69.713 bonds (distance) P-C4' energy: -94.576 flat angles C4'-P-C4' energy: -105.286 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -147.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1611.665678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.665678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.665678 (E_RNA) where: Base-Base interactions energy: -1153.474 where: short stacking energy: -510.697 Base-Backbone interact. energy: -0.706 local terms energy: -457.486292 where: bonds (distance) C4'-P energy: -79.895 bonds (distance) P-C4' energy: -86.128 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -67.087 tors. eta vs tors. theta energy: -144.720 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: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1538.844058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.844058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.844058 (E_RNA) where: Base-Base interactions energy: -1115.180 where: short stacking energy: -475.236 Base-Backbone interact. energy: 1.827 local terms energy: -425.491894 where: bonds (distance) C4'-P energy: -74.690 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -97.108 flat angles P-C4'-P energy: -48.672 tors. eta vs tors. theta energy: -132.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1424.493602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.493602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.493602 (E_RNA) where: Base-Base interactions energy: -976.822 where: short stacking energy: -426.971 Base-Backbone interact. energy: -0.928 local terms energy: -446.742901 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -82.944 flat angles C4'-P-C4' energy: -99.798 flat angles P-C4'-P energy: -66.540 tors. eta vs tors. theta energy: -125.039 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: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1077.681154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.681154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.681154 (E_RNA) where: Base-Base interactions energy: -735.832 where: short stacking energy: -334.917 Base-Backbone interact. energy: 0.351 local terms energy: -342.200257 where: bonds (distance) C4'-P energy: -68.722 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -85.190 flat angles P-C4'-P energy: -41.899 tors. eta vs tors. theta energy: -86.972 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: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1932.963465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.963465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.963465 (E_RNA) where: Base-Base interactions energy: -1390.498 where: short stacking energy: -627.831 Base-Backbone interact. energy: -1.561 local terms energy: -540.904168 where: bonds (distance) C4'-P energy: -84.617 bonds (distance) P-C4' energy: -94.977 flat angles C4'-P-C4' energy: -111.014 flat angles P-C4'-P energy: -80.575 tors. eta vs tors. theta energy: -169.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1829.779123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.779123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.779123 (E_RNA) where: Base-Base interactions energy: -1320.750 where: short stacking energy: -585.007 Base-Backbone interact. energy: -2.147 local terms energy: -506.882280 where: bonds (distance) C4'-P energy: -84.147 bonds (distance) P-C4' energy: -95.067 flat angles C4'-P-C4' energy: -102.042 flat angles P-C4'-P energy: -72.657 tors. eta vs tors. theta energy: -152.970 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: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1808.132154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.132154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.132154 (E_RNA) where: Base-Base interactions energy: -1297.822 where: short stacking energy: -606.814 Base-Backbone interact. energy: -3.804 local terms energy: -506.505410 where: bonds (distance) C4'-P energy: -94.639 bonds (distance) P-C4' energy: -85.010 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: -154.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1803.955211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.955211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.955211 (E_RNA) where: Base-Base interactions energy: -1296.012 where: short stacking energy: -590.497 Base-Backbone interact. energy: -1.463 local terms energy: -506.480648 where: bonds (distance) C4'-P energy: -76.215 bonds (distance) P-C4' energy: -87.550 flat angles C4'-P-C4' energy: -110.734 flat angles P-C4'-P energy: -71.002 tors. eta vs tors. theta energy: -160.979 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: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1722.041789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.041789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.041789 (E_RNA) where: Base-Base interactions energy: -1240.481 where: short stacking energy: -559.573 Base-Backbone interact. energy: -2.934 local terms energy: -478.627568 where: bonds (distance) C4'-P energy: -91.083 bonds (distance) P-C4' energy: -69.259 flat angles C4'-P-C4' energy: -102.542 flat angles P-C4'-P energy: -69.593 tors. eta vs tors. theta energy: -146.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1629.218743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.218743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.218743 (E_RNA) where: Base-Base interactions energy: -1164.388 where: short stacking energy: -513.345 Base-Backbone interact. energy: -2.244 local terms energy: -462.587092 where: bonds (distance) C4'-P energy: -74.638 bonds (distance) P-C4' energy: -93.092 flat angles C4'-P-C4' energy: -98.841 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -142.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1647.859504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.859504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.859504 (E_RNA) where: Base-Base interactions energy: -1201.409 where: short stacking energy: -534.168 Base-Backbone interact. energy: 0.768 local terms energy: -447.218668 where: bonds (distance) C4'-P energy: -78.374 bonds (distance) P-C4' energy: -64.751 flat angles C4'-P-C4' energy: -99.109 flat angles P-C4'-P energy: -59.054 tors. eta vs tors. theta energy: -145.930 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: 175 Temperature: 1.250000 Total energy: -1534.454241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.454241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.454241 (E_RNA) where: Base-Base interactions energy: -1089.173 where: short stacking energy: -518.014 Base-Backbone interact. energy: -1.434 local terms energy: -443.847474 where: bonds (distance) C4'-P energy: -59.730 bonds (distance) P-C4' energy: -78.145 flat angles C4'-P-C4' energy: -102.495 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -139.683 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: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1371.210681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.210681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.210681 (E_RNA) where: Base-Base interactions energy: -977.759 where: short stacking energy: -441.277 Base-Backbone interact. energy: -0.802 local terms energy: -392.649790 where: bonds (distance) C4'-P energy: -76.582 bonds (distance) P-C4' energy: -63.493 flat angles C4'-P-C4' energy: -89.547 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -115.044 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: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1135.913833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.913833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.913833 (E_RNA) where: Base-Base interactions energy: -765.944 where: short stacking energy: -374.393 Base-Backbone interact. energy: 0.512 local terms energy: -370.481432 where: bonds (distance) C4'-P energy: -71.216 bonds (distance) P-C4' energy: -88.395 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -82.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1937.857295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.857295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.857295 (E_RNA) where: Base-Base interactions energy: -1375.367 where: short stacking energy: -623.379 Base-Backbone interact. energy: 0.253 local terms energy: -562.742929 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -94.436 flat angles C4'-P-C4' energy: -115.925 flat angles P-C4'-P energy: -86.854 tors. eta vs tors. theta energy: -171.401 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: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1824.958249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.958249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.958249 (E_RNA) where: Base-Base interactions energy: -1312.040 where: short stacking energy: -566.029 Base-Backbone interact. energy: -1.172 local terms energy: -511.746131 where: bonds (distance) C4'-P energy: -92.164 bonds (distance) P-C4' energy: -79.875 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -74.382 tors. eta vs tors. theta energy: -148.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1832.018788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.018788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.018788 (E_RNA) where: Base-Base interactions energy: -1307.951 where: short stacking energy: -581.405 Base-Backbone interact. energy: 2.706 local terms energy: -526.773847 where: bonds (distance) C4'-P energy: -87.945 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -108.115 flat angles P-C4'-P energy: -63.599 tors. eta vs tors. theta energy: -166.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1773.633947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.633947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.633947 (E_RNA) where: Base-Base interactions energy: -1273.076 where: short stacking energy: -583.426 Base-Backbone interact. energy: -0.560 local terms energy: -499.997597 where: bonds (distance) C4'-P energy: -82.344 bonds (distance) P-C4' energy: -85.021 flat angles C4'-P-C4' energy: -107.406 flat angles P-C4'-P energy: -65.617 tors. eta vs tors. theta energy: -159.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1652.230765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.230765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.230765 (E_RNA) where: Base-Base interactions energy: -1178.524 where: short stacking energy: -512.598 Base-Backbone interact. energy: -2.118 local terms energy: -471.588177 where: bonds (distance) C4'-P energy: -95.728 bonds (distance) P-C4' energy: -78.742 flat angles C4'-P-C4' energy: -96.340 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -137.799 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: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1675.774859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.774859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.774859 (E_RNA) where: Base-Base interactions energy: -1201.767 where: short stacking energy: -544.516 Base-Backbone interact. energy: -1.828 local terms energy: -472.179161 where: bonds (distance) C4'-P energy: -76.382 bonds (distance) P-C4' energy: -81.705 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -150.024 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: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1612.491706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.491706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.491706 (E_RNA) where: Base-Base interactions energy: -1140.282 where: short stacking energy: -498.491 Base-Backbone interact. energy: -1.958 local terms energy: -470.251650 where: bonds (distance) C4'-P energy: -81.214 bonds (distance) P-C4' energy: -81.141 flat angles C4'-P-C4' energy: -97.404 flat angles P-C4'-P energy: -64.808 tors. eta vs tors. theta energy: -145.685 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: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1542.742457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.742457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.742457 (E_RNA) where: Base-Base interactions energy: -1109.396 where: short stacking energy: -507.130 Base-Backbone interact. energy: -1.227 local terms energy: -432.119073 where: bonds (distance) C4'-P energy: -75.320 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -89.457 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -127.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1382.715884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.715884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.715884 (E_RNA) where: Base-Base interactions energy: -952.226 where: short stacking energy: -433.509 Base-Backbone interact. energy: -1.274 local terms energy: -429.215235 where: bonds (distance) C4'-P energy: -92.781 bonds (distance) P-C4' energy: -87.619 flat angles C4'-P-C4' energy: -83.949 flat angles P-C4'-P energy: -48.766 tors. eta vs tors. theta energy: -116.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1133.550959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.550959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.550959 (E_RNA) where: Base-Base interactions energy: -752.851 where: short stacking energy: -353.421 Base-Backbone interact. energy: -2.071 local terms energy: -378.628668 where: bonds (distance) C4'-P energy: -82.875 bonds (distance) P-C4' energy: -72.771 flat angles C4'-P-C4' energy: -85.224 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: -93.957 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: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1928.523783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.523783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.523783 (E_RNA) where: Base-Base interactions energy: -1381.412 where: short stacking energy: -635.218 Base-Backbone interact. energy: -0.088 local terms energy: -547.023288 where: bonds (distance) C4'-P energy: -93.096 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -112.443 flat angles P-C4'-P energy: -75.585 tors. eta vs tors. theta energy: -171.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1867.758251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.758251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.758251 (E_RNA) where: Base-Base interactions energy: -1337.656 where: short stacking energy: -604.251 Base-Backbone interact. energy: -1.815 local terms energy: -528.286911 where: bonds (distance) C4'-P energy: -91.105 bonds (distance) P-C4' energy: -93.193 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -70.690 tors. eta vs tors. theta energy: -159.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1798.033894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.033894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.033894 (E_RNA) where: Base-Base interactions energy: -1299.575 where: short stacking energy: -567.726 Base-Backbone interact. energy: -1.059 local terms energy: -497.400491 where: bonds (distance) C4'-P energy: -86.958 bonds (distance) P-C4' energy: -81.881 flat angles C4'-P-C4' energy: -107.919 flat angles P-C4'-P energy: -75.365 tors. eta vs tors. theta energy: -145.277 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: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1759.579170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.579170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.579170 (E_RNA) where: Base-Base interactions energy: -1258.829 where: short stacking energy: -591.223 Base-Backbone interact. energy: -1.282 local terms energy: -499.468286 where: bonds (distance) C4'-P energy: -81.234 bonds (distance) P-C4' energy: -86.435 flat angles C4'-P-C4' energy: -111.904 flat angles P-C4'-P energy: -69.398 tors. eta vs tors. theta energy: -150.497 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: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1664.303069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.303069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.303069 (E_RNA) where: Base-Base interactions energy: -1187.221 where: short stacking energy: -520.395 Base-Backbone interact. energy: -2.953 local terms energy: -474.129141 where: bonds (distance) C4'-P energy: -84.542 bonds (distance) P-C4' energy: -93.697 flat angles C4'-P-C4' energy: -102.356 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -131.633 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: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1677.899116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.899116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.899116 (E_RNA) where: Base-Base interactions energy: -1183.457 where: short stacking energy: -539.073 Base-Backbone interact. energy: 0.569 local terms energy: -495.011560 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -89.915 flat angles C4'-P-C4' energy: -97.071 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -146.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1619.583409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.583409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.583409 (E_RNA) where: Base-Base interactions energy: -1149.132 where: short stacking energy: -539.769 Base-Backbone interact. energy: 2.301 local terms energy: -472.752373 where: bonds (distance) C4'-P energy: -76.420 bonds (distance) P-C4' energy: -87.876 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -68.052 tors. eta vs tors. theta energy: -148.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1421.096598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.096598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.096598 (E_RNA) where: Base-Base interactions energy: -998.082 where: short stacking energy: -459.562 Base-Backbone interact. energy: -0.390 local terms energy: -422.625019 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -84.477 flat angles C4'-P-C4' energy: -85.522 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -117.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1497.729957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.729957 (E_RNA) where: Base-Base interactions energy: -1061.981 where: short stacking energy: -495.719 Base-Backbone interact. energy: 1.744 local terms energy: -437.493063 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -80.942 flat angles C4'-P-C4' energy: -100.544 flat angles P-C4'-P energy: -52.790 tors. eta vs tors. theta energy: -132.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1156.954232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.954232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.954232 (E_RNA) where: Base-Base interactions energy: -810.121 where: short stacking energy: -376.407 Base-Backbone interact. energy: -1.407 local terms energy: -345.425907 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -67.473 flat angles C4'-P-C4' energy: -66.133 flat angles P-C4'-P energy: -39.473 tors. eta vs tors. theta energy: -87.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1947.225780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.225780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.225780 (E_RNA) where: Base-Base interactions energy: -1382.022 where: short stacking energy: -652.757 Base-Backbone interact. energy: -0.718 local terms energy: -564.485499 where: bonds (distance) C4'-P energy: -101.233 bonds (distance) P-C4' energy: -88.945 flat angles C4'-P-C4' energy: -116.694 flat angles P-C4'-P energy: -80.825 tors. eta vs tors. theta energy: -176.789 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: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1839.123167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.123167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.123167 (E_RNA) where: Base-Base interactions energy: -1312.124 where: short stacking energy: -599.500 Base-Backbone interact. energy: -0.993 local terms energy: -526.006420 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -88.575 flat angles C4'-P-C4' energy: -110.687 flat angles P-C4'-P energy: -69.955 tors. eta vs tors. theta energy: -160.275 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: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1795.802007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.802007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.802007 (E_RNA) where: Base-Base interactions energy: -1274.215 where: short stacking energy: -565.796 Base-Backbone interact. energy: -2.101 local terms energy: -519.486109 where: bonds (distance) C4'-P energy: -88.999 bonds (distance) P-C4' energy: -93.623 flat angles C4'-P-C4' energy: -113.351 flat angles P-C4'-P energy: -75.975 tors. eta vs tors. theta energy: -147.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1754.306598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.306598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.306598 (E_RNA) where: Base-Base interactions energy: -1241.056 where: short stacking energy: -563.620 Base-Backbone interact. energy: -1.429 local terms energy: -511.821022 where: bonds (distance) C4'-P energy: -89.804 bonds (distance) P-C4' energy: -94.739 flat angles C4'-P-C4' energy: -103.913 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -155.114 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: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1728.142090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.142090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.142090 (E_RNA) where: Base-Base interactions energy: -1245.248 where: short stacking energy: -564.040 Base-Backbone interact. energy: -3.316 local terms energy: -479.577474 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -99.201 flat angles C4'-P-C4' energy: -103.514 flat angles P-C4'-P energy: -64.835 tors. eta vs tors. theta energy: -146.466 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: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1663.858784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.858784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.858784 (E_RNA) where: Base-Base interactions energy: -1193.797 where: short stacking energy: -538.920 Base-Backbone interact. energy: -0.081 local terms energy: -469.980328 where: bonds (distance) C4'-P energy: -91.045 bonds (distance) P-C4' energy: -86.538 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -65.681 tors. eta vs tors. theta energy: -138.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1610.033088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.033088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.033088 (E_RNA) where: Base-Base interactions energy: -1167.638 where: short stacking energy: -537.269 Base-Backbone interact. energy: -1.210 local terms energy: -441.184985 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -84.023 flat angles C4'-P-C4' energy: -90.532 flat angles P-C4'-P energy: -58.718 tors. eta vs tors. theta energy: -140.860 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: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1484.041355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.041355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.041355 (E_RNA) where: Base-Base interactions energy: -1067.053 where: short stacking energy: -491.056 Base-Backbone interact. energy: -0.485 local terms energy: -416.503683 where: bonds (distance) C4'-P energy: -60.957 bonds (distance) P-C4' energy: -75.725 flat angles C4'-P-C4' energy: -91.427 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -131.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1500.832089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.832089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.832089 (E_RNA) where: Base-Base interactions energy: -1070.871 where: short stacking energy: -479.037 Base-Backbone interact. energy: -3.147 local terms energy: -426.813968 where: bonds (distance) C4'-P energy: -80.693 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -104.720 flat angles P-C4'-P energy: -47.558 tors. eta vs tors. theta energy: -131.679 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: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1149.199807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.199807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.199807 (E_RNA) where: Base-Base interactions energy: -798.481 where: short stacking energy: -390.459 Base-Backbone interact. energy: -0.854 local terms energy: -349.864620 where: bonds (distance) C4'-P energy: -61.440 bonds (distance) P-C4' energy: -70.026 flat angles C4'-P-C4' energy: -82.984 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -89.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1947.247689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.247689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.247689 (E_RNA) where: Base-Base interactions energy: -1393.054 where: short stacking energy: -635.893 Base-Backbone interact. energy: -2.125 local terms energy: -552.069016 where: bonds (distance) C4'-P energy: -101.103 bonds (distance) P-C4' energy: -89.252 flat angles C4'-P-C4' energy: -114.224 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -169.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1834.912814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.912814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.912814 (E_RNA) where: Base-Base interactions energy: -1296.347 where: short stacking energy: -601.160 Base-Backbone interact. energy: -1.047 local terms energy: -537.519236 where: bonds (distance) C4'-P energy: -85.419 bonds (distance) P-C4' energy: -96.595 flat angles C4'-P-C4' energy: -115.360 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -163.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1794.823036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.823036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.823036 (E_RNA) where: Base-Base interactions energy: -1300.362 where: short stacking energy: -567.942 Base-Backbone interact. energy: -4.480 local terms energy: -489.981013 where: bonds (distance) C4'-P energy: -89.563 bonds (distance) P-C4' energy: -85.680 flat angles C4'-P-C4' energy: -103.494 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -140.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1764.032684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.032684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.032684 (E_RNA) where: Base-Base interactions energy: -1273.919 where: short stacking energy: -594.516 Base-Backbone interact. energy: -0.518 local terms energy: -489.595468 where: bonds (distance) C4'-P energy: -89.867 bonds (distance) P-C4' energy: -93.664 flat angles C4'-P-C4' energy: -101.022 flat angles P-C4'-P energy: -56.203 tors. eta vs tors. theta energy: -148.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1716.386372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.386372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.386372 (E_RNA) where: Base-Base interactions energy: -1224.996 where: short stacking energy: -556.860 Base-Backbone interact. energy: -1.871 local terms energy: -489.519492 where: bonds (distance) C4'-P energy: -80.367 bonds (distance) P-C4' energy: -90.516 flat angles C4'-P-C4' energy: -96.218 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -150.373 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: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1631.012056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.012056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.012056 (E_RNA) where: Base-Base interactions energy: -1169.184 where: short stacking energy: -513.157 Base-Backbone interact. energy: -1.367 local terms energy: -460.461471 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -76.659 flat angles C4'-P-C4' energy: -107.623 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: -132.835 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: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1607.795027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.795027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.795027 (E_RNA) where: Base-Base interactions energy: -1159.169 where: short stacking energy: -524.882 Base-Backbone interact. energy: 0.313 local terms energy: -448.939521 where: bonds (distance) C4'-P energy: -53.790 bonds (distance) P-C4' energy: -86.422 flat angles C4'-P-C4' energy: -100.153 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -142.562 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: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1508.134644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.134644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.134644 (E_RNA) where: Base-Base interactions energy: -1080.819 where: short stacking energy: -480.810 Base-Backbone interact. energy: -1.869 local terms energy: -425.446919 where: bonds (distance) C4'-P energy: -61.836 bonds (distance) P-C4' energy: -71.137 flat angles C4'-P-C4' energy: -98.876 flat angles P-C4'-P energy: -64.794 tors. eta vs tors. theta energy: -128.805 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: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1420.751518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.751518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.751518 (E_RNA) where: Base-Base interactions energy: -1013.122 where: short stacking energy: -454.822 Base-Backbone interact. energy: -2.174 local terms energy: -405.455472 where: bonds (distance) C4'-P energy: -51.568 bonds (distance) P-C4' energy: -74.935 flat angles C4'-P-C4' energy: -89.501 flat angles P-C4'-P energy: -60.042 tors. eta vs tors. theta energy: -129.410 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: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1197.723666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.723666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.723666 (E_RNA) where: Base-Base interactions energy: -828.622 where: short stacking energy: -387.235 Base-Backbone interact. energy: -2.437 local terms energy: -366.664780 where: bonds (distance) C4'-P energy: -68.438 bonds (distance) P-C4' energy: -77.547 flat angles C4'-P-C4' energy: -79.195 flat angles P-C4'-P energy: -51.606 tors. eta vs tors. theta energy: -89.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1948.454709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.454709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.454709 (E_RNA) where: Base-Base interactions energy: -1390.436 where: short stacking energy: -628.222 Base-Backbone interact. energy: -2.537 local terms energy: -555.481377 where: bonds (distance) C4'-P energy: -94.139 bonds (distance) P-C4' energy: -92.835 flat angles C4'-P-C4' energy: -116.934 flat angles P-C4'-P energy: -86.061 tors. eta vs tors. theta energy: -165.512 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: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1877.658943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.658943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.658943 (E_RNA) where: Base-Base interactions energy: -1349.261 where: short stacking energy: -607.423 Base-Backbone interact. energy: -2.272 local terms energy: -526.125657 where: bonds (distance) C4'-P energy: -89.002 bonds (distance) P-C4' energy: -91.716 flat angles C4'-P-C4' energy: -106.488 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: -165.016 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: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1807.770408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.770408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.770408 (E_RNA) where: Base-Base interactions energy: -1297.509 where: short stacking energy: -591.907 Base-Backbone interact. energy: -1.446 local terms energy: -508.815195 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -103.444 flat angles P-C4'-P energy: -77.881 tors. eta vs tors. theta energy: -151.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1766.680804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.680804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.680804 (E_RNA) where: Base-Base interactions energy: -1268.333 where: short stacking energy: -591.034 Base-Backbone interact. energy: 1.047 local terms energy: -499.394255 where: bonds (distance) C4'-P energy: -91.487 bonds (distance) P-C4' energy: -88.699 flat angles C4'-P-C4' energy: -101.552 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: -149.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1695.632211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.632211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.632211 (E_RNA) where: Base-Base interactions energy: -1219.805 where: short stacking energy: -515.527 Base-Backbone interact. energy: -0.627 local terms energy: -475.200096 where: bonds (distance) C4'-P energy: -83.393 bonds (distance) P-C4' energy: -90.229 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -58.864 tors. eta vs tors. theta energy: -137.565 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: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1670.363494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.363494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.363494 (E_RNA) where: Base-Base interactions energy: -1216.191 where: short stacking energy: -555.997 Base-Backbone interact. energy: -0.942 local terms energy: -453.230317 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -63.364 flat angles C4'-P-C4' energy: -103.068 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -151.691 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: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1564.545187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.545187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.545187 (E_RNA) where: Base-Base interactions energy: -1107.516 where: short stacking energy: -488.128 Base-Backbone interact. energy: -0.892 local terms energy: -456.137287 where: bonds (distance) C4'-P energy: -87.846 bonds (distance) P-C4' energy: -84.612 flat angles C4'-P-C4' energy: -90.219 flat angles P-C4'-P energy: -62.725 tors. eta vs tors. theta energy: -130.735 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: 180 Temperature: 1.250000 Total energy: -1541.834433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.834433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.834433 (E_RNA) where: Base-Base interactions energy: -1108.720 where: short stacking energy: -524.784 Base-Backbone interact. energy: -1.013 local terms energy: -432.101603 where: bonds (distance) C4'-P energy: -80.411 bonds (distance) P-C4' energy: -54.377 flat angles C4'-P-C4' energy: -98.997 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -132.956 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: 180 Temperature: 1.300000 Total energy: -1479.868947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.868947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.868947 (E_RNA) where: Base-Base interactions energy: -1048.234 where: short stacking energy: -477.617 Base-Backbone interact. energy: -1.597 local terms energy: -430.037309 where: bonds (distance) C4'-P energy: -70.926 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -93.085 flat angles P-C4'-P energy: -53.008 tors. eta vs tors. theta energy: -128.799 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: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1207.376535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.376535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.376535 (E_RNA) where: Base-Base interactions energy: -825.742 where: short stacking energy: -405.205 Base-Backbone interact. energy: -0.502 local terms energy: -381.132477 where: bonds (distance) C4'-P energy: -72.925 bonds (distance) P-C4' energy: -79.134 flat angles C4'-P-C4' energy: -86.535 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -92.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1970.362467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.362467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.362467 (E_RNA) where: Base-Base interactions energy: -1415.718 where: short stacking energy: -642.453 Base-Backbone interact. energy: -1.325 local terms energy: -553.319621 where: bonds (distance) C4'-P energy: -94.726 bonds (distance) P-C4' energy: -94.131 flat angles C4'-P-C4' energy: -111.713 flat angles P-C4'-P energy: -78.581 tors. eta vs tors. theta energy: -174.170 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: 181 Temperature: 0.950000 Total energy: -1823.798120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.798120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.798120 (E_RNA) where: Base-Base interactions energy: -1300.651 where: short stacking energy: -576.925 Base-Backbone interact. energy: -3.784 local terms energy: -519.362441 where: bonds (distance) C4'-P energy: -93.619 bonds (distance) P-C4' energy: -89.306 flat angles C4'-P-C4' energy: -113.452 flat angles P-C4'-P energy: -68.462 tors. eta vs tors. theta energy: -154.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1826.327338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.327338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.327338 (E_RNA) where: Base-Base interactions energy: -1326.843 where: short stacking energy: -606.257 Base-Backbone interact. energy: -0.991 local terms energy: -498.493346 where: bonds (distance) C4'-P energy: -86.354 bonds (distance) P-C4' energy: -90.390 flat angles C4'-P-C4' energy: -104.473 flat angles P-C4'-P energy: -60.388 tors. eta vs tors. theta energy: -156.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1783.059639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.059639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.059639 (E_RNA) where: Base-Base interactions energy: -1295.671 where: short stacking energy: -583.932 Base-Backbone interact. energy: -2.013 local terms energy: -485.376336 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -104.736 flat angles P-C4'-P energy: -59.834 tors. eta vs tors. theta energy: -150.264 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: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1723.459707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.459707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.459707 (E_RNA) where: Base-Base interactions energy: -1279.597 where: short stacking energy: -564.116 Base-Backbone interact. energy: -0.917 local terms energy: -442.945659 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -70.441 flat angles C4'-P-C4' energy: -102.533 flat angles P-C4'-P energy: -56.216 tors. eta vs tors. theta energy: -142.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1692.358572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.358572 (E_RNA) where: Base-Base interactions energy: -1241.034 where: short stacking energy: -578.412 Base-Backbone interact. energy: 1.739 local terms energy: -453.064023 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -72.699 flat angles C4'-P-C4' energy: -94.235 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -150.400 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: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1512.958971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.958971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.958971 (E_RNA) where: Base-Base interactions energy: -1067.079 where: short stacking energy: -482.470 Base-Backbone interact. energy: 0.426 local terms energy: -446.306139 where: bonds (distance) C4'-P energy: -80.467 bonds (distance) P-C4' energy: -74.525 flat angles C4'-P-C4' energy: -94.669 flat angles P-C4'-P energy: -68.353 tors. eta vs tors. theta energy: -128.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1519.359136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.359136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.359136 (E_RNA) where: Base-Base interactions energy: -1088.346 where: short stacking energy: -484.667 Base-Backbone interact. energy: -2.489 local terms energy: -428.524417 where: bonds (distance) C4'-P energy: -77.178 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: -129.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1451.972709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.972709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.972709 (E_RNA) where: Base-Base interactions energy: -1033.064 where: short stacking energy: -469.903 Base-Backbone interact. energy: -2.490 local terms energy: -416.418963 where: bonds (distance) C4'-P energy: -79.974 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -97.337 flat angles P-C4'-P energy: -43.457 tors. eta vs tors. theta energy: -126.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1163.890597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.890597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.890597 (E_RNA) where: Base-Base interactions energy: -788.412 where: short stacking energy: -396.720 Base-Backbone interact. energy: -1.868 local terms energy: -373.610591 where: bonds (distance) C4'-P energy: -62.968 bonds (distance) P-C4' energy: -66.285 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: -97.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1945.444875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.444875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.444875 (E_RNA) where: Base-Base interactions energy: -1407.435 where: short stacking energy: -648.298 Base-Backbone interact. energy: -2.377 local terms energy: -535.632788 where: bonds (distance) C4'-P energy: -88.658 bonds (distance) P-C4' energy: -83.997 flat angles C4'-P-C4' energy: -112.699 flat angles P-C4'-P energy: -76.737 tors. eta vs tors. theta energy: -173.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1839.202161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.202161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.202161 (E_RNA) where: Base-Base interactions energy: -1311.750 where: short stacking energy: -572.285 Base-Backbone interact. energy: -5.758 local terms energy: -521.693457 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -84.070 flat angles C4'-P-C4' energy: -109.831 flat angles P-C4'-P energy: -81.035 tors. eta vs tors. theta energy: -150.529 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: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1810.322251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.322251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.322251 (E_RNA) where: Base-Base interactions energy: -1314.686 where: short stacking energy: -590.875 Base-Backbone interact. energy: -1.382 local terms energy: -494.253824 where: bonds (distance) C4'-P energy: -86.078 bonds (distance) P-C4' energy: -80.711 flat angles C4'-P-C4' energy: -107.648 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: -152.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1777.988707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.988707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.988707 (E_RNA) where: Base-Base interactions energy: -1264.150 where: short stacking energy: -570.925 Base-Backbone interact. energy: -3.046 local terms energy: -510.791724 where: bonds (distance) C4'-P energy: -91.965 bonds (distance) P-C4' energy: -87.348 flat angles C4'-P-C4' energy: -110.731 flat angles P-C4'-P energy: -76.646 tors. eta vs tors. theta energy: -144.102 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: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1702.176918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.176918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.176918 (E_RNA) where: Base-Base interactions energy: -1235.281 where: short stacking energy: -556.879 Base-Backbone interact. energy: -3.060 local terms energy: -463.836264 where: bonds (distance) C4'-P energy: -77.938 bonds (distance) P-C4' energy: -85.500 flat angles C4'-P-C4' energy: -94.496 flat angles P-C4'-P energy: -61.756 tors. eta vs tors. theta energy: -144.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1663.214914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.214914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.214914 (E_RNA) where: Base-Base interactions energy: -1203.804 where: short stacking energy: -543.967 Base-Backbone interact. energy: -1.536 local terms energy: -457.874772 where: bonds (distance) C4'-P energy: -80.088 bonds (distance) P-C4' energy: -74.111 flat angles C4'-P-C4' energy: -94.942 flat angles P-C4'-P energy: -62.878 tors. eta vs tors. theta energy: -145.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1568.378323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.378323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.378323 (E_RNA) where: Base-Base interactions energy: -1112.117 where: short stacking energy: -507.161 Base-Backbone interact. energy: -1.453 local terms energy: -454.807596 where: bonds (distance) C4'-P energy: -88.663 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -99.660 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -133.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1494.831908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.831908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.831908 (E_RNA) where: Base-Base interactions energy: -1060.818 where: short stacking energy: -497.385 Base-Backbone interact. energy: -0.149 local terms energy: -433.864301 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -74.515 flat angles C4'-P-C4' energy: -98.229 flat angles P-C4'-P energy: -56.163 tors. eta vs tors. theta energy: -131.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1482.570581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.570581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.570581 (E_RNA) where: Base-Base interactions energy: -1050.061 where: short stacking energy: -477.136 Base-Backbone interact. energy: -1.047 local terms energy: -431.462588 where: bonds (distance) C4'-P energy: -82.730 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -91.344 flat angles P-C4'-P energy: -49.500 tors. eta vs tors. theta energy: -117.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1162.132631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.132631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.132631 (E_RNA) where: Base-Base interactions energy: -819.535 where: short stacking energy: -384.311 Base-Backbone interact. energy: -0.527 local terms energy: -342.070702 where: bonds (distance) C4'-P energy: -59.910 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -82.582 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: -82.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1948.263401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.263401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.263401 (E_RNA) where: Base-Base interactions energy: -1396.429 where: short stacking energy: -637.390 Base-Backbone interact. energy: -1.359 local terms energy: -550.475501 where: bonds (distance) C4'-P energy: -97.786 bonds (distance) P-C4' energy: -95.495 flat angles C4'-P-C4' energy: -107.267 flat angles P-C4'-P energy: -80.164 tors. eta vs tors. theta energy: -169.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1817.593428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.593428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.593428 (E_RNA) where: Base-Base interactions energy: -1285.195 where: short stacking energy: -581.347 Base-Backbone interact. energy: -2.540 local terms energy: -529.858064 where: bonds (distance) C4'-P energy: -102.768 bonds (distance) P-C4' energy: -94.927 flat angles C4'-P-C4' energy: -102.643 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -154.071 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: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1809.072211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.072211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.072211 (E_RNA) where: Base-Base interactions energy: -1291.120 where: short stacking energy: -553.409 Base-Backbone interact. energy: -1.539 local terms energy: -516.413962 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -87.477 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -71.077 tors. eta vs tors. theta energy: -154.066 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: 183 Temperature: 1.050000 Total energy: -1782.593724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.593724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.593724 (E_RNA) where: Base-Base interactions energy: -1283.701 where: short stacking energy: -589.484 Base-Backbone interact. energy: 0.208 local terms energy: -499.100682 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -81.823 flat angles C4'-P-C4' energy: -109.291 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -155.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1734.356135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.356135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.356135 (E_RNA) where: Base-Base interactions energy: -1256.148 where: short stacking energy: -553.290 Base-Backbone interact. energy: -0.249 local terms energy: -477.959318 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -109.310 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -145.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1665.844001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.844001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.844001 (E_RNA) where: Base-Base interactions energy: -1206.440 where: short stacking energy: -567.779 Base-Backbone interact. energy: -2.172 local terms energy: -457.231509 where: bonds (distance) C4'-P energy: -69.649 bonds (distance) P-C4' energy: -77.171 flat angles C4'-P-C4' energy: -98.065 flat angles P-C4'-P energy: -59.895 tors. eta vs tors. theta energy: -152.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1578.505256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.505256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.505256 (E_RNA) where: Base-Base interactions energy: -1121.809 where: short stacking energy: -534.948 Base-Backbone interact. energy: -1.500 local terms energy: -455.196511 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -97.886 flat angles P-C4'-P energy: -66.175 tors. eta vs tors. theta energy: -139.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1523.728055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.728055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.728055 (E_RNA) where: Base-Base interactions energy: -1104.362 where: short stacking energy: -514.583 Base-Backbone interact. energy: -0.345 local terms energy: -419.020899 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -70.785 flat angles C4'-P-C4' energy: -86.738 flat angles P-C4'-P energy: -61.168 tors. eta vs tors. theta energy: -134.489 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: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1458.964966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.964966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.964966 (E_RNA) where: Base-Base interactions energy: -1008.766 where: short stacking energy: -455.706 Base-Backbone interact. energy: -3.093 local terms energy: -447.106168 where: bonds (distance) C4'-P energy: -86.077 bonds (distance) P-C4' energy: -79.982 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -64.416 tors. eta vs tors. theta energy: -122.091 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: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1308.143094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.143094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.143094 (E_RNA) where: Base-Base interactions energy: -941.692 where: short stacking energy: -437.080 Base-Backbone interact. energy: 0.724 local terms energy: -367.175855 where: bonds (distance) C4'-P energy: -73.032 bonds (distance) P-C4' energy: -55.994 flat angles C4'-P-C4' energy: -76.450 flat angles P-C4'-P energy: -46.292 tors. eta vs tors. theta energy: -115.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1957.988575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.988575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.988575 (E_RNA) where: Base-Base interactions energy: -1405.403 where: short stacking energy: -623.266 Base-Backbone interact. energy: -3.016 local terms energy: -549.569364 where: bonds (distance) C4'-P energy: -85.075 bonds (distance) P-C4' energy: -95.507 flat angles C4'-P-C4' energy: -113.793 flat angles P-C4'-P energy: -86.187 tors. eta vs tors. theta energy: -169.007 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: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1846.795046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.795046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.795046 (E_RNA) where: Base-Base interactions energy: -1315.062 where: short stacking energy: -593.562 Base-Backbone interact. energy: -1.321 local terms energy: -530.412524 where: bonds (distance) C4'-P energy: -93.600 bonds (distance) P-C4' energy: -93.029 flat angles C4'-P-C4' energy: -108.911 flat angles P-C4'-P energy: -71.820 tors. eta vs tors. theta energy: -163.052 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: 184 Temperature: 1.000000 Total energy: -1795.202352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.202352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.202352 (E_RNA) where: Base-Base interactions energy: -1294.112 where: short stacking energy: -561.987 Base-Backbone interact. energy: 0.334 local terms energy: -501.424662 where: bonds (distance) C4'-P energy: -80.693 bonds (distance) P-C4' energy: -87.046 flat angles C4'-P-C4' energy: -100.641 flat angles P-C4'-P energy: -82.055 tors. eta vs tors. theta energy: -150.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1778.195143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.195143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.195143 (E_RNA) where: Base-Base interactions energy: -1267.015 where: short stacking energy: -566.347 Base-Backbone interact. energy: -1.847 local terms energy: -509.332851 where: bonds (distance) C4'-P energy: -90.133 bonds (distance) P-C4' energy: -86.632 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -78.171 tors. eta vs tors. theta energy: -150.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1708.268419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.268419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.268419 (E_RNA) where: Base-Base interactions energy: -1227.608 where: short stacking energy: -526.791 Base-Backbone interact. energy: 1.957 local terms energy: -482.617818 where: bonds (distance) C4'-P energy: -83.580 bonds (distance) P-C4' energy: -89.596 flat angles C4'-P-C4' energy: -105.958 flat angles P-C4'-P energy: -60.270 tors. eta vs tors. theta energy: -143.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1658.367698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.367698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.367698 (E_RNA) where: Base-Base interactions energy: -1183.892 where: short stacking energy: -527.384 Base-Backbone interact. energy: -1.884 local terms energy: -472.592342 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -72.082 flat angles C4'-P-C4' energy: -101.987 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -142.846 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: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1584.354768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.354768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.354768 (E_RNA) where: Base-Base interactions energy: -1108.288 where: short stacking energy: -542.492 Base-Backbone interact. energy: -0.726 local terms energy: -475.341056 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -74.803 flat angles C4'-P-C4' energy: -107.902 flat angles P-C4'-P energy: -71.669 tors. eta vs tors. theta energy: -141.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1559.604236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.604236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.604236 (E_RNA) where: Base-Base interactions energy: -1129.254 where: short stacking energy: -519.527 Base-Backbone interact. energy: -1.597 local terms energy: -428.753132 where: bonds (distance) C4'-P energy: -70.706 bonds (distance) P-C4' energy: -82.365 flat angles C4'-P-C4' energy: -93.476 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -136.164 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: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1473.089710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.089710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.089710 (E_RNA) where: Base-Base interactions energy: -1038.588 where: short stacking energy: -477.417 Base-Backbone interact. energy: 4.148 local terms energy: -438.649490 where: bonds (distance) C4'-P energy: -85.618 bonds (distance) P-C4' energy: -80.162 flat angles C4'-P-C4' energy: -89.834 flat angles P-C4'-P energy: -54.742 tors. eta vs tors. theta energy: -128.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1267.930882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.930882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.930882 (E_RNA) where: Base-Base interactions energy: -874.550 where: short stacking energy: -419.167 Base-Backbone interact. energy: 0.687 local terms energy: -394.067502 where: bonds (distance) C4'-P energy: -82.937 bonds (distance) P-C4' energy: -81.518 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -48.308 tors. eta vs tors. theta energy: -103.248 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: 185 Temperature: 0.900000 Total energy: -1972.884233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.884233 (E_RNA) where: Base-Base interactions energy: -1423.787 where: short stacking energy: -648.530 Base-Backbone interact. energy: -1.616 local terms energy: -547.481362 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -89.673 flat angles C4'-P-C4' energy: -118.330 flat angles P-C4'-P energy: -75.204 tors. eta vs tors. theta energy: -173.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1869.248418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.248418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.248418 (E_RNA) where: Base-Base interactions energy: -1349.380 where: short stacking energy: -610.118 Base-Backbone interact. energy: -1.303 local terms energy: -518.565813 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -86.648 flat angles C4'-P-C4' energy: -113.746 flat angles P-C4'-P energy: -72.757 tors. eta vs tors. theta energy: -159.541 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: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1777.763746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.763746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.763746 (E_RNA) where: Base-Base interactions energy: -1289.345 where: short stacking energy: -568.070 Base-Backbone interact. energy: -2.072 local terms energy: -486.346054 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -79.886 flat angles C4'-P-C4' energy: -106.588 flat angles P-C4'-P energy: -67.136 tors. eta vs tors. theta energy: -151.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1756.646732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.646732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.646732 (E_RNA) where: Base-Base interactions energy: -1259.081 where: short stacking energy: -541.377 Base-Backbone interact. energy: -2.222 local terms energy: -495.343867 where: bonds (distance) C4'-P energy: -82.600 bonds (distance) P-C4' energy: -90.576 flat angles C4'-P-C4' energy: -108.755 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -148.865 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: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1757.932593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.932593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.932593 (E_RNA) where: Base-Base interactions energy: -1271.515 where: short stacking energy: -592.493 Base-Backbone interact. energy: 3.963 local terms energy: -490.379970 where: bonds (distance) C4'-P energy: -83.486 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -103.989 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -155.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1691.462654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.462654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.462654 (E_RNA) where: Base-Base interactions energy: -1213.241 where: short stacking energy: -543.253 Base-Backbone interact. energy: -2.106 local terms energy: -476.115753 where: bonds (distance) C4'-P energy: -91.478 bonds (distance) P-C4' energy: -81.343 flat angles C4'-P-C4' energy: -93.139 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -146.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1563.476439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.476439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.476439 (E_RNA) where: Base-Base interactions energy: -1123.546 where: short stacking energy: -516.477 Base-Backbone interact. energy: -2.010 local terms energy: -437.921024 where: bonds (distance) C4'-P energy: -75.013 bonds (distance) P-C4' energy: -71.770 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -62.934 tors. eta vs tors. theta energy: -127.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1552.077540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.077540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.077540 (E_RNA) where: Base-Base interactions energy: -1128.779 where: short stacking energy: -508.152 Base-Backbone interact. energy: -0.062 local terms energy: -423.235895 where: bonds (distance) C4'-P energy: -74.445 bonds (distance) P-C4' energy: -78.041 flat angles C4'-P-C4' energy: -84.750 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -133.751 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: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1518.562714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.562714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.562714 (E_RNA) where: Base-Base interactions energy: -1089.682 where: short stacking energy: -488.745 Base-Backbone interact. energy: 1.016 local terms energy: -429.896436 where: bonds (distance) C4'-P energy: -79.123 bonds (distance) P-C4' energy: -77.757 flat angles C4'-P-C4' energy: -93.199 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -130.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1320.864441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.864441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.864441 (E_RNA) where: Base-Base interactions energy: -953.042 where: short stacking energy: -432.077 Base-Backbone interact. energy: 1.499 local terms energy: -369.321825 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -64.408 flat angles C4'-P-C4' energy: -88.832 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -103.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1945.076520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.076520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.076520 (E_RNA) where: Base-Base interactions energy: -1395.556 where: short stacking energy: -628.005 Base-Backbone interact. energy: -1.464 local terms energy: -548.056392 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -97.692 flat angles C4'-P-C4' energy: -115.138 flat angles P-C4'-P energy: -71.766 tors. eta vs tors. theta energy: -173.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1848.223208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.223208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.223208 (E_RNA) where: Base-Base interactions energy: -1324.954 where: short stacking energy: -597.436 Base-Backbone interact. energy: -3.150 local terms energy: -520.119696 where: bonds (distance) C4'-P energy: -84.837 bonds (distance) P-C4' energy: -96.428 flat angles C4'-P-C4' energy: -110.818 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -154.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1776.076471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.076471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.076471 (E_RNA) where: Base-Base interactions energy: -1273.452 where: short stacking energy: -554.519 Base-Backbone interact. energy: -2.430 local terms energy: -500.194647 where: bonds (distance) C4'-P energy: -80.279 bonds (distance) P-C4' energy: -96.108 flat angles C4'-P-C4' energy: -104.653 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: -144.805 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: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1758.147003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.147003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.147003 (E_RNA) where: Base-Base interactions energy: -1266.628 where: short stacking energy: -577.477 Base-Backbone interact. energy: -1.733 local terms energy: -489.786371 where: bonds (distance) C4'-P energy: -82.348 bonds (distance) P-C4' energy: -89.515 flat angles C4'-P-C4' energy: -99.350 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: -150.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1755.827347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.827347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.827347 (E_RNA) where: Base-Base interactions energy: -1257.692 where: short stacking energy: -569.433 Base-Backbone interact. energy: -1.765 local terms energy: -496.370484 where: bonds (distance) C4'-P energy: -82.423 bonds (distance) P-C4' energy: -87.474 flat angles C4'-P-C4' energy: -101.738 flat angles P-C4'-P energy: -68.264 tors. eta vs tors. theta energy: -156.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1655.798519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.798519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.798519 (E_RNA) where: Base-Base interactions energy: -1205.765 where: short stacking energy: -547.885 Base-Backbone interact. energy: 0.661 local terms energy: -450.694443 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -52.744 flat angles C4'-P-C4' energy: -106.147 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: -142.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1600.104825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.104825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.104825 (E_RNA) where: Base-Base interactions energy: -1125.624 where: short stacking energy: -528.383 Base-Backbone interact. energy: -1.087 local terms energy: -473.393737 where: bonds (distance) C4'-P energy: -81.373 bonds (distance) P-C4' energy: -86.646 flat angles C4'-P-C4' energy: -96.513 flat angles P-C4'-P energy: -66.350 tors. eta vs tors. theta energy: -142.510 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: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1559.883665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.883665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.883665 (E_RNA) where: Base-Base interactions energy: -1107.786 where: short stacking energy: -499.399 Base-Backbone interact. energy: -2.540 local terms energy: -449.556936 where: bonds (distance) C4'-P energy: -82.999 bonds (distance) P-C4' energy: -81.533 flat angles C4'-P-C4' energy: -91.838 flat angles P-C4'-P energy: -60.448 tors. eta vs tors. theta energy: -132.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1455.640717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.640717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.640717 (E_RNA) where: Base-Base interactions energy: -1046.241 where: short stacking energy: -459.893 Base-Backbone interact. energy: -0.817 local terms energy: -408.582314 where: bonds (distance) C4'-P energy: -65.898 bonds (distance) P-C4' energy: -60.767 flat angles C4'-P-C4' energy: -96.695 flat angles P-C4'-P energy: -64.370 tors. eta vs tors. theta energy: -120.852 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: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1300.689597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.689597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.689597 (E_RNA) where: Base-Base interactions energy: -896.338 where: short stacking energy: -409.364 Base-Backbone interact. energy: 0.502 local terms energy: -404.854083 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -69.714 flat angles C4'-P-C4' energy: -87.293 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -102.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1904.550166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.550166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.550166 (E_RNA) where: Base-Base interactions energy: -1359.224 where: short stacking energy: -626.060 Base-Backbone interact. energy: -1.628 local terms energy: -543.698050 where: bonds (distance) C4'-P energy: -89.139 bonds (distance) P-C4' energy: -91.725 flat angles C4'-P-C4' energy: -112.488 flat angles P-C4'-P energy: -82.033 tors. eta vs tors. theta energy: -168.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1856.038715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.038715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.038715 (E_RNA) where: Base-Base interactions energy: -1312.878 where: short stacking energy: -601.994 Base-Backbone interact. energy: -0.293 local terms energy: -542.867809 where: bonds (distance) C4'-P energy: -102.374 bonds (distance) P-C4' energy: -96.034 flat angles C4'-P-C4' energy: -109.041 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -167.796 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1792.521262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.521262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.521262 (E_RNA) where: Base-Base interactions energy: -1274.826 where: short stacking energy: -553.782 Base-Backbone interact. energy: -1.249 local terms energy: -516.446439 where: bonds (distance) C4'-P energy: -87.637 bonds (distance) P-C4' energy: -101.851 flat angles C4'-P-C4' energy: -103.141 flat angles P-C4'-P energy: -71.530 tors. eta vs tors. theta energy: -152.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1773.920127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.920127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.920127 (E_RNA) where: Base-Base interactions energy: -1265.496 where: short stacking energy: -575.851 Base-Backbone interact. energy: -2.784 local terms energy: -505.640536 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -94.193 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -61.979 tors. eta vs tors. theta energy: -157.487 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: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1755.541124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.541124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.541124 (E_RNA) where: Base-Base interactions energy: -1256.661 where: short stacking energy: -570.071 Base-Backbone interact. energy: -1.717 local terms energy: -497.162601 where: bonds (distance) C4'-P energy: -87.089 bonds (distance) P-C4' energy: -85.108 flat angles C4'-P-C4' energy: -100.573 flat angles P-C4'-P energy: -73.428 tors. eta vs tors. theta energy: -150.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1642.424012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.424012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.424012 (E_RNA) where: Base-Base interactions energy: -1157.487 where: short stacking energy: -540.417 Base-Backbone interact. energy: 0.726 local terms energy: -485.663241 where: bonds (distance) C4'-P energy: -79.708 bonds (distance) P-C4' energy: -84.059 flat angles C4'-P-C4' energy: -100.306 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -145.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1632.075297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.075297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.075297 (E_RNA) where: Base-Base interactions energy: -1190.021 where: short stacking energy: -512.910 Base-Backbone interact. energy: -2.394 local terms energy: -439.659759 where: bonds (distance) C4'-P energy: -71.363 bonds (distance) P-C4' energy: -67.085 flat angles C4'-P-C4' energy: -105.425 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -133.457 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: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1544.094779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.094779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.094779 (E_RNA) where: Base-Base interactions energy: -1105.495 where: short stacking energy: -505.243 Base-Backbone interact. energy: -1.129 local terms energy: -437.471148 where: bonds (distance) C4'-P energy: -59.120 bonds (distance) P-C4' energy: -77.985 flat angles C4'-P-C4' energy: -97.914 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -136.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1437.324079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.324079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.324079 (E_RNA) where: Base-Base interactions energy: -1011.549 where: short stacking energy: -473.711 Base-Backbone interact. energy: -1.314 local terms energy: -424.460966 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -81.644 flat angles C4'-P-C4' energy: -87.581 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -122.029 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1298.174744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.174744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.174744 (E_RNA) where: Base-Base interactions energy: -894.329 where: short stacking energy: -411.857 Base-Backbone interact. energy: 1.138 local terms energy: -404.984529 where: bonds (distance) C4'-P energy: -73.850 bonds (distance) P-C4' energy: -75.917 flat angles C4'-P-C4' energy: -88.290 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -116.319 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: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1899.417147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.417147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.417147 (E_RNA) where: Base-Base interactions energy: -1359.848 where: short stacking energy: -611.163 Base-Backbone interact. energy: -1.782 local terms energy: -537.786574 where: bonds (distance) C4'-P energy: -84.924 bonds (distance) P-C4' energy: -100.921 flat angles C4'-P-C4' energy: -111.474 flat angles P-C4'-P energy: -73.441 tors. eta vs tors. theta energy: -167.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1891.025475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.025475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.025475 (E_RNA) where: Base-Base interactions energy: -1363.209 where: short stacking energy: -633.530 Base-Backbone interact. energy: -1.250 local terms energy: -526.566367 where: bonds (distance) C4'-P energy: -86.228 bonds (distance) P-C4' energy: -94.553 flat angles C4'-P-C4' energy: -106.291 flat angles P-C4'-P energy: -72.412 tors. eta vs tors. theta energy: -167.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1774.575826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.575826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.575826 (E_RNA) where: Base-Base interactions energy: -1277.220 where: short stacking energy: -568.823 Base-Backbone interact. energy: -1.248 local terms energy: -496.107842 where: bonds (distance) C4'-P energy: -90.935 bonds (distance) P-C4' energy: -82.061 flat angles C4'-P-C4' energy: -105.058 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -146.301 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: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1764.963083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.963083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.963083 (E_RNA) where: Base-Base interactions energy: -1239.329 where: short stacking energy: -545.618 Base-Backbone interact. energy: -2.138 local terms energy: -523.495597 where: bonds (distance) C4'-P energy: -89.991 bonds (distance) P-C4' energy: -94.794 flat angles C4'-P-C4' energy: -112.372 flat angles P-C4'-P energy: -72.368 tors. eta vs tors. theta energy: -153.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1732.455011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.455011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.455011 (E_RNA) where: Base-Base interactions energy: -1245.274 where: short stacking energy: -552.241 Base-Backbone interact. energy: -3.209 local terms energy: -483.972367 where: bonds (distance) C4'-P energy: -73.122 bonds (distance) P-C4' energy: -81.150 flat angles C4'-P-C4' energy: -107.850 flat angles P-C4'-P energy: -72.836 tors. eta vs tors. theta energy: -149.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1631.614018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.614018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.614018 (E_RNA) where: Base-Base interactions energy: -1159.311 where: short stacking energy: -531.632 Base-Backbone interact. energy: -1.242 local terms energy: -471.060645 where: bonds (distance) C4'-P energy: -91.601 bonds (distance) P-C4' energy: -85.439 flat angles C4'-P-C4' energy: -87.804 flat angles P-C4'-P energy: -60.845 tors. eta vs tors. theta energy: -145.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1699.302081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.302081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.302081 (E_RNA) where: Base-Base interactions energy: -1229.603 where: short stacking energy: -533.217 Base-Backbone interact. energy: -3.641 local terms energy: -466.058408 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -75.360 flat angles C4'-P-C4' energy: -99.989 flat angles P-C4'-P energy: -72.424 tors. eta vs tors. theta energy: -139.261 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: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1530.449436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.449436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.449436 (E_RNA) where: Base-Base interactions energy: -1084.307 where: short stacking energy: -487.969 Base-Backbone interact. energy: -1.453 local terms energy: -444.689776 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -85.568 flat angles C4'-P-C4' energy: -96.250 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -131.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1305.364833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.364833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.364833 (E_RNA) where: Base-Base interactions energy: -899.915 where: short stacking energy: -408.700 Base-Backbone interact. energy: -0.113 local terms energy: -405.336477 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -97.139 flat angles C4'-P-C4' energy: -84.632 flat angles P-C4'-P energy: -54.472 tors. eta vs tors. theta energy: -104.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1370.887051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.887051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.887051 (E_RNA) where: Base-Base interactions energy: -958.631 where: short stacking energy: -439.177 Base-Backbone interact. energy: -0.730 local terms energy: -411.526080 where: bonds (distance) C4'-P energy: -82.389 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -90.670 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -121.352 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: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1897.389718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.389718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.389718 (E_RNA) where: Base-Base interactions energy: -1349.562 where: short stacking energy: -626.410 Base-Backbone interact. energy: -2.427 local terms energy: -545.400706 where: bonds (distance) C4'-P energy: -100.206 bonds (distance) P-C4' energy: -102.191 flat angles C4'-P-C4' energy: -103.827 flat angles P-C4'-P energy: -77.417 tors. eta vs tors. theta energy: -161.760 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: 189 Temperature: 0.950000 Total energy: -1888.473341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.473341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.473341 (E_RNA) where: Base-Base interactions energy: -1367.286 where: short stacking energy: -630.136 Base-Backbone interact. energy: -0.367 local terms energy: -520.820471 where: bonds (distance) C4'-P energy: -76.461 bonds (distance) P-C4' energy: -88.393 flat angles C4'-P-C4' energy: -112.283 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -165.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1785.664442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.664442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.664442 (E_RNA) where: Base-Base interactions energy: -1293.852 where: short stacking energy: -576.022 Base-Backbone interact. energy: -1.248 local terms energy: -490.564845 where: bonds (distance) C4'-P energy: -84.036 bonds (distance) P-C4' energy: -89.429 flat angles C4'-P-C4' energy: -111.800 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -143.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1739.221740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.221740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.221740 (E_RNA) where: Base-Base interactions energy: -1250.048 where: short stacking energy: -561.452 Base-Backbone interact. energy: -1.044 local terms energy: -488.129771 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -87.343 flat angles C4'-P-C4' energy: -106.179 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -144.375 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: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1729.985811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.985811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.985811 (E_RNA) where: Base-Base interactions energy: -1226.485 where: short stacking energy: -550.012 Base-Backbone interact. energy: -1.769 local terms energy: -501.731216 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -80.738 flat angles C4'-P-C4' energy: -103.706 flat angles P-C4'-P energy: -74.666 tors. eta vs tors. theta energy: -154.823 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: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1638.365423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.365423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.365423 (E_RNA) where: Base-Base interactions energy: -1154.791 where: short stacking energy: -520.144 Base-Backbone interact. energy: -0.870 local terms energy: -482.704117 where: bonds (distance) C4'-P energy: -80.986 bonds (distance) P-C4' energy: -92.490 flat angles C4'-P-C4' energy: -100.360 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -141.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1654.547253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.547253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.547253 (E_RNA) where: Base-Base interactions energy: -1191.422 where: short stacking energy: -525.066 Base-Backbone interact. energy: -1.696 local terms energy: -461.428686 where: bonds (distance) C4'-P energy: -68.834 bonds (distance) P-C4' energy: -80.253 flat angles C4'-P-C4' energy: -101.859 flat angles P-C4'-P energy: -70.024 tors. eta vs tors. theta energy: -140.458 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: 189 Temperature: 1.250000 Total energy: -1572.328835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.328835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.328835 (E_RNA) where: Base-Base interactions energy: -1128.797 where: short stacking energy: -533.166 Base-Backbone interact. energy: -1.556 local terms energy: -441.975642 where: bonds (distance) C4'-P energy: -66.005 bonds (distance) P-C4' energy: -79.467 flat angles C4'-P-C4' energy: -96.046 flat angles P-C4'-P energy: -52.920 tors. eta vs tors. theta energy: -147.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1328.595613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.595613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.595613 (E_RNA) where: Base-Base interactions energy: -940.142 where: short stacking energy: -420.599 Base-Backbone interact. energy: -2.423 local terms energy: -386.029974 where: bonds (distance) C4'-P energy: -80.222 bonds (distance) P-C4' energy: -54.435 flat angles C4'-P-C4' energy: -92.045 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -105.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1299.815732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.815732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.815732 (E_RNA) where: Base-Base interactions energy: -924.305 where: short stacking energy: -400.418 Base-Backbone interact. energy: -1.846 local terms energy: -373.665322 where: bonds (distance) C4'-P energy: -60.269 bonds (distance) P-C4' energy: -76.419 flat angles C4'-P-C4' energy: -87.085 flat angles P-C4'-P energy: -55.459 tors. eta vs tors. theta energy: -94.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1906.360778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.360778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.360778 (E_RNA) where: Base-Base interactions energy: -1371.818 where: short stacking energy: -629.999 Base-Backbone interact. energy: -1.204 local terms energy: -533.338878 where: bonds (distance) C4'-P energy: -92.738 bonds (distance) P-C4' energy: -86.845 flat angles C4'-P-C4' energy: -114.530 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -160.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1855.190640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.190640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.190640 (E_RNA) where: Base-Base interactions energy: -1344.867 where: short stacking energy: -605.976 Base-Backbone interact. energy: -1.146 local terms energy: -509.177536 where: bonds (distance) C4'-P energy: -83.473 bonds (distance) P-C4' energy: -85.060 flat angles C4'-P-C4' energy: -109.289 flat angles P-C4'-P energy: -68.001 tors. eta vs tors. theta energy: -163.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1813.727676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.727676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.727676 (E_RNA) where: Base-Base interactions energy: -1302.762 where: short stacking energy: -589.856 Base-Backbone interact. energy: -4.228 local terms energy: -506.737847 where: bonds (distance) C4'-P energy: -88.793 bonds (distance) P-C4' energy: -94.363 flat angles C4'-P-C4' energy: -106.126 flat angles P-C4'-P energy: -67.777 tors. eta vs tors. theta energy: -149.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1774.743597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.743597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.743597 (E_RNA) where: Base-Base interactions energy: -1284.037 where: short stacking energy: -566.975 Base-Backbone interact. energy: -1.837 local terms energy: -488.869268 where: bonds (distance) C4'-P energy: -84.587 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -105.940 flat angles P-C4'-P energy: -73.506 tors. eta vs tors. theta energy: -154.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1747.223313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.223313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.223313 (E_RNA) where: Base-Base interactions energy: -1269.353 where: short stacking energy: -568.411 Base-Backbone interact. energy: -0.684 local terms energy: -477.186360 where: bonds (distance) C4'-P energy: -85.108 bonds (distance) P-C4' energy: -70.865 flat angles C4'-P-C4' energy: -96.892 flat angles P-C4'-P energy: -70.317 tors. eta vs tors. theta energy: -154.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1641.426111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.426111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.426111 (E_RNA) where: Base-Base interactions energy: -1160.956 where: short stacking energy: -542.394 Base-Backbone interact. energy: -2.100 local terms energy: -478.370762 where: bonds (distance) C4'-P energy: -79.923 bonds (distance) P-C4' energy: -82.338 flat angles C4'-P-C4' energy: -102.552 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -146.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1626.116397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.116397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.116397 (E_RNA) where: Base-Base interactions energy: -1167.942 where: short stacking energy: -519.481 Base-Backbone interact. energy: -1.273 local terms energy: -456.901468 where: bonds (distance) C4'-P energy: -61.780 bonds (distance) P-C4' energy: -86.422 flat angles C4'-P-C4' energy: -99.536 flat angles P-C4'-P energy: -74.251 tors. eta vs tors. theta energy: -134.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1533.230427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.230427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.230427 (E_RNA) where: Base-Base interactions energy: -1085.352 where: short stacking energy: -505.744 Base-Backbone interact. energy: -1.352 local terms energy: -446.526274 where: bonds (distance) C4'-P energy: -66.403 bonds (distance) P-C4' energy: -79.952 flat angles C4'-P-C4' energy: -100.425 flat angles P-C4'-P energy: -58.511 tors. eta vs tors. theta energy: -141.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1387.824121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.824121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.824121 (E_RNA) where: Base-Base interactions energy: -980.272 where: short stacking energy: -466.021 Base-Backbone interact. energy: -1.859 local terms energy: -405.693815 where: bonds (distance) C4'-P energy: -77.945 bonds (distance) P-C4' energy: -70.844 flat angles C4'-P-C4' energy: -80.270 flat angles P-C4'-P energy: -54.572 tors. eta vs tors. theta energy: -122.063 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: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1248.229505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.229505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.229505 (E_RNA) where: Base-Base interactions energy: -900.905 where: short stacking energy: -423.997 Base-Backbone interact. energy: 3.677 local terms energy: -351.001769 where: bonds (distance) C4'-P energy: -76.159 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -77.708 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -95.216 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: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1931.990247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.990247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.990247 (E_RNA) where: Base-Base interactions energy: -1390.178 where: short stacking energy: -626.414 Base-Backbone interact. energy: -0.223 local terms energy: -541.589849 where: bonds (distance) C4'-P energy: -95.594 bonds (distance) P-C4' energy: -96.766 flat angles C4'-P-C4' energy: -113.323 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -158.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1870.081809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.081809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.081809 (E_RNA) where: Base-Base interactions energy: -1333.790 where: short stacking energy: -609.592 Base-Backbone interact. energy: -3.371 local terms energy: -532.920344 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -89.451 flat angles C4'-P-C4' energy: -108.685 flat angles P-C4'-P energy: -74.878 tors. eta vs tors. theta energy: -166.561 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: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1821.789565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.789565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.789565 (E_RNA) where: Base-Base interactions energy: -1314.118 where: short stacking energy: -594.061 Base-Backbone interact. energy: -2.742 local terms energy: -504.929269 where: bonds (distance) C4'-P energy: -88.363 bonds (distance) P-C4' energy: -94.008 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -148.471 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: 191 Temperature: 1.050000 Total energy: -1786.540077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.540077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.540077 (E_RNA) where: Base-Base interactions energy: -1278.697 where: short stacking energy: -577.865 Base-Backbone interact. energy: -1.942 local terms energy: -505.901566 where: bonds (distance) C4'-P energy: -95.098 bonds (distance) P-C4' energy: -94.289 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -70.284 tors. eta vs tors. theta energy: -152.359 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: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1710.909331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.909331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.909331 (E_RNA) where: Base-Base interactions energy: -1227.285 where: short stacking energy: -544.929 Base-Backbone interact. energy: -4.658 local terms energy: -478.966689 where: bonds (distance) C4'-P energy: -73.023 bonds (distance) P-C4' energy: -81.971 flat angles C4'-P-C4' energy: -100.312 flat angles P-C4'-P energy: -74.646 tors. eta vs tors. theta energy: -149.015 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1648.208120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.208120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.208120 (E_RNA) where: Base-Base interactions energy: -1167.509 where: short stacking energy: -538.727 Base-Backbone interact. energy: -4.470 local terms energy: -476.229579 where: bonds (distance) C4'-P energy: -77.231 bonds (distance) P-C4' energy: -82.393 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -76.614 tors. eta vs tors. theta energy: -137.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1643.590662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.590662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.590662 (E_RNA) where: Base-Base interactions energy: -1167.058 where: short stacking energy: -518.557 Base-Backbone interact. energy: -1.757 local terms energy: -474.775731 where: bonds (distance) C4'-P energy: -83.538 bonds (distance) P-C4' energy: -70.449 flat angles C4'-P-C4' energy: -105.819 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -150.097 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: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1454.297790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.297790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.297790 (E_RNA) where: Base-Base interactions energy: -1034.410 where: short stacking energy: -478.191 Base-Backbone interact. energy: -0.692 local terms energy: -419.196092 where: bonds (distance) C4'-P energy: -74.769 bonds (distance) P-C4' energy: -75.862 flat angles C4'-P-C4' energy: -85.745 flat angles P-C4'-P energy: -61.303 tors. eta vs tors. theta energy: -121.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1503.504062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.504062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.504062 (E_RNA) where: Base-Base interactions energy: -1078.373 where: short stacking energy: -500.129 Base-Backbone interact. energy: -0.187 local terms energy: -424.944027 where: bonds (distance) C4'-P energy: -67.926 bonds (distance) P-C4' energy: -83.512 flat angles C4'-P-C4' energy: -92.096 flat angles P-C4'-P energy: -52.227 tors. eta vs tors. theta energy: -129.184 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: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1254.238463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.238463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.238463 (E_RNA) where: Base-Base interactions energy: -884.429 where: short stacking energy: -409.507 Base-Backbone interact. energy: -1.900 local terms energy: -367.909861 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -65.914 flat angles C4'-P-C4' energy: -79.001 flat angles P-C4'-P energy: -52.166 tors. eta vs tors. theta energy: -102.061 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: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1915.359747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.359747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.359747 (E_RNA) where: Base-Base interactions energy: -1383.529 where: short stacking energy: -619.382 Base-Backbone interact. energy: -0.896 local terms energy: -530.934663 where: bonds (distance) C4'-P energy: -86.199 bonds (distance) P-C4' energy: -99.375 flat angles C4'-P-C4' energy: -108.894 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -162.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1869.536545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.536545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.536545 (E_RNA) where: Base-Base interactions energy: -1342.379 where: short stacking energy: -618.876 Base-Backbone interact. energy: -0.918 local terms energy: -526.239004 where: bonds (distance) C4'-P energy: -87.098 bonds (distance) P-C4' energy: -94.211 flat angles C4'-P-C4' energy: -107.538 flat angles P-C4'-P energy: -77.629 tors. eta vs tors. theta energy: -159.763 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: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1816.808468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.808468 (E_RNA) where: Base-Base interactions energy: -1305.478 where: short stacking energy: -599.136 Base-Backbone interact. energy: -2.586 local terms energy: -508.744612 where: bonds (distance) C4'-P energy: -82.931 bonds (distance) P-C4' energy: -100.073 flat angles C4'-P-C4' energy: -104.608 flat angles P-C4'-P energy: -63.133 tors. eta vs tors. theta energy: -158.000 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: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1755.694438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.694438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.694438 (E_RNA) where: Base-Base interactions energy: -1261.599 where: short stacking energy: -560.164 Base-Backbone interact. energy: -4.287 local terms energy: -489.808536 where: bonds (distance) C4'-P energy: -83.037 bonds (distance) P-C4' energy: -94.877 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -68.174 tors. eta vs tors. theta energy: -142.172 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: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1697.412286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.412286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.412286 (E_RNA) where: Base-Base interactions energy: -1223.949 where: short stacking energy: -548.935 Base-Backbone interact. energy: 0.377 local terms energy: -473.839635 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -81.895 flat angles C4'-P-C4' energy: -95.760 flat angles P-C4'-P energy: -64.536 tors. eta vs tors. theta energy: -152.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1682.856797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.856797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.856797 (E_RNA) where: Base-Base interactions energy: -1207.076 where: short stacking energy: -547.634 Base-Backbone interact. energy: 1.574 local terms energy: -477.354641 where: bonds (distance) C4'-P energy: -77.136 bonds (distance) P-C4' energy: -83.075 flat angles C4'-P-C4' energy: -112.118 flat angles P-C4'-P energy: -65.379 tors. eta vs tors. theta energy: -139.647 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: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1602.223079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.223079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.223079 (E_RNA) where: Base-Base interactions energy: -1131.799 where: short stacking energy: -523.688 Base-Backbone interact. energy: -0.102 local terms energy: -470.321841 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -85.692 flat angles C4'-P-C4' energy: -94.091 flat angles P-C4'-P energy: -58.498 tors. eta vs tors. theta energy: -143.577 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: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1470.036232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.036232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.036232 (E_RNA) where: Base-Base interactions energy: -1031.526 where: short stacking energy: -481.248 Base-Backbone interact. energy: -2.170 local terms energy: -436.340526 where: bonds (distance) C4'-P energy: -79.487 bonds (distance) P-C4' energy: -75.558 flat angles C4'-P-C4' energy: -95.662 flat angles P-C4'-P energy: -53.266 tors. eta vs tors. theta energy: -132.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1510.129498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.129498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.129498 (E_RNA) where: Base-Base interactions energy: -1082.879 where: short stacking energy: -496.617 Base-Backbone interact. energy: -0.594 local terms energy: -426.655851 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -82.922 flat angles C4'-P-C4' energy: -97.398 flat angles P-C4'-P energy: -59.821 tors. eta vs tors. theta energy: -132.565 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: 192 Temperature: 1.350000 Total energy: -1246.347746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.347746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.347746 (E_RNA) where: Base-Base interactions energy: -876.759 where: short stacking energy: -427.255 Base-Backbone interact. energy: 1.109 local terms energy: -370.698150 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -65.954 flat angles C4'-P-C4' energy: -80.774 flat angles P-C4'-P energy: -57.177 tors. eta vs tors. theta energy: -103.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1946.649797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.649797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.649797 (E_RNA) where: Base-Base interactions energy: -1381.371 where: short stacking energy: -625.441 Base-Backbone interact. energy: -4.246 local terms energy: -561.032506 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -86.870 flat angles C4'-P-C4' energy: -118.353 flat angles P-C4'-P energy: -87.888 tors. eta vs tors. theta energy: -168.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1855.188140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.188140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.188140 (E_RNA) where: Base-Base interactions energy: -1336.658 where: short stacking energy: -610.273 Base-Backbone interact. energy: -1.257 local terms energy: -517.272625 where: bonds (distance) C4'-P energy: -88.357 bonds (distance) P-C4' energy: -88.139 flat angles C4'-P-C4' energy: -103.755 flat angles P-C4'-P energy: -77.714 tors. eta vs tors. theta energy: -159.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1812.413019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.413019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.413019 (E_RNA) where: Base-Base interactions energy: -1295.822 where: short stacking energy: -606.361 Base-Backbone interact. energy: -1.714 local terms energy: -514.877562 where: bonds (distance) C4'-P energy: -92.519 bonds (distance) P-C4' energy: -83.818 flat angles C4'-P-C4' energy: -114.387 flat angles P-C4'-P energy: -69.615 tors. eta vs tors. theta energy: -154.539 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: 193 Temperature: 1.050000 Total energy: -1752.763180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.763180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.763180 (E_RNA) where: Base-Base interactions energy: -1264.833 where: short stacking energy: -559.917 Base-Backbone interact. energy: 1.445 local terms energy: -489.375348 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -91.152 flat angles C4'-P-C4' energy: -101.441 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -146.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1717.704082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.704082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.704082 (E_RNA) where: Base-Base interactions energy: -1264.121 where: short stacking energy: -555.362 Base-Backbone interact. energy: -4.408 local terms energy: -449.175616 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -92.426 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -143.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1659.032507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.032507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.032507 (E_RNA) where: Base-Base interactions energy: -1191.045 where: short stacking energy: -533.711 Base-Backbone interact. energy: -2.865 local terms energy: -465.122133 where: bonds (distance) C4'-P energy: -85.636 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -108.999 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -142.847 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: 193 Temperature: 1.200000 Total energy: -1583.112869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.112869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.112869 (E_RNA) where: Base-Base interactions energy: -1123.722 where: short stacking energy: -516.696 Base-Backbone interact. energy: -2.008 local terms energy: -457.382436 where: bonds (distance) C4'-P energy: -89.143 bonds (distance) P-C4' energy: -74.734 flat angles C4'-P-C4' energy: -101.088 flat angles P-C4'-P energy: -58.774 tors. eta vs tors. theta energy: -133.643 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: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1525.340450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.340450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.340450 (E_RNA) where: Base-Base interactions energy: -1087.595 where: short stacking energy: -499.883 Base-Backbone interact. energy: 1.630 local terms energy: -439.375523 where: bonds (distance) C4'-P energy: -81.595 bonds (distance) P-C4' energy: -71.864 flat angles C4'-P-C4' energy: -91.380 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -130.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1405.725292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.725292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.725292 (E_RNA) where: Base-Base interactions energy: -977.078 where: short stacking energy: -461.208 Base-Backbone interact. energy: -0.617 local terms energy: -428.030266 where: bonds (distance) C4'-P energy: -61.311 bonds (distance) P-C4' energy: -75.773 flat angles C4'-P-C4' energy: -100.767 flat angles P-C4'-P energy: -63.166 tors. eta vs tors. theta energy: -127.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1248.985312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.985312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.985312 (E_RNA) where: Base-Base interactions energy: -883.698 where: short stacking energy: -375.904 Base-Backbone interact. energy: -0.021 local terms energy: -365.265797 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -62.830 flat angles C4'-P-C4' energy: -93.933 flat angles P-C4'-P energy: -58.460 tors. eta vs tors. theta energy: -93.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1928.260241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.260241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.260241 (E_RNA) where: Base-Base interactions energy: -1382.499 where: short stacking energy: -636.065 Base-Backbone interact. energy: -1.461 local terms energy: -544.300516 where: bonds (distance) C4'-P energy: -91.495 bonds (distance) P-C4' energy: -86.376 flat angles C4'-P-C4' energy: -115.803 flat angles P-C4'-P energy: -80.584 tors. eta vs tors. theta energy: -170.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1865.565783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.565783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.565783 (E_RNA) where: Base-Base interactions energy: -1328.462 where: short stacking energy: -613.437 Base-Backbone interact. energy: -1.597 local terms energy: -535.507494 where: bonds (distance) C4'-P energy: -95.741 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -113.916 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -157.714 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: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1807.326061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.326061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.326061 (E_RNA) where: Base-Base interactions energy: -1286.973 where: short stacking energy: -586.132 Base-Backbone interact. energy: -2.820 local terms energy: -517.533608 where: bonds (distance) C4'-P energy: -89.886 bonds (distance) P-C4' energy: -92.064 flat angles C4'-P-C4' energy: -107.410 flat angles P-C4'-P energy: -75.487 tors. eta vs tors. theta energy: -152.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1755.704857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.704857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.704857 (E_RNA) where: Base-Base interactions energy: -1268.503 where: short stacking energy: -536.768 Base-Backbone interact. energy: -5.554 local terms energy: -481.647807 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -102.418 flat angles P-C4'-P energy: -63.360 tors. eta vs tors. theta energy: -147.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1714.388601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.388601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.388601 (E_RNA) where: Base-Base interactions energy: -1230.892 where: short stacking energy: -557.982 Base-Backbone interact. energy: -3.416 local terms energy: -480.080755 where: bonds (distance) C4'-P energy: -80.762 bonds (distance) P-C4' energy: -85.258 flat angles C4'-P-C4' energy: -104.617 flat angles P-C4'-P energy: -66.722 tors. eta vs tors. theta energy: -142.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1662.728361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.728361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.728361 (E_RNA) where: Base-Base interactions energy: -1192.411 where: short stacking energy: -537.941 Base-Backbone interact. energy: -0.765 local terms energy: -469.552510 where: bonds (distance) C4'-P energy: -77.953 bonds (distance) P-C4' energy: -79.718 flat angles C4'-P-C4' energy: -98.925 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -144.063 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: 194 Temperature: 1.200000 Total energy: -1600.120739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.120739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.120739 (E_RNA) where: Base-Base interactions energy: -1138.021 where: short stacking energy: -504.726 Base-Backbone interact. energy: -0.622 local terms energy: -461.477353 where: bonds (distance) C4'-P energy: -89.597 bonds (distance) P-C4' energy: -78.486 flat angles C4'-P-C4' energy: -97.747 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: -135.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1530.652471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.652471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.652471 (E_RNA) where: Base-Base interactions energy: -1098.448 where: short stacking energy: -499.947 Base-Backbone interact. energy: -2.112 local terms energy: -430.093129 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -72.592 flat angles C4'-P-C4' energy: -94.823 flat angles P-C4'-P energy: -54.784 tors. eta vs tors. theta energy: -132.272 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: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1392.596286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.596286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.596286 (E_RNA) where: Base-Base interactions energy: -975.370 where: short stacking energy: -451.994 Base-Backbone interact. energy: 0.930 local terms energy: -418.156379 where: bonds (distance) C4'-P energy: -76.549 bonds (distance) P-C4' energy: -77.940 flat angles C4'-P-C4' energy: -95.424 flat angles P-C4'-P energy: -67.461 tors. eta vs tors. theta energy: -100.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1309.214761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.214761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.214761 (E_RNA) where: Base-Base interactions energy: -947.047 where: short stacking energy: -421.362 Base-Backbone interact. energy: -2.385 local terms energy: -359.782223 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -51.088 flat angles C4'-P-C4' energy: -84.565 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: -100.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1929.470872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.470872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.470872 (E_RNA) where: Base-Base interactions energy: -1373.923 where: short stacking energy: -640.674 Base-Backbone interact. energy: -0.436 local terms energy: -555.111510 where: bonds (distance) C4'-P energy: -96.542 bonds (distance) P-C4' energy: -97.307 flat angles C4'-P-C4' energy: -111.336 flat angles P-C4'-P energy: -80.852 tors. eta vs tors. theta energy: -169.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1866.874457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.874457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.874457 (E_RNA) where: Base-Base interactions energy: -1339.181 where: short stacking energy: -613.645 Base-Backbone interact. energy: -2.003 local terms energy: -525.690506 where: bonds (distance) C4'-P energy: -93.022 bonds (distance) P-C4' energy: -90.770 flat angles C4'-P-C4' energy: -108.837 flat angles P-C4'-P energy: -65.603 tors. eta vs tors. theta energy: -167.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1779.351963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.351963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.351963 (E_RNA) where: Base-Base interactions energy: -1275.954 where: short stacking energy: -586.242 Base-Backbone interact. energy: -2.214 local terms energy: -501.184197 where: bonds (distance) C4'-P energy: -78.721 bonds (distance) P-C4' energy: -88.844 flat angles C4'-P-C4' energy: -102.392 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: -157.558 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1758.017327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.017327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.017327 (E_RNA) where: Base-Base interactions energy: -1263.855 where: short stacking energy: -565.395 Base-Backbone interact. energy: -1.093 local terms energy: -493.069528 where: bonds (distance) C4'-P energy: -87.124 bonds (distance) P-C4' energy: -80.286 flat angles C4'-P-C4' energy: -111.301 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -147.968 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: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1712.617405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.617405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.617405 (E_RNA) where: Base-Base interactions energy: -1211.057 where: short stacking energy: -549.488 Base-Backbone interact. energy: -1.096 local terms energy: -500.464284 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -88.725 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -70.125 tors. eta vs tors. theta energy: -153.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1690.749580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.749580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.749580 (E_RNA) where: Base-Base interactions energy: -1200.316 where: short stacking energy: -542.749 Base-Backbone interact. energy: -2.763 local terms energy: -487.670487 where: bonds (distance) C4'-P energy: -86.141 bonds (distance) P-C4' energy: -88.205 flat angles C4'-P-C4' energy: -101.503 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: -150.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1585.474867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.474867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.474867 (E_RNA) where: Base-Base interactions energy: -1126.875 where: short stacking energy: -499.517 Base-Backbone interact. energy: -2.200 local terms energy: -456.399937 where: bonds (distance) C4'-P energy: -85.173 bonds (distance) P-C4' energy: -80.109 flat angles C4'-P-C4' energy: -95.042 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -136.508 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: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1532.470023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.470023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.470023 (E_RNA) where: Base-Base interactions energy: -1085.220 where: short stacking energy: -498.500 Base-Backbone interact. energy: 0.079 local terms energy: -447.328964 where: bonds (distance) C4'-P energy: -75.307 bonds (distance) P-C4' energy: -70.821 flat angles C4'-P-C4' energy: -93.321 flat angles P-C4'-P energy: -68.020 tors. eta vs tors. theta energy: -139.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1340.278297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.278297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.278297 (E_RNA) where: Base-Base interactions energy: -945.539 where: short stacking energy: -459.351 Base-Backbone interact. energy: -0.971 local terms energy: -393.769060 where: bonds (distance) C4'-P energy: -76.939 bonds (distance) P-C4' energy: -57.309 flat angles C4'-P-C4' energy: -92.430 flat angles P-C4'-P energy: -58.959 tors. eta vs tors. theta energy: -108.131 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: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1304.975545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.975545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.975545 (E_RNA) where: Base-Base interactions energy: -954.840 where: short stacking energy: -431.672 Base-Backbone interact. energy: -1.361 local terms energy: -348.774688 where: bonds (distance) C4'-P energy: -57.079 bonds (distance) P-C4' energy: -52.363 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -106.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1938.636389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.636389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.636389 (E_RNA) where: Base-Base interactions energy: -1395.789 where: short stacking energy: -643.840 Base-Backbone interact. energy: -1.405 local terms energy: -541.442656 where: bonds (distance) C4'-P energy: -96.179 bonds (distance) P-C4' energy: -94.636 flat angles C4'-P-C4' energy: -111.718 flat angles P-C4'-P energy: -77.219 tors. eta vs tors. theta energy: -161.690 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: 196 Temperature: 0.950000 Total energy: -1873.106843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.106843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.106843 (E_RNA) where: Base-Base interactions energy: -1346.273 where: short stacking energy: -633.473 Base-Backbone interact. energy: -0.961 local terms energy: -525.872936 where: bonds (distance) C4'-P energy: -84.656 bonds (distance) P-C4' energy: -93.257 flat angles C4'-P-C4' energy: -110.828 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -160.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1797.127050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.127050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.127050 (E_RNA) where: Base-Base interactions energy: -1277.748 where: short stacking energy: -565.306 Base-Backbone interact. energy: -2.036 local terms energy: -517.342974 where: bonds (distance) C4'-P energy: -87.010 bonds (distance) P-C4' energy: -102.262 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -75.162 tors. eta vs tors. theta energy: -146.268 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: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1772.791626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.791626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.791626 (E_RNA) where: Base-Base interactions energy: -1254.262 where: short stacking energy: -580.850 Base-Backbone interact. energy: -2.469 local terms energy: -516.060390 where: bonds (distance) C4'-P energy: -81.790 bonds (distance) P-C4' energy: -89.332 flat angles C4'-P-C4' energy: -113.042 flat angles P-C4'-P energy: -71.062 tors. eta vs tors. theta energy: -160.835 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: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1721.139014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.139014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.139014 (E_RNA) where: Base-Base interactions energy: -1244.754 where: short stacking energy: -562.324 Base-Backbone interact. energy: -2.522 local terms energy: -473.863709 where: bonds (distance) C4'-P energy: -94.539 bonds (distance) P-C4' energy: -81.892 flat angles C4'-P-C4' energy: -92.984 flat angles P-C4'-P energy: -63.247 tors. eta vs tors. theta energy: -141.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1673.889555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.889555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.889555 (E_RNA) where: Base-Base interactions energy: -1199.890 where: short stacking energy: -522.161 Base-Backbone interact. energy: 3.830 local terms energy: -477.829319 where: bonds (distance) C4'-P energy: -77.068 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -105.026 flat angles P-C4'-P energy: -65.269 tors. eta vs tors. theta energy: -145.559 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: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1586.505981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.505981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.505981 (E_RNA) where: Base-Base interactions energy: -1138.546 where: short stacking energy: -534.340 Base-Backbone interact. energy: 0.146 local terms energy: -448.106402 where: bonds (distance) C4'-P energy: -63.089 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -98.343 flat angles P-C4'-P energy: -66.381 tors. eta vs tors. theta energy: -133.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1539.637753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.637753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.637753 (E_RNA) where: Base-Base interactions energy: -1117.388 where: short stacking energy: -500.911 Base-Backbone interact. energy: 0.015 local terms energy: -422.265307 where: bonds (distance) C4'-P energy: -68.973 bonds (distance) P-C4' energy: -71.821 flat angles C4'-P-C4' energy: -97.176 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -127.477 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: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1334.003607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.003607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.003607 (E_RNA) where: Base-Base interactions energy: -955.638 where: short stacking energy: -433.148 Base-Backbone interact. energy: 2.330 local terms energy: -380.695670 where: bonds (distance) C4'-P energy: -80.862 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -79.661 flat angles P-C4'-P energy: -44.626 tors. eta vs tors. theta energy: -112.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1336.363455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.363455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.363455 (E_RNA) where: Base-Base interactions energy: -925.210 where: short stacking energy: -440.281 Base-Backbone interact. energy: 2.181 local terms energy: -413.335258 where: bonds (distance) C4'-P energy: -76.723 bonds (distance) P-C4' energy: -78.515 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -58.016 tors. eta vs tors. theta energy: -106.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1932.187027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.187027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.187027 (E_RNA) where: Base-Base interactions energy: -1385.101 where: short stacking energy: -646.583 Base-Backbone interact. energy: -3.008 local terms energy: -544.078573 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -95.161 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -75.638 tors. eta vs tors. theta energy: -170.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1831.311183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.311183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.311183 (E_RNA) where: Base-Base interactions energy: -1308.188 where: short stacking energy: -583.985 Base-Backbone interact. energy: -2.070 local terms energy: -521.053497 where: bonds (distance) C4'-P energy: -92.947 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -113.982 flat angles P-C4'-P energy: -75.107 tors. eta vs tors. theta energy: -147.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1826.231012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.231012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.231012 (E_RNA) where: Base-Base interactions energy: -1310.247 where: short stacking energy: -589.504 Base-Backbone interact. energy: -2.445 local terms energy: -513.539354 where: bonds (distance) C4'-P energy: -81.996 bonds (distance) P-C4' energy: -79.364 flat angles C4'-P-C4' energy: -110.956 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -164.479 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: 197 Temperature: 1.050000 Total energy: -1816.149965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.149965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.149965 (E_RNA) where: Base-Base interactions energy: -1297.242 where: short stacking energy: -590.026 Base-Backbone interact. energy: 0.760 local terms energy: -519.667338 where: bonds (distance) C4'-P energy: -94.328 bonds (distance) P-C4' energy: -99.845 flat angles C4'-P-C4' energy: -107.524 flat angles P-C4'-P energy: -65.945 tors. eta vs tors. theta energy: -152.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1693.794459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.794459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.794459 (E_RNA) where: Base-Base interactions energy: -1222.737 where: short stacking energy: -553.751 Base-Backbone interact. energy: -0.078 local terms energy: -470.978947 where: bonds (distance) C4'-P energy: -76.263 bonds (distance) P-C4' energy: -77.747 flat angles C4'-P-C4' energy: -107.297 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -142.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1679.416814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.416814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.416814 (E_RNA) where: Base-Base interactions energy: -1205.665 where: short stacking energy: -512.418 Base-Backbone interact. energy: -3.416 local terms energy: -470.335512 where: bonds (distance) C4'-P energy: -83.812 bonds (distance) P-C4' energy: -88.683 flat angles C4'-P-C4' energy: -105.768 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -137.239 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: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1570.158479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.158479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.158479 (E_RNA) where: Base-Base interactions energy: -1129.603 where: short stacking energy: -527.853 Base-Backbone interact. energy: 0.437 local terms energy: -440.991924 where: bonds (distance) C4'-P energy: -74.181 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -90.377 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -140.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1540.909311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.909311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.909311 (E_RNA) where: Base-Base interactions energy: -1083.496 where: short stacking energy: -478.013 Base-Backbone interact. energy: -0.932 local terms energy: -456.481362 where: bonds (distance) C4'-P energy: -82.253 bonds (distance) P-C4' energy: -79.074 flat angles C4'-P-C4' energy: -103.966 flat angles P-C4'-P energy: -66.697 tors. eta vs tors. theta energy: -124.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1401.147534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.147534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.147534 (E_RNA) where: Base-Base interactions energy: -992.035 where: short stacking energy: -461.683 Base-Backbone interact. energy: -0.327 local terms energy: -408.785546 where: bonds (distance) C4'-P energy: -81.205 bonds (distance) P-C4' energy: -67.608 flat angles C4'-P-C4' energy: -85.015 flat angles P-C4'-P energy: -62.041 tors. eta vs tors. theta energy: -112.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1273.582393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.582393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.582393 (E_RNA) where: Base-Base interactions energy: -899.138 where: short stacking energy: -425.175 Base-Backbone interact. energy: -0.569 local terms energy: -373.874974 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -73.976 flat angles C4'-P-C4' energy: -88.479 flat angles P-C4'-P energy: -59.473 tors. eta vs tors. theta energy: -100.243 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: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1943.520802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.520802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.520802 (E_RNA) where: Base-Base interactions energy: -1393.126 where: short stacking energy: -633.706 Base-Backbone interact. energy: -1.609 local terms energy: -548.786477 where: bonds (distance) C4'-P energy: -95.472 bonds (distance) P-C4' energy: -87.235 flat angles C4'-P-C4' energy: -119.424 flat angles P-C4'-P energy: -77.814 tors. eta vs tors. theta energy: -168.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1833.831092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.831092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.831092 (E_RNA) where: Base-Base interactions energy: -1314.814 where: short stacking energy: -590.550 Base-Backbone interact. energy: -1.906 local terms energy: -517.110535 where: bonds (distance) C4'-P energy: -81.586 bonds (distance) P-C4' energy: -97.327 flat angles C4'-P-C4' energy: -106.538 flat angles P-C4'-P energy: -78.133 tors. eta vs tors. theta energy: -153.527 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: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1839.869972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.869972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.869972 (E_RNA) where: Base-Base interactions energy: -1333.198 where: short stacking energy: -607.084 Base-Backbone interact. energy: -0.956 local terms energy: -505.716184 where: bonds (distance) C4'-P energy: -88.849 bonds (distance) P-C4' energy: -87.481 flat angles C4'-P-C4' energy: -103.505 flat angles P-C4'-P energy: -65.353 tors. eta vs tors. theta energy: -160.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1815.811490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.811490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.811490 (E_RNA) where: Base-Base interactions energy: -1322.822 where: short stacking energy: -602.068 Base-Backbone interact. energy: -0.472 local terms energy: -492.518154 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -87.018 flat angles C4'-P-C4' energy: -100.233 flat angles P-C4'-P energy: -71.392 tors. eta vs tors. theta energy: -150.753 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: 198 Temperature: 1.100000 Total energy: -1717.868352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.868352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.868352 (E_RNA) where: Base-Base interactions energy: -1241.383 where: short stacking energy: -572.236 Base-Backbone interact. energy: -1.040 local terms energy: -475.445907 where: bonds (distance) C4'-P energy: -84.040 bonds (distance) P-C4' energy: -76.292 flat angles C4'-P-C4' energy: -100.796 flat angles P-C4'-P energy: -54.194 tors. eta vs tors. theta energy: -160.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1650.084785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.084785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.084785 (E_RNA) where: Base-Base interactions energy: -1196.429 where: short stacking energy: -547.739 Base-Backbone interact. energy: -1.991 local terms energy: -451.664634 where: bonds (distance) C4'-P energy: -67.445 bonds (distance) P-C4' energy: -73.379 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -58.648 tors. eta vs tors. theta energy: -145.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1588.140852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.140852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.140852 (E_RNA) where: Base-Base interactions energy: -1123.455 where: short stacking energy: -521.448 Base-Backbone interact. energy: 0.266 local terms energy: -464.952601 where: bonds (distance) C4'-P energy: -87.572 bonds (distance) P-C4' energy: -79.842 flat angles C4'-P-C4' energy: -97.434 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -131.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1558.898697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.898697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.898697 (E_RNA) where: Base-Base interactions energy: -1102.070 where: short stacking energy: -492.217 Base-Backbone interact. energy: -3.270 local terms energy: -453.558214 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -74.795 flat angles C4'-P-C4' energy: -108.175 flat angles P-C4'-P energy: -63.671 tors. eta vs tors. theta energy: -142.277 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: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1367.346505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.346505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.346505 (E_RNA) where: Base-Base interactions energy: -975.125 where: short stacking energy: -442.214 Base-Backbone interact. energy: 0.154 local terms energy: -392.375576 where: bonds (distance) C4'-P energy: -46.213 bonds (distance) P-C4' energy: -75.743 flat angles C4'-P-C4' energy: -90.457 flat angles P-C4'-P energy: -67.947 tors. eta vs tors. theta energy: -112.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1301.992360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.992360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.992360 (E_RNA) where: Base-Base interactions energy: -930.749 where: short stacking energy: -433.270 Base-Backbone interact. energy: -0.008 local terms energy: -371.235776 where: bonds (distance) C4'-P energy: -61.441 bonds (distance) P-C4' energy: -49.815 flat angles C4'-P-C4' energy: -98.730 flat angles P-C4'-P energy: -58.130 tors. eta vs tors. theta energy: -103.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1934.320592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.320592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.320592 (E_RNA) where: Base-Base interactions energy: -1368.265 where: short stacking energy: -629.331 Base-Backbone interact. energy: -0.811 local terms energy: -565.244509 where: bonds (distance) C4'-P energy: -97.897 bonds (distance) P-C4' energy: -100.344 flat angles C4'-P-C4' energy: -115.992 flat angles P-C4'-P energy: -82.533 tors. eta vs tors. theta energy: -168.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1854.242276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.242276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.242276 (E_RNA) where: Base-Base interactions energy: -1313.377 where: short stacking energy: -589.612 Base-Backbone interact. energy: -1.635 local terms energy: -539.230368 where: bonds (distance) C4'-P energy: -91.905 bonds (distance) P-C4' energy: -99.050 flat angles C4'-P-C4' energy: -115.651 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: -159.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1810.889571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.889571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.889571 (E_RNA) where: Base-Base interactions energy: -1300.616 where: short stacking energy: -573.915 Base-Backbone interact. energy: -2.068 local terms energy: -508.206119 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -83.404 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -150.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1779.387801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.387801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.387801 (E_RNA) where: Base-Base interactions energy: -1279.106 where: short stacking energy: -560.216 Base-Backbone interact. energy: -1.860 local terms energy: -498.421964 where: bonds (distance) C4'-P energy: -92.405 bonds (distance) P-C4' energy: -81.260 flat angles C4'-P-C4' energy: -105.227 flat angles P-C4'-P energy: -67.564 tors. eta vs tors. theta energy: -151.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1697.103551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.103551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.103551 (E_RNA) where: Base-Base interactions energy: -1212.710 where: short stacking energy: -526.011 Base-Backbone interact. energy: 0.938 local terms energy: -485.331084 where: bonds (distance) C4'-P energy: -83.370 bonds (distance) P-C4' energy: -93.809 flat angles C4'-P-C4' energy: -96.938 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: -139.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1649.960875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.960875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.960875 (E_RNA) where: Base-Base interactions energy: -1198.163 where: short stacking energy: -546.224 Base-Backbone interact. energy: -3.301 local terms energy: -448.496219 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -75.270 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -146.315 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1601.382734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.382734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.382734 (E_RNA) where: Base-Base interactions energy: -1133.967 where: short stacking energy: -532.835 Base-Backbone interact. energy: -0.025 local terms energy: -467.390920 where: bonds (distance) C4'-P energy: -77.487 bonds (distance) P-C4' energy: -92.416 flat angles C4'-P-C4' energy: -89.861 flat angles P-C4'-P energy: -70.130 tors. eta vs tors. theta energy: -137.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1549.398139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.398139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.398139 (E_RNA) where: Base-Base interactions energy: -1112.488 where: short stacking energy: -512.642 Base-Backbone interact. energy: -1.164 local terms energy: -435.746258 where: bonds (distance) C4'-P energy: -76.696 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -88.196 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -135.637 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: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1361.212620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.212620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.212620 (E_RNA) where: Base-Base interactions energy: -986.486 where: short stacking energy: -444.625 Base-Backbone interact. energy: -0.361 local terms energy: -374.365614 where: bonds (distance) C4'-P energy: -81.304 bonds (distance) P-C4' energy: -50.026 flat angles C4'-P-C4' energy: -91.809 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: -106.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1288.532944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.532944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.532944 (E_RNA) where: Base-Base interactions energy: -878.652 where: short stacking energy: -412.027 Base-Backbone interact. energy: 2.051 local terms energy: -411.931700 where: bonds (distance) C4'-P energy: -76.860 bonds (distance) P-C4' energy: -76.209 flat angles C4'-P-C4' energy: -93.458 flat angles P-C4'-P energy: -58.187 tors. eta vs tors. theta energy: -107.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1953.244970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.244970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.244970 (E_RNA) where: Base-Base interactions energy: -1382.289 where: short stacking energy: -636.756 Base-Backbone interact. energy: -3.169 local terms energy: -567.786924 where: bonds (distance) C4'-P energy: -90.774 bonds (distance) P-C4' energy: -104.688 flat angles C4'-P-C4' energy: -118.368 flat angles P-C4'-P energy: -83.972 tors. eta vs tors. theta energy: -169.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1859.300530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.300530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.300530 (E_RNA) where: Base-Base interactions energy: -1321.823 where: short stacking energy: -597.861 Base-Backbone interact. energy: -1.287 local terms energy: -536.191166 where: bonds (distance) C4'-P energy: -98.300 bonds (distance) P-C4' energy: -86.975 flat angles C4'-P-C4' energy: -104.366 flat angles P-C4'-P energy: -83.780 tors. eta vs tors. theta energy: -162.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1814.845048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.845048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.845048 (E_RNA) where: Base-Base interactions energy: -1273.944 where: short stacking energy: -577.704 Base-Backbone interact. energy: -1.383 local terms energy: -539.518106 where: bonds (distance) C4'-P energy: -93.788 bonds (distance) P-C4' energy: -99.895 flat angles C4'-P-C4' energy: -113.822 flat angles P-C4'-P energy: -75.176 tors. eta vs tors. theta energy: -156.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1749.731866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.731866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.731866 (E_RNA) where: Base-Base interactions energy: -1278.406 where: short stacking energy: -560.059 Base-Backbone interact. energy: 0.199 local terms energy: -471.524788 where: bonds (distance) C4'-P energy: -90.019 bonds (distance) P-C4' energy: -88.621 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -53.392 tors. eta vs tors. theta energy: -147.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1726.101845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.101845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.101845 (E_RNA) where: Base-Base interactions energy: -1246.594 where: short stacking energy: -579.108 Base-Backbone interact. energy: 1.602 local terms energy: -481.109974 where: bonds (distance) C4'-P energy: -72.575 bonds (distance) P-C4' energy: -83.706 flat angles C4'-P-C4' energy: -103.043 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -152.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1672.602026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.602026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.602026 (E_RNA) where: Base-Base interactions energy: -1212.021 where: short stacking energy: -539.338 Base-Backbone interact. energy: -0.636 local terms energy: -459.944941 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -78.793 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -141.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1602.819863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.819863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.819863 (E_RNA) where: Base-Base interactions energy: -1157.185 where: short stacking energy: -530.908 Base-Backbone interact. energy: -0.245 local terms energy: -445.390215 where: bonds (distance) C4'-P energy: -74.405 bonds (distance) P-C4' energy: -70.237 flat angles C4'-P-C4' energy: -100.783 flat angles P-C4'-P energy: -52.577 tors. eta vs tors. theta energy: -147.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1539.319003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.319003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.319003 (E_RNA) where: Base-Base interactions energy: -1093.437 where: short stacking energy: -495.282 Base-Backbone interact. energy: 4.281 local terms energy: -450.162986 where: bonds (distance) C4'-P energy: -83.891 bonds (distance) P-C4' energy: -81.812 flat angles C4'-P-C4' energy: -91.568 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -140.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1339.038461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.038461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.038461 (E_RNA) where: Base-Base interactions energy: -930.329 where: short stacking energy: -456.700 Base-Backbone interact. energy: 1.096 local terms energy: -409.805643 where: bonds (distance) C4'-P energy: -74.156 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -87.859 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -119.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1330.375797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.375797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.375797 (E_RNA) where: Base-Base interactions energy: -926.336 where: short stacking energy: -419.070 Base-Backbone interact. energy: -1.534 local terms energy: -402.506384 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -70.817 flat angles C4'-P-C4' energy: -83.637 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -113.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1949.813773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.813773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.813773 (E_RNA) where: Base-Base interactions energy: -1387.832 where: short stacking energy: -642.429 Base-Backbone interact. energy: -1.959 local terms energy: -560.021997 where: bonds (distance) C4'-P energy: -87.861 bonds (distance) P-C4' energy: -105.446 flat angles C4'-P-C4' energy: -113.760 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -172.273 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: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1853.686679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.686679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.686679 (E_RNA) where: Base-Base interactions energy: -1333.156 where: short stacking energy: -608.755 Base-Backbone interact. energy: -2.206 local terms energy: -518.324858 where: bonds (distance) C4'-P energy: -93.816 bonds (distance) P-C4' energy: -86.392 flat angles C4'-P-C4' energy: -99.495 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: -157.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1827.022727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.022727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.022727 (E_RNA) where: Base-Base interactions energy: -1305.381 where: short stacking energy: -597.129 Base-Backbone interact. energy: -3.900 local terms energy: -517.741424 where: bonds (distance) C4'-P energy: -87.213 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -103.622 flat angles P-C4'-P energy: -78.160 tors. eta vs tors. theta energy: -157.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1747.450947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.450947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.450947 (E_RNA) where: Base-Base interactions energy: -1252.514 where: short stacking energy: -569.208 Base-Backbone interact. energy: 3.007 local terms energy: -497.943948 where: bonds (distance) C4'-P energy: -83.929 bonds (distance) P-C4' energy: -83.469 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -68.786 tors. eta vs tors. theta energy: -149.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1710.904591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.904591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.904591 (E_RNA) where: Base-Base interactions energy: -1241.833 where: short stacking energy: -534.806 Base-Backbone interact. energy: -2.876 local terms energy: -466.195197 where: bonds (distance) C4'-P energy: -93.122 bonds (distance) P-C4' energy: -81.282 flat angles C4'-P-C4' energy: -91.001 flat angles P-C4'-P energy: -62.390 tors. eta vs tors. theta energy: -138.400 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: 201 Temperature: 1.150000 Total energy: -1625.893348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.893348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.893348 (E_RNA) where: Base-Base interactions energy: -1144.076 where: short stacking energy: -530.630 Base-Backbone interact. energy: -2.263 local terms energy: -479.554218 where: bonds (distance) C4'-P energy: -80.693 bonds (distance) P-C4' energy: -91.104 flat angles C4'-P-C4' energy: -100.476 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -142.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1623.432053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.432053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.432053 (E_RNA) where: Base-Base interactions energy: -1182.174 where: short stacking energy: -522.499 Base-Backbone interact. energy: 3.781 local terms energy: -445.039364 where: bonds (distance) C4'-P energy: -64.557 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -99.582 flat angles P-C4'-P energy: -69.189 tors. eta vs tors. theta energy: -131.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1531.234309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.234309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.234309 (E_RNA) where: Base-Base interactions energy: -1097.470 where: short stacking energy: -503.829 Base-Backbone interact. energy: -2.092 local terms energy: -431.672108 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -95.666 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -134.525 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: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1292.671015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.671015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.671015 (E_RNA) where: Base-Base interactions energy: -914.924 where: short stacking energy: -430.148 Base-Backbone interact. energy: 7.573 local terms energy: -385.319599 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -72.570 flat angles C4'-P-C4' energy: -93.510 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -94.973 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: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1328.494272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.494272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.494272 (E_RNA) where: Base-Base interactions energy: -940.363 where: short stacking energy: -413.064 Base-Backbone interact. energy: 11.594 local terms energy: -399.725158 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -89.460 flat angles C4'-P-C4' energy: -87.281 flat angles P-C4'-P energy: -50.156 tors. eta vs tors. theta energy: -113.297 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: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1905.178800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.178800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.178800 (E_RNA) where: Base-Base interactions energy: -1368.814 where: short stacking energy: -639.826 Base-Backbone interact. energy: -1.127 local terms energy: -535.237575 where: bonds (distance) C4'-P energy: -95.293 bonds (distance) P-C4' energy: -93.058 flat angles C4'-P-C4' energy: -111.528 flat angles P-C4'-P energy: -69.257 tors. eta vs tors. theta energy: -166.101 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: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1855.415457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.415457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.415457 (E_RNA) where: Base-Base interactions energy: -1321.783 where: short stacking energy: -603.079 Base-Backbone interact. energy: -2.439 local terms energy: -531.193359 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -89.636 flat angles C4'-P-C4' energy: -113.240 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -158.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1842.923526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.923526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.923526 (E_RNA) where: Base-Base interactions energy: -1318.065 where: short stacking energy: -589.926 Base-Backbone interact. energy: -3.442 local terms energy: -521.416357 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -86.279 flat angles C4'-P-C4' energy: -99.264 flat angles P-C4'-P energy: -73.245 tors. eta vs tors. theta energy: -169.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1744.187780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.187780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.187780 (E_RNA) where: Base-Base interactions energy: -1249.413 where: short stacking energy: -574.674 Base-Backbone interact. energy: -0.713 local terms energy: -494.061602 where: bonds (distance) C4'-P energy: -94.720 bonds (distance) P-C4' energy: -84.704 flat angles C4'-P-C4' energy: -102.503 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -146.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1724.703314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.703314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.703314 (E_RNA) where: Base-Base interactions energy: -1232.898 where: short stacking energy: -557.333 Base-Backbone interact. energy: -1.616 local terms energy: -490.188458 where: bonds (distance) C4'-P energy: -76.821 bonds (distance) P-C4' energy: -99.252 flat angles C4'-P-C4' energy: -100.910 flat angles P-C4'-P energy: -61.940 tors. eta vs tors. theta energy: -151.265 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: 6, replica: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1624.214848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.214848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.214848 (E_RNA) where: Base-Base interactions energy: -1166.148 where: short stacking energy: -535.932 Base-Backbone interact. energy: 0.325 local terms energy: -458.391169 where: bonds (distance) C4'-P energy: -75.868 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -102.769 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -137.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1628.056368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.056368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.056368 (E_RNA) where: Base-Base interactions energy: -1184.555 where: short stacking energy: -506.739 Base-Backbone interact. energy: -1.765 local terms energy: -441.736072 where: bonds (distance) C4'-P energy: -73.824 bonds (distance) P-C4' energy: -85.835 flat angles C4'-P-C4' energy: -86.274 flat angles P-C4'-P energy: -62.202 tors. eta vs tors. theta energy: -133.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1529.215795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.215795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.215795 (E_RNA) where: Base-Base interactions energy: -1093.497 where: short stacking energy: -491.287 Base-Backbone interact. energy: -1.501 local terms energy: -434.216985 where: bonds (distance) C4'-P energy: -64.184 bonds (distance) P-C4' energy: -72.655 flat angles C4'-P-C4' energy: -100.214 flat angles P-C4'-P energy: -69.563 tors. eta vs tors. theta energy: -127.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1409.875146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.875146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.875146 (E_RNA) where: Base-Base interactions energy: -992.801 where: short stacking energy: -455.303 Base-Backbone interact. energy: 0.448 local terms energy: -417.522890 where: bonds (distance) C4'-P energy: -79.663 bonds (distance) P-C4' energy: -77.713 flat angles C4'-P-C4' energy: -88.509 flat angles P-C4'-P energy: -53.165 tors. eta vs tors. theta energy: -118.473 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: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1220.068566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.068566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.068566 (E_RNA) where: Base-Base interactions energy: -846.247 where: short stacking energy: -416.557 Base-Backbone interact. energy: 1.100 local terms energy: -374.921592 where: bonds (distance) C4'-P energy: -82.434 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -82.704 flat angles P-C4'-P energy: -44.072 tors. eta vs tors. theta energy: -103.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1914.261027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.261027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.261027 (E_RNA) where: Base-Base interactions energy: -1370.807 where: short stacking energy: -643.668 Base-Backbone interact. energy: -0.233 local terms energy: -543.220780 where: bonds (distance) C4'-P energy: -87.325 bonds (distance) P-C4' energy: -98.055 flat angles C4'-P-C4' energy: -114.988 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -163.596 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: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1851.780327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.780327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.780327 (E_RNA) where: Base-Base interactions energy: -1313.481 where: short stacking energy: -596.528 Base-Backbone interact. energy: -3.308 local terms energy: -534.990838 where: bonds (distance) C4'-P energy: -97.412 bonds (distance) P-C4' energy: -94.263 flat angles C4'-P-C4' energy: -105.355 flat angles P-C4'-P energy: -79.631 tors. eta vs tors. theta energy: -158.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1848.311533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.311533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.311533 (E_RNA) where: Base-Base interactions energy: -1338.571 where: short stacking energy: -597.393 Base-Backbone interact. energy: -3.131 local terms energy: -506.610029 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -86.444 flat angles C4'-P-C4' energy: -105.887 flat angles P-C4'-P energy: -68.702 tors. eta vs tors. theta energy: -157.337 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: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1745.747612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.747612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.747612 (E_RNA) where: Base-Base interactions energy: -1260.777 where: short stacking energy: -561.563 Base-Backbone interact. energy: -3.713 local terms energy: -481.258187 where: bonds (distance) C4'-P energy: -80.195 bonds (distance) P-C4' energy: -89.080 flat angles C4'-P-C4' energy: -104.206 flat angles P-C4'-P energy: -61.672 tors. eta vs tors. theta energy: -146.104 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: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1718.080638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.080638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.080638 (E_RNA) where: Base-Base interactions energy: -1230.020 where: short stacking energy: -561.420 Base-Backbone interact. energy: -2.232 local terms energy: -485.828613 where: bonds (distance) C4'-P energy: -74.614 bonds (distance) P-C4' energy: -87.230 flat angles C4'-P-C4' energy: -101.822 flat angles P-C4'-P energy: -65.804 tors. eta vs tors. theta energy: -156.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1655.522377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.522377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.522377 (E_RNA) where: Base-Base interactions energy: -1175.436 where: short stacking energy: -501.320 Base-Backbone interact. energy: -3.108 local terms energy: -476.978519 where: bonds (distance) C4'-P energy: -89.429 bonds (distance) P-C4' energy: -80.114 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -73.718 tors. eta vs tors. theta energy: -136.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1598.015889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.015889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.015889 (E_RNA) where: Base-Base interactions energy: -1136.478 where: short stacking energy: -515.873 Base-Backbone interact. energy: -0.885 local terms energy: -460.652591 where: bonds (distance) C4'-P energy: -82.118 bonds (distance) P-C4' energy: -82.681 flat angles C4'-P-C4' energy: -105.855 flat angles P-C4'-P energy: -53.456 tors. eta vs tors. theta energy: -136.543 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: 8, replica: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1513.075032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.075032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.075032 (E_RNA) where: Base-Base interactions energy: -1083.909 where: short stacking energy: -480.791 Base-Backbone interact. energy: -1.903 local terms energy: -427.262497 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -76.456 flat angles C4'-P-C4' energy: -95.766 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -135.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1371.087541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.087541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.087541 (E_RNA) where: Base-Base interactions energy: -978.768 where: short stacking energy: -443.700 Base-Backbone interact. energy: 1.314 local terms energy: -393.634213 where: bonds (distance) C4'-P energy: -75.939 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -84.150 flat angles P-C4'-P energy: -58.454 tors. eta vs tors. theta energy: -106.145 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: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1223.033307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.033307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.033307 (E_RNA) where: Base-Base interactions energy: -844.583 where: short stacking energy: -403.317 Base-Backbone interact. energy: -1.073 local terms energy: -377.377476 where: bonds (distance) C4'-P energy: -77.905 bonds (distance) P-C4' energy: -71.666 flat angles C4'-P-C4' energy: -81.421 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: -94.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1908.023921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.023921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.023921 (E_RNA) where: Base-Base interactions energy: -1355.043 where: short stacking energy: -635.439 Base-Backbone interact. energy: -0.477 local terms energy: -552.504034 where: bonds (distance) C4'-P energy: -95.995 bonds (distance) P-C4' energy: -101.120 flat angles C4'-P-C4' energy: -116.885 flat angles P-C4'-P energy: -74.382 tors. eta vs tors. theta energy: -164.123 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: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1845.398940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.398940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.398940 (E_RNA) where: Base-Base interactions energy: -1321.324 where: short stacking energy: -590.871 Base-Backbone interact. energy: -3.786 local terms energy: -520.288898 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -113.405 flat angles P-C4'-P energy: -77.741 tors. eta vs tors. theta energy: -154.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1854.373789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.373789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.373789 (E_RNA) where: Base-Base interactions energy: -1324.415 where: short stacking energy: -588.370 Base-Backbone interact. energy: -2.509 local terms energy: -527.449337 where: bonds (distance) C4'-P energy: -92.090 bonds (distance) P-C4' energy: -96.796 flat angles C4'-P-C4' energy: -107.969 flat angles P-C4'-P energy: -70.655 tors. eta vs tors. theta energy: -159.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1740.429978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.429978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.429978 (E_RNA) where: Base-Base interactions energy: -1253.610 where: short stacking energy: -549.346 Base-Backbone interact. energy: -2.737 local terms energy: -484.082948 where: bonds (distance) C4'-P energy: -90.161 bonds (distance) P-C4' energy: -79.093 flat angles C4'-P-C4' energy: -109.415 flat angles P-C4'-P energy: -64.165 tors. eta vs tors. theta energy: -141.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1704.170500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.170500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.170500 (E_RNA) where: Base-Base interactions energy: -1215.742 where: short stacking energy: -545.773 Base-Backbone interact. energy: 0.008 local terms energy: -488.437190 where: bonds (distance) C4'-P energy: -92.695 bonds (distance) P-C4' energy: -84.068 flat angles C4'-P-C4' energy: -103.923 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -139.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1686.388057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.388057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.388057 (E_RNA) where: Base-Base interactions energy: -1205.315 where: short stacking energy: -534.619 Base-Backbone interact. energy: -1.043 local terms energy: -480.030216 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -77.338 flat angles C4'-P-C4' energy: -97.575 flat angles P-C4'-P energy: -59.803 tors. eta vs tors. theta energy: -151.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1552.065227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.065227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.065227 (E_RNA) where: Base-Base interactions energy: -1108.773 where: short stacking energy: -513.461 Base-Backbone interact. energy: -0.934 local terms energy: -442.358138 where: bonds (distance) C4'-P energy: -72.433 bonds (distance) P-C4' energy: -70.420 flat angles C4'-P-C4' energy: -101.888 flat angles P-C4'-P energy: -65.153 tors. eta vs tors. theta energy: -132.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1557.240085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.240085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.240085 (E_RNA) where: Base-Base interactions energy: -1114.408 where: short stacking energy: -509.781 Base-Backbone interact. energy: -2.375 local terms energy: -440.456965 where: bonds (distance) C4'-P energy: -85.450 bonds (distance) P-C4' energy: -71.685 flat angles C4'-P-C4' energy: -102.803 flat angles P-C4'-P energy: -46.195 tors. eta vs tors. theta energy: -134.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1421.967033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.967033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.967033 (E_RNA) where: Base-Base interactions energy: -1032.184 where: short stacking energy: -470.168 Base-Backbone interact. energy: -1.319 local terms energy: -388.464286 where: bonds (distance) C4'-P energy: -65.084 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -86.871 flat angles P-C4'-P energy: -49.186 tors. eta vs tors. theta energy: -130.012 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: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1186.436696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.436696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.436696 (E_RNA) where: Base-Base interactions energy: -815.582 where: short stacking energy: -383.610 Base-Backbone interact. energy: -0.645 local terms energy: -370.208842 where: bonds (distance) C4'-P energy: -76.676 bonds (distance) P-C4' energy: -71.237 flat angles C4'-P-C4' energy: -85.324 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -87.658 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: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1921.452379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.452379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.452379 (E_RNA) where: Base-Base interactions energy: -1364.422 where: short stacking energy: -645.827 Base-Backbone interact. energy: -0.978 local terms energy: -556.053144 where: bonds (distance) C4'-P energy: -92.899 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -116.198 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -167.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1860.481515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.481515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.481515 (E_RNA) where: Base-Base interactions energy: -1316.592 where: short stacking energy: -596.409 Base-Backbone interact. energy: -2.116 local terms energy: -541.774433 where: bonds (distance) C4'-P energy: -88.535 bonds (distance) P-C4' energy: -108.142 flat angles C4'-P-C4' energy: -116.804 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: -158.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1849.568916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.568916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.568916 (E_RNA) where: Base-Base interactions energy: -1329.846 where: short stacking energy: -583.781 Base-Backbone interact. energy: -1.510 local terms energy: -518.212669 where: bonds (distance) C4'-P energy: -99.884 bonds (distance) P-C4' energy: -92.584 flat angles C4'-P-C4' energy: -107.298 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -155.609 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: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1753.563270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.563270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.563270 (E_RNA) where: Base-Base interactions energy: -1278.867 where: short stacking energy: -549.690 Base-Backbone interact. energy: -0.971 local terms energy: -473.726209 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -79.422 flat angles C4'-P-C4' energy: -101.744 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -140.669 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: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1677.187791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.187791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.187791 (E_RNA) where: Base-Base interactions energy: -1193.214 where: short stacking energy: -552.491 Base-Backbone interact. energy: -0.661 local terms energy: -483.312675 where: bonds (distance) C4'-P energy: -81.059 bonds (distance) P-C4' energy: -81.456 flat angles C4'-P-C4' energy: -106.388 flat angles P-C4'-P energy: -68.641 tors. eta vs tors. theta energy: -145.769 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: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1684.218908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.218908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.218908 (E_RNA) where: Base-Base interactions energy: -1191.629 where: short stacking energy: -547.970 Base-Backbone interact. energy: -3.388 local terms energy: -489.202369 where: bonds (distance) C4'-P energy: -90.111 bonds (distance) P-C4' energy: -86.697 flat angles C4'-P-C4' energy: -106.760 flat angles P-C4'-P energy: -59.056 tors. eta vs tors. theta energy: -146.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1559.682191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.682191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.682191 (E_RNA) where: Base-Base interactions energy: -1141.183 where: short stacking energy: -532.610 Base-Backbone interact. energy: 2.829 local terms energy: -421.327428 where: bonds (distance) C4'-P energy: -74.990 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -85.228 flat angles P-C4'-P energy: -57.205 tors. eta vs tors. theta energy: -135.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1546.739363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.739363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.739363 (E_RNA) where: Base-Base interactions energy: -1112.079 where: short stacking energy: -498.245 Base-Backbone interact. energy: -1.760 local terms energy: -432.899593 where: bonds (distance) C4'-P energy: -76.649 bonds (distance) P-C4' energy: -83.152 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -53.570 tors. eta vs tors. theta energy: -129.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1420.542642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.542642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.542642 (E_RNA) where: Base-Base interactions energy: -996.844 where: short stacking energy: -453.093 Base-Backbone interact. energy: -2.316 local terms energy: -421.383247 where: bonds (distance) C4'-P energy: -78.102 bonds (distance) P-C4' energy: -75.643 flat angles C4'-P-C4' energy: -86.299 flat angles P-C4'-P energy: -61.722 tors. eta vs tors. theta energy: -119.617 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: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1184.389201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.389201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.389201 (E_RNA) where: Base-Base interactions energy: -799.484 where: short stacking energy: -400.665 Base-Backbone interact. energy: 1.951 local terms energy: -386.855553 where: bonds (distance) C4'-P energy: -63.857 bonds (distance) P-C4' energy: -88.667 flat angles C4'-P-C4' energy: -79.820 flat angles P-C4'-P energy: -58.099 tors. eta vs tors. theta energy: -96.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1871.995847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.995847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.995847 (E_RNA) where: Base-Base interactions energy: -1336.013 where: short stacking energy: -605.156 Base-Backbone interact. energy: -1.363 local terms energy: -534.620086 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -99.846 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -162.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1910.574549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.574549 (E_RNA) where: Base-Base interactions energy: -1366.206 where: short stacking energy: -644.732 Base-Backbone interact. energy: -1.826 local terms energy: -542.542147 where: bonds (distance) C4'-P energy: -89.483 bonds (distance) P-C4' energy: -92.492 flat angles C4'-P-C4' energy: -116.296 flat angles P-C4'-P energy: -75.766 tors. eta vs tors. theta energy: -168.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1851.764050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.764050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.764050 (E_RNA) where: Base-Base interactions energy: -1336.197 where: short stacking energy: -594.601 Base-Backbone interact. energy: -2.238 local terms energy: -513.329446 where: bonds (distance) C4'-P energy: -93.879 bonds (distance) P-C4' energy: -89.585 flat angles C4'-P-C4' energy: -101.277 flat angles P-C4'-P energy: -68.091 tors. eta vs tors. theta energy: -160.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1757.070572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.070572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.070572 (E_RNA) where: Base-Base interactions energy: -1285.391 where: short stacking energy: -548.264 Base-Backbone interact. energy: 0.474 local terms energy: -472.154025 where: bonds (distance) C4'-P energy: -77.934 bonds (distance) P-C4' energy: -96.578 flat angles C4'-P-C4' energy: -100.936 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: -143.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1684.503628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.503628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.503628 (E_RNA) where: Base-Base interactions energy: -1224.588 where: short stacking energy: -540.881 Base-Backbone interact. energy: -1.997 local terms energy: -457.918724 where: bonds (distance) C4'-P energy: -75.941 bonds (distance) P-C4' energy: -82.444 flat angles C4'-P-C4' energy: -105.421 flat angles P-C4'-P energy: -47.545 tors. eta vs tors. theta energy: -146.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1648.520614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.520614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.520614 (E_RNA) where: Base-Base interactions energy: -1188.531 where: short stacking energy: -538.360 Base-Backbone interact. energy: -2.755 local terms energy: -457.234667 where: bonds (distance) C4'-P energy: -83.811 bonds (distance) P-C4' energy: -75.481 flat angles C4'-P-C4' energy: -101.960 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -144.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1615.881395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.881395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.881395 (E_RNA) where: Base-Base interactions energy: -1153.563 where: short stacking energy: -531.353 Base-Backbone interact. energy: -0.659 local terms energy: -461.658859 where: bonds (distance) C4'-P energy: -92.342 bonds (distance) P-C4' energy: -76.665 flat angles C4'-P-C4' energy: -92.426 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -136.000 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: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1568.197805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.197805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.197805 (E_RNA) where: Base-Base interactions energy: -1100.664 where: short stacking energy: -519.382 Base-Backbone interact. energy: -0.159 local terms energy: -467.374557 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -74.057 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -136.888 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: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1417.957233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.957233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.957233 (E_RNA) where: Base-Base interactions energy: -1005.711 where: short stacking energy: -452.456 Base-Backbone interact. energy: -1.888 local terms energy: -410.358340 where: bonds (distance) C4'-P energy: -76.487 bonds (distance) P-C4' energy: -71.274 flat angles C4'-P-C4' energy: -89.765 flat angles P-C4'-P energy: -48.745 tors. eta vs tors. theta energy: -124.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1225.376844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.376844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.376844 (E_RNA) where: Base-Base interactions energy: -841.457 where: short stacking energy: -385.201 Base-Backbone interact. energy: -1.622 local terms energy: -382.297924 where: bonds (distance) C4'-P energy: -57.544 bonds (distance) P-C4' energy: -80.350 flat angles C4'-P-C4' energy: -86.966 flat angles P-C4'-P energy: -62.955 tors. eta vs tors. theta energy: -94.483 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: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1870.719224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.719224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.719224 (E_RNA) where: Base-Base interactions energy: -1343.855 where: short stacking energy: -598.154 Base-Backbone interact. energy: -1.160 local terms energy: -525.703677 where: bonds (distance) C4'-P energy: -85.519 bonds (distance) P-C4' energy: -98.848 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -159.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1894.606736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.606736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.606736 (E_RNA) where: Base-Base interactions energy: -1359.949 where: short stacking energy: -641.810 Base-Backbone interact. energy: -0.190 local terms energy: -534.467478 where: bonds (distance) C4'-P energy: -84.733 bonds (distance) P-C4' energy: -92.490 flat angles C4'-P-C4' energy: -116.408 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -167.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1840.303762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.303762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.303762 (E_RNA) where: Base-Base interactions energy: -1325.124 where: short stacking energy: -593.122 Base-Backbone interact. energy: -1.922 local terms energy: -513.257128 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -79.864 flat angles C4'-P-C4' energy: -114.057 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -164.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1764.158931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.158931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.158931 (E_RNA) where: Base-Base interactions energy: -1290.797 where: short stacking energy: -558.872 Base-Backbone interact. energy: -4.118 local terms energy: -469.243881 where: bonds (distance) C4'-P energy: -68.526 bonds (distance) P-C4' energy: -76.214 flat angles C4'-P-C4' energy: -102.140 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -146.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1690.859000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.859000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.859000 (E_RNA) where: Base-Base interactions energy: -1220.800 where: short stacking energy: -542.716 Base-Backbone interact. energy: -3.501 local terms energy: -466.557962 where: bonds (distance) C4'-P energy: -78.220 bonds (distance) P-C4' energy: -83.243 flat angles C4'-P-C4' energy: -104.209 flat angles P-C4'-P energy: -68.052 tors. eta vs tors. theta energy: -132.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1649.065037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.065037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.065037 (E_RNA) where: Base-Base interactions energy: -1189.303 where: short stacking energy: -550.731 Base-Backbone interact. energy: -0.462 local terms energy: -459.299859 where: bonds (distance) C4'-P energy: -80.526 bonds (distance) P-C4' energy: -66.988 flat angles C4'-P-C4' energy: -101.995 flat angles P-C4'-P energy: -65.026 tors. eta vs tors. theta energy: -144.765 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: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1605.179618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.179618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.179618 (E_RNA) where: Base-Base interactions energy: -1148.245 where: short stacking energy: -528.320 Base-Backbone interact. energy: -1.494 local terms energy: -455.440276 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -82.978 flat angles C4'-P-C4' energy: -91.663 flat angles P-C4'-P energy: -57.273 tors. eta vs tors. theta energy: -139.608 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: 207 Temperature: 1.250000 Total energy: -1576.916929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.916929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.916929 (E_RNA) where: Base-Base interactions energy: -1104.578 where: short stacking energy: -523.816 Base-Backbone interact. energy: -0.138 local terms energy: -472.200679 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -86.485 flat angles C4'-P-C4' energy: -96.333 flat angles P-C4'-P energy: -67.045 tors. eta vs tors. theta energy: -140.236 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: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1389.501887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.501887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.501887 (E_RNA) where: Base-Base interactions energy: -1009.510 where: short stacking energy: -445.447 Base-Backbone interact. energy: -2.346 local terms energy: -377.645897 where: bonds (distance) C4'-P energy: -62.266 bonds (distance) P-C4' energy: -78.024 flat angles C4'-P-C4' energy: -84.486 flat angles P-C4'-P energy: -39.950 tors. eta vs tors. theta energy: -112.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1193.538197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.538197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.538197 (E_RNA) where: Base-Base interactions energy: -837.242 where: short stacking energy: -398.074 Base-Backbone interact. energy: -1.322 local terms energy: -354.974508 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -68.178 flat angles C4'-P-C4' energy: -84.299 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -80.162 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: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1903.931682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.931682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.931682 (E_RNA) where: Base-Base interactions energy: -1360.916 where: short stacking energy: -627.684 Base-Backbone interact. energy: -0.796 local terms energy: -542.219940 where: bonds (distance) C4'-P energy: -101.747 bonds (distance) P-C4' energy: -96.808 flat angles C4'-P-C4' energy: -100.434 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -169.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1856.323671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.323671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.323671 (E_RNA) where: Base-Base interactions energy: -1332.876 where: short stacking energy: -586.263 Base-Backbone interact. energy: -2.729 local terms energy: -520.718809 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -84.429 flat angles C4'-P-C4' energy: -113.260 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -159.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1839.975291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.975291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.975291 (E_RNA) where: Base-Base interactions energy: -1328.721 where: short stacking energy: -580.480 Base-Backbone interact. energy: 0.999 local terms energy: -512.253166 where: bonds (distance) C4'-P energy: -89.618 bonds (distance) P-C4' energy: -87.109 flat angles C4'-P-C4' energy: -111.051 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -161.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1767.800759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.800759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.800759 (E_RNA) where: Base-Base interactions energy: -1282.116 where: short stacking energy: -565.347 Base-Backbone interact. energy: -1.581 local terms energy: -484.103494 where: bonds (distance) C4'-P energy: -86.210 bonds (distance) P-C4' energy: -87.600 flat angles C4'-P-C4' energy: -102.707 flat angles P-C4'-P energy: -60.508 tors. eta vs tors. theta energy: -147.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1678.749109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.749109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.749109 (E_RNA) where: Base-Base interactions energy: -1222.887 where: short stacking energy: -542.851 Base-Backbone interact. energy: -2.050 local terms energy: -453.811732 where: bonds (distance) C4'-P energy: -83.169 bonds (distance) P-C4' energy: -80.162 flat angles C4'-P-C4' energy: -97.762 flat angles P-C4'-P energy: -54.736 tors. eta vs tors. theta energy: -137.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1636.945318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.945318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.945318 (E_RNA) where: Base-Base interactions energy: -1131.170 where: short stacking energy: -520.131 Base-Backbone interact. energy: -0.863 local terms energy: -504.912453 where: bonds (distance) C4'-P energy: -92.169 bonds (distance) P-C4' energy: -92.130 flat angles C4'-P-C4' energy: -99.435 flat angles P-C4'-P energy: -74.190 tors. eta vs tors. theta energy: -146.987 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: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1574.290913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.290913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.290913 (E_RNA) where: Base-Base interactions energy: -1118.054 where: short stacking energy: -515.397 Base-Backbone interact. energy: -0.646 local terms energy: -455.591610 where: bonds (distance) C4'-P energy: -79.499 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -89.311 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -139.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1565.561473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.561473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.561473 (E_RNA) where: Base-Base interactions energy: -1120.318 where: short stacking energy: -526.623 Base-Backbone interact. energy: -0.621 local terms energy: -444.622159 where: bonds (distance) C4'-P energy: -68.075 bonds (distance) P-C4' energy: -76.340 flat angles C4'-P-C4' energy: -93.689 flat angles P-C4'-P energy: -61.975 tors. eta vs tors. theta energy: -144.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1406.547585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.547585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.547585 (E_RNA) where: Base-Base interactions energy: -1008.611 where: short stacking energy: -441.528 Base-Backbone interact. energy: -0.637 local terms energy: -397.299374 where: bonds (distance) C4'-P energy: -73.119 bonds (distance) P-C4' energy: -69.545 flat angles C4'-P-C4' energy: -92.706 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -112.296 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: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1224.743413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.743413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.743413 (E_RNA) where: Base-Base interactions energy: -862.533 where: short stacking energy: -395.473 Base-Backbone interact. energy: -2.047 local terms energy: -360.163417 where: bonds (distance) C4'-P energy: -74.521 bonds (distance) P-C4' energy: -61.896 flat angles C4'-P-C4' energy: -64.305 flat angles P-C4'-P energy: -60.603 tors. eta vs tors. theta energy: -98.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1925.802117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.802117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.802117 (E_RNA) where: Base-Base interactions energy: -1360.049 where: short stacking energy: -629.319 Base-Backbone interact. energy: -0.871 local terms energy: -564.881671 where: bonds (distance) C4'-P energy: -107.395 bonds (distance) P-C4' energy: -93.779 flat angles C4'-P-C4' energy: -113.790 flat angles P-C4'-P energy: -80.728 tors. eta vs tors. theta energy: -169.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1842.530411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.530411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.530411 (E_RNA) where: Base-Base interactions energy: -1331.453 where: short stacking energy: -600.588 Base-Backbone interact. energy: -4.144 local terms energy: -506.933726 where: bonds (distance) C4'-P energy: -85.360 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -102.365 flat angles P-C4'-P energy: -69.208 tors. eta vs tors. theta energy: -159.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1850.209633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.209633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.209633 (E_RNA) where: Base-Base interactions energy: -1319.307 where: short stacking energy: -583.144 Base-Backbone interact. energy: -2.388 local terms energy: -528.514788 where: bonds (distance) C4'-P energy: -90.079 bonds (distance) P-C4' energy: -89.594 flat angles C4'-P-C4' energy: -113.021 flat angles P-C4'-P energy: -77.957 tors. eta vs tors. theta energy: -157.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1759.582745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.582745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.582745 (E_RNA) where: Base-Base interactions energy: -1268.374 where: short stacking energy: -560.801 Base-Backbone interact. energy: -2.757 local terms energy: -488.451522 where: bonds (distance) C4'-P energy: -90.090 bonds (distance) P-C4' energy: -85.187 flat angles C4'-P-C4' energy: -104.911 flat angles P-C4'-P energy: -60.436 tors. eta vs tors. theta energy: -147.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1697.461278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.461278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.461278 (E_RNA) where: Base-Base interactions energy: -1218.967 where: short stacking energy: -528.841 Base-Backbone interact. energy: 0.776 local terms energy: -479.270030 where: bonds (distance) C4'-P energy: -78.478 bonds (distance) P-C4' energy: -87.214 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -64.962 tors. eta vs tors. theta energy: -144.485 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: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1631.118584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.118584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.118584 (E_RNA) where: Base-Base interactions energy: -1186.815 where: short stacking energy: -507.275 Base-Backbone interact. energy: -0.738 local terms energy: -443.564809 where: bonds (distance) C4'-P energy: -94.772 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -81.763 flat angles P-C4'-P energy: -65.873 tors. eta vs tors. theta energy: -124.113 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: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1633.799688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.799688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.799688 (E_RNA) where: Base-Base interactions energy: -1155.630 where: short stacking energy: -518.804 Base-Backbone interact. energy: -4.369 local terms energy: -473.800169 where: bonds (distance) C4'-P energy: -71.771 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -94.647 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: -143.441 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: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1453.725368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.725368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.725368 (E_RNA) where: Base-Base interactions energy: -1022.385 where: short stacking energy: -492.519 Base-Backbone interact. energy: -0.755 local terms energy: -430.585989 where: bonds (distance) C4'-P energy: -76.719 bonds (distance) P-C4' energy: -91.735 flat angles C4'-P-C4' energy: -84.603 flat angles P-C4'-P energy: -48.975 tors. eta vs tors. theta energy: -128.554 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: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1440.356369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.356369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.356369 (E_RNA) where: Base-Base interactions energy: -1007.398 where: short stacking energy: -476.829 Base-Backbone interact. energy: -3.993 local terms energy: -428.965522 where: bonds (distance) C4'-P energy: -66.406 bonds (distance) P-C4' energy: -76.996 flat angles C4'-P-C4' energy: -96.754 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -127.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1237.046673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.046673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.046673 (E_RNA) where: Base-Base interactions energy: -858.261 where: short stacking energy: -375.641 Base-Backbone interact. energy: -0.834 local terms energy: -377.950979 where: bonds (distance) C4'-P energy: -71.079 bonds (distance) P-C4' energy: -80.093 flat angles C4'-P-C4' energy: -79.620 flat angles P-C4'-P energy: -52.213 tors. eta vs tors. theta energy: -94.945 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: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1916.443586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.443586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.443586 (E_RNA) where: Base-Base interactions energy: -1364.778 where: short stacking energy: -646.101 Base-Backbone interact. energy: -0.920 local terms energy: -550.745428 where: bonds (distance) C4'-P energy: -103.664 bonds (distance) P-C4' energy: -93.190 flat angles C4'-P-C4' energy: -107.603 flat angles P-C4'-P energy: -82.069 tors. eta vs tors. theta energy: -164.220 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: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1843.839059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.839059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.839059 (E_RNA) where: Base-Base interactions energy: -1327.072 where: short stacking energy: -603.128 Base-Backbone interact. energy: 1.638 local terms energy: -518.405298 where: bonds (distance) C4'-P energy: -90.905 bonds (distance) P-C4' energy: -86.301 flat angles C4'-P-C4' energy: -109.378 flat angles P-C4'-P energy: -72.277 tors. eta vs tors. theta energy: -159.544 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: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1835.227533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.227533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.227533 (E_RNA) where: Base-Base interactions energy: -1324.164 where: short stacking energy: -598.838 Base-Backbone interact. energy: -1.606 local terms energy: -509.457279 where: bonds (distance) C4'-P energy: -88.647 bonds (distance) P-C4' energy: -85.915 flat angles C4'-P-C4' energy: -101.910 flat angles P-C4'-P energy: -71.950 tors. eta vs tors. theta energy: -161.035 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: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1779.170348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.170348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.170348 (E_RNA) where: Base-Base interactions energy: -1283.562 where: short stacking energy: -561.889 Base-Backbone interact. energy: -1.700 local terms energy: -493.908910 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -96.188 flat angles C4'-P-C4' energy: -105.536 flat angles P-C4'-P energy: -55.193 tors. eta vs tors. theta energy: -150.668 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: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1688.038644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.038644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.038644 (E_RNA) where: Base-Base interactions energy: -1207.906 where: short stacking energy: -558.905 Base-Backbone interact. energy: -1.536 local terms energy: -478.596622 where: bonds (distance) C4'-P energy: -82.036 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -104.060 flat angles P-C4'-P energy: -73.169 tors. eta vs tors. theta energy: -143.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1617.932702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.932702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.932702 (E_RNA) where: Base-Base interactions energy: -1175.965 where: short stacking energy: -522.309 Base-Backbone interact. energy: -3.809 local terms energy: -438.159217 where: bonds (distance) C4'-P energy: -65.652 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -90.969 flat angles P-C4'-P energy: -64.881 tors. eta vs tors. theta energy: -139.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1609.520110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.520110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.520110 (E_RNA) where: Base-Base interactions energy: -1151.553 where: short stacking energy: -514.906 Base-Backbone interact. energy: -2.409 local terms energy: -455.558103 where: bonds (distance) C4'-P energy: -82.312 bonds (distance) P-C4' energy: -88.163 flat angles C4'-P-C4' energy: -94.343 flat angles P-C4'-P energy: -59.250 tors. eta vs tors. theta energy: -131.490 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: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1454.531742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.531742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.531742 (E_RNA) where: Base-Base interactions energy: -1016.225 where: short stacking energy: -450.650 Base-Backbone interact. energy: -2.040 local terms energy: -436.267032 where: bonds (distance) C4'-P energy: -76.270 bonds (distance) P-C4' energy: -93.659 flat angles C4'-P-C4' energy: -92.909 flat angles P-C4'-P energy: -55.172 tors. eta vs tors. theta energy: -118.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1415.486274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.486274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.486274 (E_RNA) where: Base-Base interactions energy: -1012.328 where: short stacking energy: -466.887 Base-Backbone interact. energy: -1.702 local terms energy: -401.456113 where: bonds (distance) C4'-P energy: -68.404 bonds (distance) P-C4' energy: -79.892 flat angles C4'-P-C4' energy: -87.059 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -118.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1261.832012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.832012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.832012 (E_RNA) where: Base-Base interactions energy: -869.082 where: short stacking energy: -394.844 Base-Backbone interact. energy: 0.358 local terms energy: -393.108120 where: bonds (distance) C4'-P energy: -58.612 bonds (distance) P-C4' energy: -88.398 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -46.754 tors. eta vs tors. theta energy: -100.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1928.840558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.840558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.840558 (E_RNA) where: Base-Base interactions energy: -1387.625 where: short stacking energy: -658.675 Base-Backbone interact. energy: -0.417 local terms energy: -540.799025 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -94.808 flat angles C4'-P-C4' energy: -111.101 flat angles P-C4'-P energy: -86.492 tors. eta vs tors. theta energy: -170.120 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: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1865.548750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.548750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.548750 (E_RNA) where: Base-Base interactions energy: -1336.942 where: short stacking energy: -609.589 Base-Backbone interact. energy: -1.104 local terms energy: -527.503465 where: bonds (distance) C4'-P energy: -87.351 bonds (distance) P-C4' energy: -87.978 flat angles C4'-P-C4' energy: -113.784 flat angles P-C4'-P energy: -79.815 tors. eta vs tors. theta energy: -158.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1841.286472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.286472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.286472 (E_RNA) where: Base-Base interactions energy: -1313.943 where: short stacking energy: -594.808 Base-Backbone interact. energy: -1.926 local terms energy: -525.417931 where: bonds (distance) C4'-P energy: -93.786 bonds (distance) P-C4' energy: -83.804 flat angles C4'-P-C4' energy: -109.261 flat angles P-C4'-P energy: -74.596 tors. eta vs tors. theta energy: -163.971 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: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1788.262486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.262486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.262486 (E_RNA) where: Base-Base interactions energy: -1297.407 where: short stacking energy: -570.378 Base-Backbone interact. energy: -0.617 local terms energy: -490.238822 where: bonds (distance) C4'-P energy: -85.130 bonds (distance) P-C4' energy: -84.166 flat angles C4'-P-C4' energy: -103.653 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -146.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1693.909725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.909725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.909725 (E_RNA) where: Base-Base interactions energy: -1201.866 where: short stacking energy: -536.247 Base-Backbone interact. energy: 1.011 local terms energy: -493.054285 where: bonds (distance) C4'-P energy: -103.165 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -113.261 flat angles P-C4'-P energy: -55.530 tors. eta vs tors. theta energy: -142.234 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: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1638.479762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.479762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.479762 (E_RNA) where: Base-Base interactions energy: -1156.245 where: short stacking energy: -538.187 Base-Backbone interact. energy: -3.008 local terms energy: -479.226203 where: bonds (distance) C4'-P energy: -85.767 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -106.105 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -141.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1602.003483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.003483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.003483 (E_RNA) where: Base-Base interactions energy: -1154.191 where: short stacking energy: -498.876 Base-Backbone interact. energy: -1.548 local terms energy: -446.265043 where: bonds (distance) C4'-P energy: -90.104 bonds (distance) P-C4' energy: -86.909 flat angles C4'-P-C4' energy: -84.431 flat angles P-C4'-P energy: -50.010 tors. eta vs tors. theta energy: -134.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1406.393178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.393178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.393178 (E_RNA) where: Base-Base interactions energy: -1011.043 where: short stacking energy: -451.632 Base-Backbone interact. energy: -0.027 local terms energy: -395.322929 where: bonds (distance) C4'-P energy: -62.772 bonds (distance) P-C4' energy: -66.496 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: -119.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1352.323557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.323557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.323557 (E_RNA) where: Base-Base interactions energy: -962.900 where: short stacking energy: -450.967 Base-Backbone interact. energy: 4.392 local terms energy: -393.815364 where: bonds (distance) C4'-P energy: -57.827 bonds (distance) P-C4' energy: -76.843 flat angles C4'-P-C4' energy: -81.089 flat angles P-C4'-P energy: -63.160 tors. eta vs tors. theta energy: -114.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1222.695474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.695474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.695474 (E_RNA) where: Base-Base interactions energy: -861.937 where: short stacking energy: -396.151 Base-Backbone interact. energy: -0.355 local terms energy: -360.403912 where: bonds (distance) C4'-P energy: -80.599 bonds (distance) P-C4' energy: -62.302 flat angles C4'-P-C4' energy: -86.125 flat angles P-C4'-P energy: -36.164 tors. eta vs tors. theta energy: -95.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1933.026741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.026741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.026741 (E_RNA) where: Base-Base interactions energy: -1389.460 where: short stacking energy: -644.796 Base-Backbone interact. energy: -1.294 local terms energy: -542.272788 where: bonds (distance) C4'-P energy: -92.674 bonds (distance) P-C4' energy: -100.797 flat angles C4'-P-C4' energy: -108.558 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -166.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1840.327382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.327382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.327382 (E_RNA) where: Base-Base interactions energy: -1327.102 where: short stacking energy: -610.825 Base-Backbone interact. energy: -0.941 local terms energy: -512.284614 where: bonds (distance) C4'-P energy: -62.486 bonds (distance) P-C4' energy: -99.030 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -72.787 tors. eta vs tors. theta energy: -161.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1847.277801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.277801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.277801 (E_RNA) where: Base-Base interactions energy: -1331.469 where: short stacking energy: -612.322 Base-Backbone interact. energy: -1.467 local terms energy: -514.342309 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -78.187 flat angles C4'-P-C4' energy: -111.948 flat angles P-C4'-P energy: -67.113 tors. eta vs tors. theta energy: -163.684 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: 212 Temperature: 1.050000 Total energy: -1777.202238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.202238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.202238 (E_RNA) where: Base-Base interactions energy: -1289.463 where: short stacking energy: -572.809 Base-Backbone interact. energy: -1.703 local terms energy: -486.035739 where: bonds (distance) C4'-P energy: -84.807 bonds (distance) P-C4' energy: -84.597 flat angles C4'-P-C4' energy: -94.679 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -154.832 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: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1672.561599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.561599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.561599 (E_RNA) where: Base-Base interactions energy: -1169.171 where: short stacking energy: -535.556 Base-Backbone interact. energy: -3.160 local terms energy: -500.230173 where: bonds (distance) C4'-P energy: -91.151 bonds (distance) P-C4' energy: -99.783 flat angles C4'-P-C4' energy: -99.773 flat angles P-C4'-P energy: -71.283 tors. eta vs tors. theta energy: -138.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1660.861234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.861234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.861234 (E_RNA) where: Base-Base interactions energy: -1202.622 where: short stacking energy: -522.531 Base-Backbone interact. energy: -0.860 local terms energy: -457.378650 where: bonds (distance) C4'-P energy: -86.218 bonds (distance) P-C4' energy: -84.070 flat angles C4'-P-C4' energy: -107.168 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -135.159 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: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1482.672175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.672175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.672175 (E_RNA) where: Base-Base interactions energy: -1053.770 where: short stacking energy: -501.601 Base-Backbone interact. energy: -2.023 local terms energy: -426.879407 where: bonds (distance) C4'-P energy: -72.702 bonds (distance) P-C4' energy: -74.488 flat angles C4'-P-C4' energy: -91.640 flat angles P-C4'-P energy: -61.795 tors. eta vs tors. theta energy: -126.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1559.826356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.826356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.826356 (E_RNA) where: Base-Base interactions energy: -1129.154 where: short stacking energy: -504.068 Base-Backbone interact. energy: -0.655 local terms energy: -430.017982 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -69.993 flat angles C4'-P-C4' energy: -101.007 flat angles P-C4'-P energy: -49.565 tors. eta vs tors. theta energy: -137.624 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: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1415.327060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.327060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.327060 (E_RNA) where: Base-Base interactions energy: -997.394 where: short stacking energy: -464.751 Base-Backbone interact. energy: -1.319 local terms energy: -416.614007 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -78.059 flat angles C4'-P-C4' energy: -88.740 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -114.916 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: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1241.858605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.858605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.858605 (E_RNA) where: Base-Base interactions energy: -859.724 where: short stacking energy: -411.992 Base-Backbone interact. energy: -1.417 local terms energy: -380.718072 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -90.541 flat angles C4'-P-C4' energy: -76.821 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -99.225 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1917.297651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.297651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.297651 (E_RNA) where: Base-Base interactions energy: -1386.884 where: short stacking energy: -645.270 Base-Backbone interact. energy: -1.694 local terms energy: -528.719453 where: bonds (distance) C4'-P energy: -91.440 bonds (distance) P-C4' energy: -82.693 flat angles C4'-P-C4' energy: -110.161 flat angles P-C4'-P energy: -79.749 tors. eta vs tors. theta energy: -164.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1877.666505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.666505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.666505 (E_RNA) where: Base-Base interactions energy: -1332.525 where: short stacking energy: -592.746 Base-Backbone interact. energy: -0.767 local terms energy: -544.374419 where: bonds (distance) C4'-P energy: -91.048 bonds (distance) P-C4' energy: -100.291 flat angles C4'-P-C4' energy: -109.494 flat angles P-C4'-P energy: -81.663 tors. eta vs tors. theta energy: -161.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1813.528641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.528641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.528641 (E_RNA) where: Base-Base interactions energy: -1290.053 where: short stacking energy: -576.130 Base-Backbone interact. energy: -2.395 local terms energy: -521.080743 where: bonds (distance) C4'-P energy: -89.031 bonds (distance) P-C4' energy: -93.095 flat angles C4'-P-C4' energy: -112.088 flat angles P-C4'-P energy: -67.827 tors. eta vs tors. theta energy: -159.039 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: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1765.061400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.061400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.061400 (E_RNA) where: Base-Base interactions energy: -1277.669 where: short stacking energy: -561.625 Base-Backbone interact. energy: -0.523 local terms energy: -486.870092 where: bonds (distance) C4'-P energy: -72.595 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -106.091 flat angles P-C4'-P energy: -73.129 tors. eta vs tors. theta energy: -142.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1671.906859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.906859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.906859 (E_RNA) where: Base-Base interactions energy: -1185.270 where: short stacking energy: -562.472 Base-Backbone interact. energy: -3.429 local terms energy: -483.207752 where: bonds (distance) C4'-P energy: -88.636 bonds (distance) P-C4' energy: -72.894 flat angles C4'-P-C4' energy: -101.771 flat angles P-C4'-P energy: -73.915 tors. eta vs tors. theta energy: -145.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1648.862552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.862552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.862552 (E_RNA) where: Base-Base interactions energy: -1199.183 where: short stacking energy: -536.781 Base-Backbone interact. energy: -5.425 local terms energy: -444.254435 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -72.883 flat angles C4'-P-C4' energy: -93.699 flat angles P-C4'-P energy: -64.942 tors. eta vs tors. theta energy: -137.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1537.332619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.332619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.332619 (E_RNA) where: Base-Base interactions energy: -1079.884 where: short stacking energy: -511.122 Base-Backbone interact. energy: -0.671 local terms energy: -456.777893 where: bonds (distance) C4'-P energy: -76.504 bonds (distance) P-C4' energy: -84.350 flat angles C4'-P-C4' energy: -95.127 flat angles P-C4'-P energy: -68.793 tors. eta vs tors. theta energy: -132.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1555.610868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.610868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.610868 (E_RNA) where: Base-Base interactions energy: -1130.599 where: short stacking energy: -492.313 Base-Backbone interact. energy: -0.949 local terms energy: -424.062468 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -79.819 flat angles C4'-P-C4' energy: -94.718 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -135.426 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: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1415.568976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.568976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.568976 (E_RNA) where: Base-Base interactions energy: -990.496 where: short stacking energy: -413.212 Base-Backbone interact. energy: -3.286 local terms energy: -421.786605 where: bonds (distance) C4'-P energy: -68.937 bonds (distance) P-C4' energy: -80.593 flat angles C4'-P-C4' energy: -94.724 flat angles P-C4'-P energy: -64.296 tors. eta vs tors. theta energy: -113.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1258.307573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.307573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.307573 (E_RNA) where: Base-Base interactions energy: -850.578 where: short stacking energy: -403.389 Base-Backbone interact. energy: -2.875 local terms energy: -404.854625 where: bonds (distance) C4'-P energy: -72.383 bonds (distance) P-C4' energy: -89.053 flat angles C4'-P-C4' energy: -98.923 flat angles P-C4'-P energy: -46.147 tors. eta vs tors. theta energy: -98.349 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: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1926.862875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.862875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.862875 (E_RNA) where: Base-Base interactions energy: -1373.790 where: short stacking energy: -622.850 Base-Backbone interact. energy: -1.485 local terms energy: -551.588019 where: bonds (distance) C4'-P energy: -96.456 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -116.957 flat angles P-C4'-P energy: -85.505 tors. eta vs tors. theta energy: -162.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1874.763194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.763194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.763194 (E_RNA) where: Base-Base interactions energy: -1356.672 where: short stacking energy: -620.079 Base-Backbone interact. energy: -3.909 local terms energy: -514.182242 where: bonds (distance) C4'-P energy: -99.759 bonds (distance) P-C4' energy: -74.546 flat angles C4'-P-C4' energy: -108.247 flat angles P-C4'-P energy: -68.708 tors. eta vs tors. theta energy: -162.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1797.567877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.567877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.567877 (E_RNA) where: Base-Base interactions energy: -1294.527 where: short stacking energy: -599.855 Base-Backbone interact. energy: -3.933 local terms energy: -499.107779 where: bonds (distance) C4'-P energy: -71.178 bonds (distance) P-C4' energy: -87.824 flat angles C4'-P-C4' energy: -105.748 flat angles P-C4'-P energy: -69.663 tors. eta vs tors. theta energy: -164.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1770.892130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.892130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.892130 (E_RNA) where: Base-Base interactions energy: -1274.425 where: short stacking energy: -562.531 Base-Backbone interact. energy: -1.293 local terms energy: -495.173751 where: bonds (distance) C4'-P energy: -88.061 bonds (distance) P-C4' energy: -91.995 flat angles C4'-P-C4' energy: -107.360 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -144.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1679.639224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.639224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.639224 (E_RNA) where: Base-Base interactions energy: -1169.445 where: short stacking energy: -568.560 Base-Backbone interact. energy: -0.590 local terms energy: -509.604167 where: bonds (distance) C4'-P energy: -97.718 bonds (distance) P-C4' energy: -79.385 flat angles C4'-P-C4' energy: -104.936 flat angles P-C4'-P energy: -72.318 tors. eta vs tors. theta energy: -155.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1674.893575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.893575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.893575 (E_RNA) where: Base-Base interactions energy: -1194.289 where: short stacking energy: -554.666 Base-Backbone interact. energy: -3.087 local terms energy: -477.517748 where: bonds (distance) C4'-P energy: -74.641 bonds (distance) P-C4' energy: -83.550 flat angles C4'-P-C4' energy: -102.502 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: -142.548 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: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1595.073544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.073544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.073544 (E_RNA) where: Base-Base interactions energy: -1131.466 where: short stacking energy: -522.382 Base-Backbone interact. energy: -0.287 local terms energy: -463.319702 where: bonds (distance) C4'-P energy: -75.548 bonds (distance) P-C4' energy: -91.052 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -138.938 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: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1504.169457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.169457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.169457 (E_RNA) where: Base-Base interactions energy: -1068.236 where: short stacking energy: -493.634 Base-Backbone interact. energy: -1.259 local terms energy: -434.674776 where: bonds (distance) C4'-P energy: -66.261 bonds (distance) P-C4' energy: -83.641 flat angles C4'-P-C4' energy: -97.712 flat angles P-C4'-P energy: -58.504 tors. eta vs tors. theta energy: -128.557 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: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1351.615054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.615054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.615054 (E_RNA) where: Base-Base interactions energy: -935.451 where: short stacking energy: -436.516 Base-Backbone interact. energy: -2.339 local terms energy: -413.824704 where: bonds (distance) C4'-P energy: -70.517 bonds (distance) P-C4' energy: -65.094 flat angles C4'-P-C4' energy: -101.132 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -117.459 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: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1228.766632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.766632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.766632 (E_RNA) where: Base-Base interactions energy: -875.136 where: short stacking energy: -403.067 Base-Backbone interact. energy: 0.132 local terms energy: -353.762961 where: bonds (distance) C4'-P energy: -72.819 bonds (distance) P-C4' energy: -64.517 flat angles C4'-P-C4' energy: -87.346 flat angles P-C4'-P energy: -38.349 tors. eta vs tors. theta energy: -90.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1925.633085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.633085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.633085 (E_RNA) where: Base-Base interactions energy: -1390.014 where: short stacking energy: -661.116 Base-Backbone interact. energy: -0.986 local terms energy: -534.632537 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -97.616 flat angles C4'-P-C4' energy: -113.845 flat angles P-C4'-P energy: -66.780 tors. eta vs tors. theta energy: -166.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1876.747088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.747088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.747088 (E_RNA) where: Base-Base interactions energy: -1349.387 where: short stacking energy: -612.309 Base-Backbone interact. energy: -2.416 local terms energy: -524.944680 where: bonds (distance) C4'-P energy: -78.735 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -110.823 flat angles P-C4'-P energy: -78.708 tors. eta vs tors. theta energy: -160.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1798.627753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.627753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.627753 (E_RNA) where: Base-Base interactions energy: -1309.302 where: short stacking energy: -588.488 Base-Backbone interact. energy: -2.824 local terms energy: -486.501662 where: bonds (distance) C4'-P energy: -86.053 bonds (distance) P-C4' energy: -83.710 flat angles C4'-P-C4' energy: -107.556 flat angles P-C4'-P energy: -55.383 tors. eta vs tors. theta energy: -153.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1746.471136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.471136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.471136 (E_RNA) where: Base-Base interactions energy: -1259.950 where: short stacking energy: -550.774 Base-Backbone interact. energy: -0.443 local terms energy: -486.077690 where: bonds (distance) C4'-P energy: -83.819 bonds (distance) P-C4' energy: -83.056 flat angles C4'-P-C4' energy: -102.906 flat angles P-C4'-P energy: -61.673 tors. eta vs tors. theta energy: -154.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1661.335488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.335488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.335488 (E_RNA) where: Base-Base interactions energy: -1176.350 where: short stacking energy: -552.887 Base-Backbone interact. energy: -1.308 local terms energy: -483.677020 where: bonds (distance) C4'-P energy: -90.529 bonds (distance) P-C4' energy: -80.999 flat angles C4'-P-C4' energy: -101.505 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -138.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1644.388904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.388904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.388904 (E_RNA) where: Base-Base interactions energy: -1168.883 where: short stacking energy: -555.319 Base-Backbone interact. energy: -3.371 local terms energy: -472.134524 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -81.041 flat angles C4'-P-C4' energy: -99.934 flat angles P-C4'-P energy: -68.741 tors. eta vs tors. theta energy: -144.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1518.515145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.515145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.515145 (E_RNA) where: Base-Base interactions energy: -1094.598 where: short stacking energy: -490.992 Base-Backbone interact. energy: 4.643 local terms energy: -428.559462 where: bonds (distance) C4'-P energy: -80.992 bonds (distance) P-C4' energy: -76.913 flat angles C4'-P-C4' energy: -87.450 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -133.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1484.834070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.834070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.834070 (E_RNA) where: Base-Base interactions energy: -1041.752 where: short stacking energy: -479.504 Base-Backbone interact. energy: -0.808 local terms energy: -442.274123 where: bonds (distance) C4'-P energy: -84.923 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -98.829 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -129.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1378.674912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.674912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.674912 (E_RNA) where: Base-Base interactions energy: -963.434 where: short stacking energy: -459.955 Base-Backbone interact. energy: -0.010 local terms energy: -415.230879 where: bonds (distance) C4'-P energy: -83.400 bonds (distance) P-C4' energy: -62.484 flat angles C4'-P-C4' energy: -92.854 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: -119.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1164.402623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.402623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.402623 (E_RNA) where: Base-Base interactions energy: -803.662 where: short stacking energy: -388.057 Base-Backbone interact. energy: 10.713 local terms energy: -371.454482 where: bonds (distance) C4'-P energy: -86.803 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -85.695 flat angles P-C4'-P energy: -37.062 tors. eta vs tors. theta energy: -94.975 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: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1932.965916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.965916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.965916 (E_RNA) where: Base-Base interactions energy: -1385.117 where: short stacking energy: -645.223 Base-Backbone interact. energy: -2.267 local terms energy: -545.582104 where: bonds (distance) C4'-P energy: -95.542 bonds (distance) P-C4' energy: -86.080 flat angles C4'-P-C4' energy: -119.409 flat angles P-C4'-P energy: -73.944 tors. eta vs tors. theta energy: -170.607 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: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1887.694416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.694416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.694416 (E_RNA) where: Base-Base interactions energy: -1348.552 where: short stacking energy: -603.768 Base-Backbone interact. energy: -2.515 local terms energy: -536.628208 where: bonds (distance) C4'-P energy: -95.142 bonds (distance) P-C4' energy: -93.282 flat angles C4'-P-C4' energy: -108.621 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -160.960 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: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1804.112948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.112948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.112948 (E_RNA) where: Base-Base interactions energy: -1287.140 where: short stacking energy: -585.703 Base-Backbone interact. energy: -2.882 local terms energy: -514.090349 where: bonds (distance) C4'-P energy: -87.240 bonds (distance) P-C4' energy: -89.821 flat angles C4'-P-C4' energy: -106.420 flat angles P-C4'-P energy: -71.615 tors. eta vs tors. theta energy: -158.994 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: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1762.090348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.090348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.090348 (E_RNA) where: Base-Base interactions energy: -1272.300 where: short stacking energy: -574.765 Base-Backbone interact. energy: -3.106 local terms energy: -486.684651 where: bonds (distance) C4'-P energy: -89.529 bonds (distance) P-C4' energy: -77.957 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -64.130 tors. eta vs tors. theta energy: -149.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1656.365372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.365372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.365372 (E_RNA) where: Base-Base interactions energy: -1178.629 where: short stacking energy: -533.972 Base-Backbone interact. energy: -1.496 local terms energy: -476.241099 where: bonds (distance) C4'-P energy: -85.350 bonds (distance) P-C4' energy: -79.037 flat angles C4'-P-C4' energy: -100.613 flat angles P-C4'-P energy: -68.849 tors. eta vs tors. theta energy: -142.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1648.596144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.596144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.596144 (E_RNA) where: Base-Base interactions energy: -1166.425 where: short stacking energy: -556.658 Base-Backbone interact. energy: -0.921 local terms energy: -481.249844 where: bonds (distance) C4'-P energy: -81.799 bonds (distance) P-C4' energy: -76.561 flat angles C4'-P-C4' energy: -110.049 flat angles P-C4'-P energy: -64.395 tors. eta vs tors. theta energy: -148.446 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: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1586.601946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.601946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.601946 (E_RNA) where: Base-Base interactions energy: -1151.579 where: short stacking energy: -517.312 Base-Backbone interact. energy: 0.004 local terms energy: -435.026959 where: bonds (distance) C4'-P energy: -75.442 bonds (distance) P-C4' energy: -79.810 flat angles C4'-P-C4' energy: -97.067 flat angles P-C4'-P energy: -50.187 tors. eta vs tors. theta energy: -132.521 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: 216 Temperature: 1.250000 Total energy: -1472.682488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.682488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.682488 (E_RNA) where: Base-Base interactions energy: -1046.161 where: short stacking energy: -481.641 Base-Backbone interact. energy: 1.882 local terms energy: -428.403478 where: bonds (distance) C4'-P energy: -73.697 bonds (distance) P-C4' energy: -72.446 flat angles C4'-P-C4' energy: -102.724 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -126.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1368.346288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.346288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.346288 (E_RNA) where: Base-Base interactions energy: -963.064 where: short stacking energy: -438.976 Base-Backbone interact. energy: -1.947 local terms energy: -403.334585 where: bonds (distance) C4'-P energy: -79.149 bonds (distance) P-C4' energy: -74.625 flat angles C4'-P-C4' energy: -77.577 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: -111.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1232.854411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.854411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.854411 (E_RNA) where: Base-Base interactions energy: -878.516 where: short stacking energy: -431.959 Base-Backbone interact. energy: 2.828 local terms energy: -357.166098 where: bonds (distance) C4'-P energy: -67.807 bonds (distance) P-C4' energy: -59.538 flat angles C4'-P-C4' energy: -88.710 flat angles P-C4'-P energy: -37.596 tors. eta vs tors. theta energy: -103.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1932.161566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.161566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.161566 (E_RNA) where: Base-Base interactions energy: -1388.221 where: short stacking energy: -627.978 Base-Backbone interact. energy: -2.234 local terms energy: -541.706508 where: bonds (distance) C4'-P energy: -90.872 bonds (distance) P-C4' energy: -95.600 flat angles C4'-P-C4' energy: -116.126 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -167.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1898.006363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.006363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.006363 (E_RNA) where: Base-Base interactions energy: -1356.940 where: short stacking energy: -621.069 Base-Backbone interact. energy: -1.335 local terms energy: -539.731299 where: bonds (distance) C4'-P energy: -85.258 bonds (distance) P-C4' energy: -98.953 flat angles C4'-P-C4' energy: -108.528 flat angles P-C4'-P energy: -78.146 tors. eta vs tors. theta energy: -168.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1794.446504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.446504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.446504 (E_RNA) where: Base-Base interactions energy: -1284.874 where: short stacking energy: -577.033 Base-Backbone interact. energy: -2.412 local terms energy: -507.160279 where: bonds (distance) C4'-P energy: -84.073 bonds (distance) P-C4' energy: -95.429 flat angles C4'-P-C4' energy: -98.641 flat angles P-C4'-P energy: -68.022 tors. eta vs tors. theta energy: -160.995 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1789.851238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.851238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.851238 (E_RNA) where: Base-Base interactions energy: -1285.068 where: short stacking energy: -601.495 Base-Backbone interact. energy: -0.470 local terms energy: -504.312690 where: bonds (distance) C4'-P energy: -91.551 bonds (distance) P-C4' energy: -82.507 flat angles C4'-P-C4' energy: -112.305 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -148.968 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: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1688.028761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.028761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.028761 (E_RNA) where: Base-Base interactions energy: -1195.098 where: short stacking energy: -546.158 Base-Backbone interact. energy: -1.718 local terms energy: -491.212661 where: bonds (distance) C4'-P energy: -94.758 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -104.728 flat angles P-C4'-P energy: -58.865 tors. eta vs tors. theta energy: -143.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1669.831244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.831244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.831244 (E_RNA) where: Base-Base interactions energy: -1207.143 where: short stacking energy: -549.948 Base-Backbone interact. energy: -2.430 local terms energy: -460.257495 where: bonds (distance) C4'-P energy: -79.718 bonds (distance) P-C4' energy: -78.724 flat angles C4'-P-C4' energy: -107.189 flat angles P-C4'-P energy: -59.990 tors. eta vs tors. theta energy: -134.636 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: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1545.394829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.394829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.394829 (E_RNA) where: Base-Base interactions energy: -1097.490 where: short stacking energy: -497.899 Base-Backbone interact. energy: -1.398 local terms energy: -446.506798 where: bonds (distance) C4'-P energy: -81.518 bonds (distance) P-C4' energy: -78.776 flat angles C4'-P-C4' energy: -94.372 flat angles P-C4'-P energy: -64.091 tors. eta vs tors. theta energy: -127.750 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: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1489.821277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.821277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.821277 (E_RNA) where: Base-Base interactions energy: -1049.213 where: short stacking energy: -508.973 Base-Backbone interact. energy: -0.845 local terms energy: -439.763080 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -92.054 flat angles C4'-P-C4' energy: -96.840 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -137.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1402.656154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.656154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.656154 (E_RNA) where: Base-Base interactions energy: -991.142 where: short stacking energy: -474.316 Base-Backbone interact. energy: -2.061 local terms energy: -409.453223 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -89.882 flat angles P-C4'-P energy: -46.912 tors. eta vs tors. theta energy: -127.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1264.292564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.292564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.292564 (E_RNA) where: Base-Base interactions energy: -873.015 where: short stacking energy: -412.661 Base-Backbone interact. energy: 0.461 local terms energy: -391.738988 where: bonds (distance) C4'-P energy: -73.171 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -84.583 flat angles P-C4'-P energy: -53.699 tors. eta vs tors. theta energy: -105.409 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: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1917.155770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.155770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.155770 (E_RNA) where: Base-Base interactions energy: -1377.550 where: short stacking energy: -624.566 Base-Backbone interact. energy: -1.009 local terms energy: -538.597320 where: bonds (distance) C4'-P energy: -93.997 bonds (distance) P-C4' energy: -95.538 flat angles C4'-P-C4' energy: -108.511 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -165.127 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: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1870.584288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.584288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.584288 (E_RNA) where: Base-Base interactions energy: -1342.078 where: short stacking energy: -620.183 Base-Backbone interact. energy: 1.035 local terms energy: -529.541222 where: bonds (distance) C4'-P energy: -94.990 bonds (distance) P-C4' energy: -94.667 flat angles C4'-P-C4' energy: -105.947 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -159.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1811.793344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.793344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.793344 (E_RNA) where: Base-Base interactions energy: -1293.225 where: short stacking energy: -592.865 Base-Backbone interact. energy: -1.448 local terms energy: -517.120018 where: bonds (distance) C4'-P energy: -100.642 bonds (distance) P-C4' energy: -84.483 flat angles C4'-P-C4' energy: -106.278 flat angles P-C4'-P energy: -67.689 tors. eta vs tors. theta energy: -158.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1782.506709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.506709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.506709 (E_RNA) where: Base-Base interactions energy: -1285.663 where: short stacking energy: -575.709 Base-Backbone interact. energy: -3.297 local terms energy: -493.546439 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -84.062 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -74.495 tors. eta vs tors. theta energy: -151.681 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: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1668.770099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.770099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.770099 (E_RNA) where: Base-Base interactions energy: -1190.974 where: short stacking energy: -557.693 Base-Backbone interact. energy: -1.784 local terms energy: -476.011775 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -88.330 flat angles C4'-P-C4' energy: -99.959 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -147.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1668.890197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.890197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.890197 (E_RNA) where: Base-Base interactions energy: -1186.972 where: short stacking energy: -530.481 Base-Backbone interact. energy: -0.272 local terms energy: -481.646277 where: bonds (distance) C4'-P energy: -86.944 bonds (distance) P-C4' energy: -87.362 flat angles C4'-P-C4' energy: -107.410 flat angles P-C4'-P energy: -59.069 tors. eta vs tors. theta energy: -140.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1529.352873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.352873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.352873 (E_RNA) where: Base-Base interactions energy: -1093.036 where: short stacking energy: -488.597 Base-Backbone interact. energy: -0.464 local terms energy: -435.853089 where: bonds (distance) C4'-P energy: -80.606 bonds (distance) P-C4' energy: -80.383 flat angles C4'-P-C4' energy: -93.892 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -132.587 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: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1415.156294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.156294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.156294 (E_RNA) where: Base-Base interactions energy: -996.608 where: short stacking energy: -452.694 Base-Backbone interact. energy: -0.330 local terms energy: -418.218066 where: bonds (distance) C4'-P energy: -89.857 bonds (distance) P-C4' energy: -89.244 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -102.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1472.073413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.073413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.073413 (E_RNA) where: Base-Base interactions energy: -1057.729 where: short stacking energy: -474.733 Base-Backbone interact. energy: 0.169 local terms energy: -414.512554 where: bonds (distance) C4'-P energy: -71.061 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -89.883 flat angles P-C4'-P energy: -62.569 tors. eta vs tors. theta energy: -115.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1245.366603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.366603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.366603 (E_RNA) where: Base-Base interactions energy: -854.150 where: short stacking energy: -411.305 Base-Backbone interact. energy: -1.832 local terms energy: -389.384576 where: bonds (distance) C4'-P energy: -72.175 bonds (distance) P-C4' energy: -73.456 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -48.931 tors. eta vs tors. theta energy: -111.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1927.528292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.528292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.528292 (E_RNA) where: Base-Base interactions energy: -1389.283 where: short stacking energy: -640.410 Base-Backbone interact. energy: -2.776 local terms energy: -535.469428 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -109.476 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -169.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1882.038277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.038277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.038277 (E_RNA) where: Base-Base interactions energy: -1346.548 where: short stacking energy: -605.248 Base-Backbone interact. energy: 2.082 local terms energy: -537.571856 where: bonds (distance) C4'-P energy: -93.639 bonds (distance) P-C4' energy: -83.962 flat angles C4'-P-C4' energy: -115.428 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -164.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1821.067342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.067342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.067342 (E_RNA) where: Base-Base interactions energy: -1319.743 where: short stacking energy: -592.723 Base-Backbone interact. energy: -3.345 local terms energy: -497.980136 where: bonds (distance) C4'-P energy: -89.434 bonds (distance) P-C4' energy: -78.058 flat angles C4'-P-C4' energy: -108.166 flat angles P-C4'-P energy: -64.594 tors. eta vs tors. theta energy: -157.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1793.057854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.057854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.057854 (E_RNA) where: Base-Base interactions energy: -1285.872 where: short stacking energy: -564.082 Base-Backbone interact. energy: -2.139 local terms energy: -505.046930 where: bonds (distance) C4'-P energy: -98.252 bonds (distance) P-C4' energy: -81.388 flat angles C4'-P-C4' energy: -112.034 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -150.668 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: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1677.190504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.190504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.190504 (E_RNA) where: Base-Base interactions energy: -1180.029 where: short stacking energy: -548.856 Base-Backbone interact. energy: -2.380 local terms energy: -494.781689 where: bonds (distance) C4'-P energy: -78.662 bonds (distance) P-C4' energy: -88.338 flat angles C4'-P-C4' energy: -109.808 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -146.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1648.396466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.396466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.396466 (E_RNA) where: Base-Base interactions energy: -1190.774 where: short stacking energy: -523.165 Base-Backbone interact. energy: 0.056 local terms energy: -457.677927 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -80.252 flat angles C4'-P-C4' energy: -111.052 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -139.280 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: 219 Temperature: 1.200000 Total energy: -1491.841618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.841618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.841618 (E_RNA) where: Base-Base interactions energy: -1030.540 where: short stacking energy: -485.470 Base-Backbone interact. energy: -1.053 local terms energy: -460.248268 where: bonds (distance) C4'-P energy: -82.559 bonds (distance) P-C4' energy: -85.480 flat angles C4'-P-C4' energy: -98.332 flat angles P-C4'-P energy: -67.069 tors. eta vs tors. theta energy: -126.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1526.236719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.236719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.236719 (E_RNA) where: Base-Base interactions energy: -1103.777 where: short stacking energy: -512.861 Base-Backbone interact. energy: 2.283 local terms energy: -424.742755 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -93.673 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: -126.429 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: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1415.926914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.926914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.926914 (E_RNA) where: Base-Base interactions energy: -966.458 where: short stacking energy: -465.539 Base-Backbone interact. energy: -1.380 local terms energy: -448.088420 where: bonds (distance) C4'-P energy: -90.808 bonds (distance) P-C4' energy: -81.645 flat angles C4'-P-C4' energy: -92.186 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: -129.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1278.983095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.983095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.983095 (E_RNA) where: Base-Base interactions energy: -894.812 where: short stacking energy: -414.611 Base-Backbone interact. energy: 2.466 local terms energy: -386.636461 where: bonds (distance) C4'-P energy: -94.189 bonds (distance) P-C4' energy: -57.033 flat angles C4'-P-C4' energy: -91.411 flat angles P-C4'-P energy: -45.192 tors. eta vs tors. theta energy: -98.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1925.243963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.243963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.243963 (E_RNA) where: Base-Base interactions energy: -1386.977 where: short stacking energy: -621.513 Base-Backbone interact. energy: -3.368 local terms energy: -534.898932 where: bonds (distance) C4'-P energy: -95.514 bonds (distance) P-C4' energy: -88.458 flat angles C4'-P-C4' energy: -117.805 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -163.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1884.574915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.574915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.574915 (E_RNA) where: Base-Base interactions energy: -1356.298 where: short stacking energy: -622.200 Base-Backbone interact. energy: -0.228 local terms energy: -528.049105 where: bonds (distance) C4'-P energy: -84.204 bonds (distance) P-C4' energy: -96.457 flat angles C4'-P-C4' energy: -102.586 flat angles P-C4'-P energy: -79.236 tors. eta vs tors. theta energy: -165.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1842.494451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.494451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.494451 (E_RNA) where: Base-Base interactions energy: -1297.860 where: short stacking energy: -577.877 Base-Backbone interact. energy: -1.660 local terms energy: -542.974543 where: bonds (distance) C4'-P energy: -98.824 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -108.483 flat angles P-C4'-P energy: -71.022 tors. eta vs tors. theta energy: -159.594 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: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1787.509289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.509289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.509289 (E_RNA) where: Base-Base interactions energy: -1296.467 where: short stacking energy: -581.482 Base-Backbone interact. energy: 0.119 local terms energy: -491.161714 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -112.922 flat angles P-C4'-P energy: -56.798 tors. eta vs tors. theta energy: -150.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1699.922643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.922643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.922643 (E_RNA) where: Base-Base interactions energy: -1232.508 where: short stacking energy: -555.632 Base-Backbone interact. energy: -1.242 local terms energy: -466.172169 where: bonds (distance) C4'-P energy: -80.680 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -103.872 flat angles P-C4'-P energy: -70.703 tors. eta vs tors. theta energy: -149.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1639.473059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.473059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.473059 (E_RNA) where: Base-Base interactions energy: -1167.323 where: short stacking energy: -555.322 Base-Backbone interact. energy: 1.167 local terms energy: -473.316428 where: bonds (distance) C4'-P energy: -77.090 bonds (distance) P-C4' energy: -93.524 flat angles C4'-P-C4' energy: -97.115 flat angles P-C4'-P energy: -55.458 tors. eta vs tors. theta energy: -150.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1552.602836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.602836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.602836 (E_RNA) where: Base-Base interactions energy: -1088.898 where: short stacking energy: -498.994 Base-Backbone interact. energy: -1.539 local terms energy: -462.165525 where: bonds (distance) C4'-P energy: -79.889 bonds (distance) P-C4' energy: -93.649 flat angles C4'-P-C4' energy: -100.920 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -136.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1463.039293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.039293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.039293 (E_RNA) where: Base-Base interactions energy: -1050.345 where: short stacking energy: -448.820 Base-Backbone interact. energy: -0.220 local terms energy: -412.473824 where: bonds (distance) C4'-P energy: -79.096 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -78.680 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -128.745 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: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1438.975097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.975097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.975097 (E_RNA) where: Base-Base interactions energy: -1014.701 where: short stacking energy: -468.432 Base-Backbone interact. energy: 2.111 local terms energy: -426.385212 where: bonds (distance) C4'-P energy: -70.050 bonds (distance) P-C4' energy: -80.756 flat angles C4'-P-C4' energy: -89.197 flat angles P-C4'-P energy: -57.646 tors. eta vs tors. theta energy: -128.736 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: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1320.010277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.010277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.010277 (E_RNA) where: Base-Base interactions energy: -909.207 where: short stacking energy: -402.014 Base-Backbone interact. energy: -0.777 local terms energy: -410.026385 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -82.767 flat angles C4'-P-C4' energy: -90.270 flat angles P-C4'-P energy: -55.092 tors. eta vs tors. theta energy: -102.837 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: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1935.437139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.437139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.437139 (E_RNA) where: Base-Base interactions energy: -1392.035 where: short stacking energy: -635.048 Base-Backbone interact. energy: 1.670 local terms energy: -545.071671 where: bonds (distance) C4'-P energy: -83.320 bonds (distance) P-C4' energy: -99.798 flat angles C4'-P-C4' energy: -120.767 flat angles P-C4'-P energy: -75.203 tors. eta vs tors. theta energy: -165.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1883.832941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.832941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.832941 (E_RNA) where: Base-Base interactions energy: -1362.066 where: short stacking energy: -619.226 Base-Backbone interact. energy: -1.898 local terms energy: -519.869220 where: bonds (distance) C4'-P energy: -91.298 bonds (distance) P-C4' energy: -79.061 flat angles C4'-P-C4' energy: -113.187 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: -161.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1834.374535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.374535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.374535 (E_RNA) where: Base-Base interactions energy: -1325.028 where: short stacking energy: -588.874 Base-Backbone interact. energy: -1.506 local terms energy: -507.839609 where: bonds (distance) C4'-P energy: -84.678 bonds (distance) P-C4' energy: -83.077 flat angles C4'-P-C4' energy: -109.006 flat angles P-C4'-P energy: -73.257 tors. eta vs tors. theta energy: -157.822 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: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1757.380792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.380792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.380792 (E_RNA) where: Base-Base interactions energy: -1256.324 where: short stacking energy: -547.357 Base-Backbone interact. energy: -0.873 local terms energy: -500.184398 where: bonds (distance) C4'-P energy: -96.997 bonds (distance) P-C4' energy: -88.073 flat angles C4'-P-C4' energy: -103.270 flat angles P-C4'-P energy: -58.925 tors. eta vs tors. theta energy: -152.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1671.573083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.573083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.573083 (E_RNA) where: Base-Base interactions energy: -1209.212 where: short stacking energy: -544.059 Base-Backbone interact. energy: -1.119 local terms energy: -461.241385 where: bonds (distance) C4'-P energy: -80.972 bonds (distance) P-C4' energy: -84.233 flat angles C4'-P-C4' energy: -101.658 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -136.405 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: 221 Temperature: 1.150000 Total energy: -1617.139052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.139052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.139052 (E_RNA) where: Base-Base interactions energy: -1165.859 where: short stacking energy: -543.170 Base-Backbone interact. energy: -2.735 local terms energy: -448.545233 where: bonds (distance) C4'-P energy: -68.350 bonds (distance) P-C4' energy: -85.732 flat angles C4'-P-C4' energy: -98.090 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: -139.148 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: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1611.625081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.625081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.625081 (E_RNA) where: Base-Base interactions energy: -1140.905 where: short stacking energy: -537.851 Base-Backbone interact. energy: -1.433 local terms energy: -469.286546 where: bonds (distance) C4'-P energy: -78.275 bonds (distance) P-C4' energy: -95.631 flat angles C4'-P-C4' energy: -98.356 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -138.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1444.984465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.984465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.984465 (E_RNA) where: Base-Base interactions energy: -1001.525 where: short stacking energy: -445.882 Base-Backbone interact. energy: -3.659 local terms energy: -439.800724 where: bonds (distance) C4'-P energy: -78.870 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -98.100 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: -123.817 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: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1380.849745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.849745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.849745 (E_RNA) where: Base-Base interactions energy: -981.174 where: short stacking energy: -454.824 Base-Backbone interact. energy: -2.693 local terms energy: -396.982359 where: bonds (distance) C4'-P energy: -74.072 bonds (distance) P-C4' energy: -53.108 flat angles C4'-P-C4' energy: -90.247 flat angles P-C4'-P energy: -55.821 tors. eta vs tors. theta energy: -123.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1314.569565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.569565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.569565 (E_RNA) where: Base-Base interactions energy: -917.982 where: short stacking energy: -444.721 Base-Backbone interact. energy: -1.151 local terms energy: -395.435855 where: bonds (distance) C4'-P energy: -60.920 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -94.368 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -112.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1940.660044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.660044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.660044 (E_RNA) where: Base-Base interactions energy: -1394.595 where: short stacking energy: -618.777 Base-Backbone interact. energy: -4.808 local terms energy: -541.257431 where: bonds (distance) C4'-P energy: -92.062 bonds (distance) P-C4' energy: -103.328 flat angles C4'-P-C4' energy: -107.553 flat angles P-C4'-P energy: -79.849 tors. eta vs tors. theta energy: -158.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1900.658624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.658624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.658624 (E_RNA) where: Base-Base interactions energy: -1363.766 where: short stacking energy: -632.581 Base-Backbone interact. energy: -0.940 local terms energy: -535.952989 where: bonds (distance) C4'-P energy: -94.544 bonds (distance) P-C4' energy: -94.743 flat angles C4'-P-C4' energy: -111.400 flat angles P-C4'-P energy: -74.309 tors. eta vs tors. theta energy: -160.957 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: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1832.846938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.846938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.846938 (E_RNA) where: Base-Base interactions energy: -1314.338 where: short stacking energy: -588.674 Base-Backbone interact. energy: -3.092 local terms energy: -515.417477 where: bonds (distance) C4'-P energy: -84.386 bonds (distance) P-C4' energy: -90.696 flat angles C4'-P-C4' energy: -109.371 flat angles P-C4'-P energy: -75.845 tors. eta vs tors. theta energy: -155.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1794.369707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.369707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.369707 (E_RNA) where: Base-Base interactions energy: -1278.762 where: short stacking energy: -582.842 Base-Backbone interact. energy: -3.801 local terms energy: -511.806798 where: bonds (distance) C4'-P energy: -78.669 bonds (distance) P-C4' energy: -93.906 flat angles C4'-P-C4' energy: -110.476 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -155.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1662.347954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.347954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.347954 (E_RNA) where: Base-Base interactions energy: -1172.676 where: short stacking energy: -536.257 Base-Backbone interact. energy: -1.238 local terms energy: -488.434290 where: bonds (distance) C4'-P energy: -93.923 bonds (distance) P-C4' energy: -84.321 flat angles C4'-P-C4' energy: -98.663 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -142.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1654.366157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.366157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.366157 (E_RNA) where: Base-Base interactions energy: -1167.552 where: short stacking energy: -528.105 Base-Backbone interact. energy: -1.028 local terms energy: -485.786286 where: bonds (distance) C4'-P energy: -79.748 bonds (distance) P-C4' energy: -92.232 flat angles C4'-P-C4' energy: -101.760 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -140.016 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: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1602.320028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.320028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.320028 (E_RNA) where: Base-Base interactions energy: -1133.962 where: short stacking energy: -531.939 Base-Backbone interact. energy: -3.738 local terms energy: -464.620018 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -72.691 flat angles C4'-P-C4' energy: -100.679 flat angles P-C4'-P energy: -70.804 tors. eta vs tors. theta energy: -142.735 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: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1463.449974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.449974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.449974 (E_RNA) where: Base-Base interactions energy: -1058.388 where: short stacking energy: -487.387 Base-Backbone interact. energy: -0.744 local terms energy: -404.318136 where: bonds (distance) C4'-P energy: -64.265 bonds (distance) P-C4' energy: -82.205 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -122.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1402.441185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.441185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.441185 (E_RNA) where: Base-Base interactions energy: -993.260 where: short stacking energy: -437.332 Base-Backbone interact. energy: -1.016 local terms energy: -408.165274 where: bonds (distance) C4'-P energy: -75.138 bonds (distance) P-C4' energy: -68.593 flat angles C4'-P-C4' energy: -80.817 flat angles P-C4'-P energy: -63.462 tors. eta vs tors. theta energy: -120.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1268.510284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.510284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.510284 (E_RNA) where: Base-Base interactions energy: -899.678 where: short stacking energy: -425.566 Base-Backbone interact. energy: -1.399 local terms energy: -367.432348 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -78.724 flat angles C4'-P-C4' energy: -91.706 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -103.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1956.548500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.548500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.548500 (E_RNA) where: Base-Base interactions energy: -1391.907 where: short stacking energy: -622.592 Base-Backbone interact. energy: -2.347 local terms energy: -562.294039 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -100.757 flat angles C4'-P-C4' energy: -108.554 flat angles P-C4'-P energy: -86.788 tors. eta vs tors. theta energy: -161.853 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: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1908.683558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.683558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.683558 (E_RNA) where: Base-Base interactions energy: -1373.058 where: short stacking energy: -632.271 Base-Backbone interact. energy: -1.532 local terms energy: -534.093449 where: bonds (distance) C4'-P energy: -84.152 bonds (distance) P-C4' energy: -94.147 flat angles C4'-P-C4' energy: -112.154 flat angles P-C4'-P energy: -75.896 tors. eta vs tors. theta energy: -167.744 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: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1834.470585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.470585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.470585 (E_RNA) where: Base-Base interactions energy: -1305.064 where: short stacking energy: -589.448 Base-Backbone interact. energy: 3.790 local terms energy: -533.197151 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -101.673 flat angles C4'-P-C4' energy: -109.659 flat angles P-C4'-P energy: -79.149 tors. eta vs tors. theta energy: -157.285 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: 223 Temperature: 1.050000 Total energy: -1797.731788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.731788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.731788 (E_RNA) where: Base-Base interactions energy: -1285.565 where: short stacking energy: -576.874 Base-Backbone interact. energy: -2.214 local terms energy: -509.952722 where: bonds (distance) C4'-P energy: -89.052 bonds (distance) P-C4' energy: -93.531 flat angles C4'-P-C4' energy: -101.256 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -155.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1658.592916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.592916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.592916 (E_RNA) where: Base-Base interactions energy: -1168.528 where: short stacking energy: -547.331 Base-Backbone interact. energy: 0.109 local terms energy: -490.174015 where: bonds (distance) C4'-P energy: -84.167 bonds (distance) P-C4' energy: -84.482 flat angles C4'-P-C4' energy: -100.632 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -149.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1610.774436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.774436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.774436 (E_RNA) where: Base-Base interactions energy: -1131.798 where: short stacking energy: -513.744 Base-Backbone interact. energy: -2.473 local terms energy: -476.502659 where: bonds (distance) C4'-P energy: -78.639 bonds (distance) P-C4' energy: -87.033 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -66.921 tors. eta vs tors. theta energy: -141.881 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: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1623.433121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.433121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.433121 (E_RNA) where: Base-Base interactions energy: -1156.012 where: short stacking energy: -532.828 Base-Backbone interact. energy: -1.384 local terms energy: -466.037562 where: bonds (distance) C4'-P energy: -77.377 bonds (distance) P-C4' energy: -90.759 flat angles C4'-P-C4' energy: -103.348 flat angles P-C4'-P energy: -64.526 tors. eta vs tors. theta energy: -130.028 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: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1483.186661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.186661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.186661 (E_RNA) where: Base-Base interactions energy: -1043.908 where: short stacking energy: -478.496 Base-Backbone interact. energy: -1.356 local terms energy: -437.922302 where: bonds (distance) C4'-P energy: -86.161 bonds (distance) P-C4' energy: -78.217 flat angles C4'-P-C4' energy: -107.728 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -115.536 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: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1353.977658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.977658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.977658 (E_RNA) where: Base-Base interactions energy: -972.410 where: short stacking energy: -443.490 Base-Backbone interact. energy: -0.711 local terms energy: -380.856853 where: bonds (distance) C4'-P energy: -46.324 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -94.150 flat angles P-C4'-P energy: -51.434 tors. eta vs tors. theta energy: -104.205 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: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1238.957885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.957885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.957885 (E_RNA) where: Base-Base interactions energy: -857.230 where: short stacking energy: -398.229 Base-Backbone interact. energy: -1.353 local terms energy: -380.374831 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -73.916 flat angles C4'-P-C4' energy: -92.531 flat angles P-C4'-P energy: -48.959 tors. eta vs tors. theta energy: -97.526 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: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1936.104597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.104597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.104597 (E_RNA) where: Base-Base interactions energy: -1396.005 where: short stacking energy: -654.969 Base-Backbone interact. energy: -3.005 local terms energy: -537.095169 where: bonds (distance) C4'-P energy: -86.236 bonds (distance) P-C4' energy: -97.237 flat angles C4'-P-C4' energy: -115.090 flat angles P-C4'-P energy: -76.003 tors. eta vs tors. theta energy: -162.530 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1900.111433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.111433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.111433 (E_RNA) where: Base-Base interactions energy: -1375.972 where: short stacking energy: -599.252 Base-Backbone interact. energy: -2.700 local terms energy: -521.438672 where: bonds (distance) C4'-P energy: -85.923 bonds (distance) P-C4' energy: -87.303 flat angles C4'-P-C4' energy: -113.811 flat angles P-C4'-P energy: -74.618 tors. eta vs tors. theta energy: -159.784 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: 9 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1835.410627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.410627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.410627 (E_RNA) where: Base-Base interactions energy: -1315.318 where: short stacking energy: -610.893 Base-Backbone interact. energy: -3.583 local terms energy: -516.510020 where: bonds (distance) C4'-P energy: -88.946 bonds (distance) P-C4' energy: -85.526 flat angles C4'-P-C4' energy: -105.700 flat angles P-C4'-P energy: -79.680 tors. eta vs tors. theta energy: -156.659 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: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1773.356780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.356780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.356780 (E_RNA) where: Base-Base interactions energy: -1281.158 where: short stacking energy: -574.465 Base-Backbone interact. energy: -3.973 local terms energy: -488.225384 where: bonds (distance) C4'-P energy: -86.656 bonds (distance) P-C4' energy: -95.764 flat angles C4'-P-C4' energy: -88.917 flat angles P-C4'-P energy: -66.948 tors. eta vs tors. theta energy: -149.941 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: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1666.079512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.079512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.079512 (E_RNA) where: Base-Base interactions energy: -1185.665 where: short stacking energy: -573.337 Base-Backbone interact. energy: -0.122 local terms energy: -480.293027 where: bonds (distance) C4'-P energy: -78.036 bonds (distance) P-C4' energy: -84.700 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: -151.993 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: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1667.497274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.497274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.497274 (E_RNA) where: Base-Base interactions energy: -1198.339 where: short stacking energy: -554.223 Base-Backbone interact. energy: -1.154 local terms energy: -468.005204 where: bonds (distance) C4'-P energy: -77.864 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -111.095 flat angles P-C4'-P energy: -63.297 tors. eta vs tors. theta energy: -143.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1608.077738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.077738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.077738 (E_RNA) where: Base-Base interactions energy: -1154.810 where: short stacking energy: -529.979 Base-Backbone interact. energy: 1.062 local terms energy: -454.330296 where: bonds (distance) C4'-P energy: -68.213 bonds (distance) P-C4' energy: -86.790 flat angles C4'-P-C4' energy: -106.007 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: -130.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1488.713040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.713040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.713040 (E_RNA) where: Base-Base interactions energy: -1076.700 where: short stacking energy: -502.339 Base-Backbone interact. energy: 6.109 local terms energy: -418.121806 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -90.458 flat angles P-C4'-P energy: -56.951 tors. eta vs tors. theta energy: -135.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1345.931441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.931441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.931441 (E_RNA) where: Base-Base interactions energy: -962.219 where: short stacking energy: -438.915 Base-Backbone interact. energy: -2.025 local terms energy: -381.686933 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -68.743 flat angles C4'-P-C4' energy: -81.768 flat angles P-C4'-P energy: -38.187 tors. eta vs tors. theta energy: -108.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1236.681889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.681889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.681889 (E_RNA) where: Base-Base interactions energy: -852.540 where: short stacking energy: -415.837 Base-Backbone interact. energy: 1.093 local terms energy: -385.234898 where: bonds (distance) C4'-P energy: -81.923 bonds (distance) P-C4' energy: -76.970 flat angles C4'-P-C4' energy: -82.819 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -100.231 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: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1931.538407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.538407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.538407 (E_RNA) where: Base-Base interactions energy: -1377.644 where: short stacking energy: -630.522 Base-Backbone interact. energy: -2.485 local terms energy: -551.409321 where: bonds (distance) C4'-P energy: -101.009 bonds (distance) P-C4' energy: -102.233 flat angles C4'-P-C4' energy: -110.361 flat angles P-C4'-P energy: -69.658 tors. eta vs tors. theta energy: -168.149 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: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1898.789681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.789681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.789681 (E_RNA) where: Base-Base interactions energy: -1369.334 where: short stacking energy: -595.933 Base-Backbone interact. energy: 1.578 local terms energy: -531.034244 where: bonds (distance) C4'-P energy: -99.041 bonds (distance) P-C4' energy: -89.201 flat angles C4'-P-C4' energy: -110.221 flat angles P-C4'-P energy: -72.677 tors. eta vs tors. theta energy: -159.895 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: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1816.624375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.624375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.624375 (E_RNA) where: Base-Base interactions energy: -1306.644 where: short stacking energy: -592.773 Base-Backbone interact. energy: -4.485 local terms energy: -505.495137 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -95.210 flat angles C4'-P-C4' energy: -111.045 flat angles P-C4'-P energy: -61.022 tors. eta vs tors. theta energy: -156.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1770.446078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.446078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.446078 (E_RNA) where: Base-Base interactions energy: -1265.673 where: short stacking energy: -547.403 Base-Backbone interact. energy: -3.545 local terms energy: -501.227371 where: bonds (distance) C4'-P energy: -89.239 bonds (distance) P-C4' energy: -83.174 flat angles C4'-P-C4' energy: -104.669 flat angles P-C4'-P energy: -74.901 tors. eta vs tors. theta energy: -149.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1652.741729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.741729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.741729 (E_RNA) where: Base-Base interactions energy: -1141.717 where: short stacking energy: -548.657 Base-Backbone interact. energy: -0.586 local terms energy: -510.438447 where: bonds (distance) C4'-P energy: -99.188 bonds (distance) P-C4' energy: -91.682 flat angles C4'-P-C4' energy: -107.023 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -144.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1628.190995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.190995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.190995 (E_RNA) where: Base-Base interactions energy: -1160.036 where: short stacking energy: -512.465 Base-Backbone interact. energy: -2.232 local terms energy: -465.923101 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -83.954 flat angles C4'-P-C4' energy: -96.346 flat angles P-C4'-P energy: -78.481 tors. eta vs tors. theta energy: -134.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1597.906746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.906746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.906746 (E_RNA) where: Base-Base interactions energy: -1141.669 where: short stacking energy: -529.546 Base-Backbone interact. energy: -3.073 local terms energy: -453.164394 where: bonds (distance) C4'-P energy: -78.913 bonds (distance) P-C4' energy: -79.225 flat angles C4'-P-C4' energy: -90.319 flat angles P-C4'-P energy: -65.052 tors. eta vs tors. theta energy: -139.656 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: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1511.613864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.613864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.613864 (E_RNA) where: Base-Base interactions energy: -1093.196 where: short stacking energy: -519.629 Base-Backbone interact. energy: 3.153 local terms energy: -421.570939 where: bonds (distance) C4'-P energy: -62.353 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -81.587 flat angles P-C4'-P energy: -67.640 tors. eta vs tors. theta energy: -133.783 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: 225 Temperature: 1.300000 Total energy: -1366.562122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.562122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.562122 (E_RNA) where: Base-Base interactions energy: -982.950 where: short stacking energy: -441.191 Base-Backbone interact. energy: -0.706 local terms energy: -382.906648 where: bonds (distance) C4'-P energy: -76.955 bonds (distance) P-C4' energy: -84.753 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -39.852 tors. eta vs tors. theta energy: -113.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1273.435297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.435297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.435297 (E_RNA) where: Base-Base interactions energy: -904.054 where: short stacking energy: -416.246 Base-Backbone interact. energy: -0.483 local terms energy: -368.898820 where: bonds (distance) C4'-P energy: -44.730 bonds (distance) P-C4' energy: -82.389 flat angles C4'-P-C4' energy: -90.649 flat angles P-C4'-P energy: -47.986 tors. eta vs tors. theta energy: -103.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1932.816072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.816072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.816072 (E_RNA) where: Base-Base interactions energy: -1384.430 where: short stacking energy: -641.089 Base-Backbone interact. energy: -2.204 local terms energy: -546.181586 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -94.033 flat angles C4'-P-C4' energy: -118.223 flat angles P-C4'-P energy: -71.441 tors. eta vs tors. theta energy: -166.336 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: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1893.180737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.180737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.180737 (E_RNA) where: Base-Base interactions energy: -1371.848 where: short stacking energy: -601.793 Base-Backbone interact. energy: 0.773 local terms energy: -522.105225 where: bonds (distance) C4'-P energy: -91.110 bonds (distance) P-C4' energy: -91.805 flat angles C4'-P-C4' energy: -98.198 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -166.868 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: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1818.322967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.322967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.322967 (E_RNA) where: Base-Base interactions energy: -1303.778 where: short stacking energy: -589.460 Base-Backbone interact. energy: -2.599 local terms energy: -511.945197 where: bonds (distance) C4'-P energy: -81.972 bonds (distance) P-C4' energy: -88.712 flat angles C4'-P-C4' energy: -114.504 flat angles P-C4'-P energy: -67.529 tors. eta vs tors. theta energy: -159.228 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: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1738.749578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.749578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.749578 (E_RNA) where: Base-Base interactions energy: -1251.203 where: short stacking energy: -550.543 Base-Backbone interact. energy: 2.645 local terms energy: -490.191424 where: bonds (distance) C4'-P energy: -75.374 bonds (distance) P-C4' energy: -94.885 flat angles C4'-P-C4' energy: -97.807 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: -149.872 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: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1663.078179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.078179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.078179 (E_RNA) where: Base-Base interactions energy: -1184.557 where: short stacking energy: -549.789 Base-Backbone interact. energy: -1.560 local terms energy: -476.961437 where: bonds (distance) C4'-P energy: -85.575 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -102.771 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -151.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1603.701699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.701699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.701699 (E_RNA) where: Base-Base interactions energy: -1152.713 where: short stacking energy: -526.577 Base-Backbone interact. energy: -2.655 local terms energy: -448.333389 where: bonds (distance) C4'-P energy: -69.029 bonds (distance) P-C4' energy: -76.053 flat angles C4'-P-C4' energy: -102.666 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -140.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1615.624060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.624060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.624060 (E_RNA) where: Base-Base interactions energy: -1159.912 where: short stacking energy: -525.115 Base-Backbone interact. energy: 0.237 local terms energy: -455.948763 where: bonds (distance) C4'-P energy: -62.922 bonds (distance) P-C4' energy: -89.499 flat angles C4'-P-C4' energy: -105.285 flat angles P-C4'-P energy: -56.940 tors. eta vs tors. theta energy: -141.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1451.529670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.529670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.529670 (E_RNA) where: Base-Base interactions energy: -1037.424 where: short stacking energy: -467.231 Base-Backbone interact. energy: -1.359 local terms energy: -412.746523 where: bonds (distance) C4'-P energy: -74.985 bonds (distance) P-C4' energy: -76.278 flat angles C4'-P-C4' energy: -92.125 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -120.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1378.673698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.673698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.673698 (E_RNA) where: Base-Base interactions energy: -975.998 where: short stacking energy: -436.203 Base-Backbone interact. energy: -2.527 local terms energy: -400.148340 where: bonds (distance) C4'-P energy: -71.094 bonds (distance) P-C4' energy: -76.174 flat angles C4'-P-C4' energy: -86.445 flat angles P-C4'-P energy: -53.098 tors. eta vs tors. theta energy: -113.338 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: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1220.082162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.082162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.082162 (E_RNA) where: Base-Base interactions energy: -869.023 where: short stacking energy: -421.865 Base-Backbone interact. energy: -0.029 local terms energy: -351.030150 where: bonds (distance) C4'-P energy: -68.472 bonds (distance) P-C4' energy: -74.645 flat angles C4'-P-C4' energy: -71.168 flat angles P-C4'-P energy: -41.730 tors. eta vs tors. theta energy: -95.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1938.225510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.225510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.225510 (E_RNA) where: Base-Base interactions energy: -1388.085 where: short stacking energy: -644.579 Base-Backbone interact. energy: -1.805 local terms energy: -548.334919 where: bonds (distance) C4'-P energy: -99.339 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -110.025 flat angles P-C4'-P energy: -75.959 tors. eta vs tors. theta energy: -165.322 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: 227 Temperature: 0.950000 Total energy: -1907.149059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.149059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.149059 (E_RNA) where: Base-Base interactions energy: -1377.239 where: short stacking energy: -629.852 Base-Backbone interact. energy: 0.855 local terms energy: -530.765703 where: bonds (distance) C4'-P energy: -88.157 bonds (distance) P-C4' energy: -96.214 flat angles C4'-P-C4' energy: -114.291 flat angles P-C4'-P energy: -72.120 tors. eta vs tors. theta energy: -159.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1816.969129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.969129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.969129 (E_RNA) where: Base-Base interactions energy: -1321.127 where: short stacking energy: -603.506 Base-Backbone interact. energy: -2.593 local terms energy: -493.249614 where: bonds (distance) C4'-P energy: -85.858 bonds (distance) P-C4' energy: -76.705 flat angles C4'-P-C4' energy: -106.664 flat angles P-C4'-P energy: -78.948 tors. eta vs tors. theta energy: -145.073 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: 227 Temperature: 1.050000 Total energy: -1745.560522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.560522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.560522 (E_RNA) where: Base-Base interactions energy: -1268.298 where: short stacking energy: -560.820 Base-Backbone interact. energy: 1.192 local terms energy: -478.455234 where: bonds (distance) C4'-P energy: -72.889 bonds (distance) P-C4' energy: -84.081 flat angles C4'-P-C4' energy: -110.487 flat angles P-C4'-P energy: -64.099 tors. eta vs tors. theta energy: -146.900 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: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1626.733034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.733034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.733034 (E_RNA) where: Base-Base interactions energy: -1145.157 where: short stacking energy: -523.419 Base-Backbone interact. energy: -1.985 local terms energy: -479.591362 where: bonds (distance) C4'-P energy: -89.191 bonds (distance) P-C4' energy: -87.950 flat angles C4'-P-C4' energy: -95.458 flat angles P-C4'-P energy: -69.344 tors. eta vs tors. theta energy: -137.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1641.863393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.863393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.863393 (E_RNA) where: Base-Base interactions energy: -1188.346 where: short stacking energy: -553.725 Base-Backbone interact. energy: 1.093 local terms energy: -454.610400 where: bonds (distance) C4'-P energy: -78.022 bonds (distance) P-C4' energy: -75.535 flat angles C4'-P-C4' energy: -103.290 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -136.451 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: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1607.547083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.547083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.547083 (E_RNA) where: Base-Base interactions energy: -1141.551 where: short stacking energy: -530.087 Base-Backbone interact. energy: -0.188 local terms energy: -465.808162 where: bonds (distance) C4'-P energy: -88.896 bonds (distance) P-C4' energy: -65.065 flat angles C4'-P-C4' energy: -99.088 flat angles P-C4'-P energy: -66.089 tors. eta vs tors. theta energy: -146.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1487.894581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.894581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.894581 (E_RNA) where: Base-Base interactions energy: -1068.483 where: short stacking energy: -468.679 Base-Backbone interact. energy: -1.092 local terms energy: -418.319769 where: bonds (distance) C4'-P energy: -71.326 bonds (distance) P-C4' energy: -78.287 flat angles C4'-P-C4' energy: -96.509 flat angles P-C4'-P energy: -49.425 tors. eta vs tors. theta energy: -122.773 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: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1433.722469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.722469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.722469 (E_RNA) where: Base-Base interactions energy: -1016.237 where: short stacking energy: -447.114 Base-Backbone interact. energy: -3.290 local terms energy: -414.195846 where: bonds (distance) C4'-P energy: -73.922 bonds (distance) P-C4' energy: -78.592 flat angles C4'-P-C4' energy: -91.889 flat angles P-C4'-P energy: -56.352 tors. eta vs tors. theta energy: -113.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1295.096376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.096376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.096376 (E_RNA) where: Base-Base interactions energy: -884.299 where: short stacking energy: -411.973 Base-Backbone interact. energy: -3.258 local terms energy: -407.539465 where: bonds (distance) C4'-P energy: -78.676 bonds (distance) P-C4' energy: -86.947 flat angles C4'-P-C4' energy: -88.496 flat angles P-C4'-P energy: -53.888 tors. eta vs tors. theta energy: -99.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1948.929970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.929970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.929970 (E_RNA) where: Base-Base interactions energy: -1388.879 where: short stacking energy: -646.809 Base-Backbone interact. energy: -0.466 local terms energy: -559.584867 where: bonds (distance) C4'-P energy: -97.707 bonds (distance) P-C4' energy: -102.957 flat angles C4'-P-C4' energy: -112.069 flat angles P-C4'-P energy: -81.718 tors. eta vs tors. theta energy: -165.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1873.905085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.905085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.905085 (E_RNA) where: Base-Base interactions energy: -1346.940 where: short stacking energy: -594.844 Base-Backbone interact. energy: -1.558 local terms energy: -525.406585 where: bonds (distance) C4'-P energy: -93.166 bonds (distance) P-C4' energy: -98.223 flat angles C4'-P-C4' energy: -106.297 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -158.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1813.827115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.827115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.827115 (E_RNA) where: Base-Base interactions energy: -1309.166 where: short stacking energy: -605.284 Base-Backbone interact. energy: -1.135 local terms energy: -503.526058 where: bonds (distance) C4'-P energy: -81.527 bonds (distance) P-C4' energy: -90.019 flat angles C4'-P-C4' energy: -108.010 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -157.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1734.370135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.370135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.370135 (E_RNA) where: Base-Base interactions energy: -1247.187 where: short stacking energy: -566.357 Base-Backbone interact. energy: -2.173 local terms energy: -485.009541 where: bonds (distance) C4'-P energy: -89.815 bonds (distance) P-C4' energy: -87.354 flat angles C4'-P-C4' energy: -104.936 flat angles P-C4'-P energy: -56.292 tors. eta vs tors. theta energy: -146.613 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: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1651.454718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.454718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.454718 (E_RNA) where: Base-Base interactions energy: -1179.563 where: short stacking energy: -530.349 Base-Backbone interact. energy: -0.957 local terms energy: -470.935164 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -95.768 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -136.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1610.542450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.542450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.542450 (E_RNA) where: Base-Base interactions energy: -1125.562 where: short stacking energy: -521.561 Base-Backbone interact. energy: -2.929 local terms energy: -482.051153 where: bonds (distance) C4'-P energy: -82.831 bonds (distance) P-C4' energy: -91.064 flat angles C4'-P-C4' energy: -99.460 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: -141.349 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: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1588.484734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.484734 (E_RNA) where: Base-Base interactions energy: -1146.558 where: short stacking energy: -499.646 Base-Backbone interact. energy: -0.176 local terms energy: -441.750667 where: bonds (distance) C4'-P energy: -64.600 bonds (distance) P-C4' energy: -89.529 flat angles C4'-P-C4' energy: -90.870 flat angles P-C4'-P energy: -60.130 tors. eta vs tors. theta energy: -136.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1552.839817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.839817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.839817 (E_RNA) where: Base-Base interactions energy: -1102.573 where: short stacking energy: -513.396 Base-Backbone interact. energy: 4.517 local terms energy: -454.783372 where: bonds (distance) C4'-P energy: -75.724 bonds (distance) P-C4' energy: -73.855 flat angles C4'-P-C4' energy: -98.041 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: -138.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1420.056187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.056187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.056187 (E_RNA) where: Base-Base interactions energy: -999.569 where: short stacking energy: -451.926 Base-Backbone interact. energy: 0.622 local terms energy: -421.108927 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -70.966 flat angles C4'-P-C4' energy: -85.854 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -117.640 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: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1240.664806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.664806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.664806 (E_RNA) where: Base-Base interactions energy: -860.112 where: short stacking energy: -416.049 Base-Backbone interact. energy: 0.067 local terms energy: -380.619410 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -70.307 flat angles C4'-P-C4' energy: -88.740 flat angles P-C4'-P energy: -67.043 tors. eta vs tors. theta energy: -101.469 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: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1944.717527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.717527 (E_RNA) where: Base-Base interactions energy: -1385.769 where: short stacking energy: -632.838 Base-Backbone interact. energy: -3.068 local terms energy: -555.880368 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -98.896 flat angles C4'-P-C4' energy: -115.329 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -168.713 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: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1882.293190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.293190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.293190 (E_RNA) where: Base-Base interactions energy: -1363.169 where: short stacking energy: -614.298 Base-Backbone interact. energy: -2.033 local terms energy: -517.090668 where: bonds (distance) C4'-P energy: -87.386 bonds (distance) P-C4' energy: -90.300 flat angles C4'-P-C4' energy: -109.921 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -157.971 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: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1829.705812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.705812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.705812 (E_RNA) where: Base-Base interactions energy: -1310.135 where: short stacking energy: -607.191 Base-Backbone interact. energy: -1.928 local terms energy: -517.642804 where: bonds (distance) C4'-P energy: -83.355 bonds (distance) P-C4' energy: -79.528 flat angles C4'-P-C4' energy: -119.642 flat angles P-C4'-P energy: -75.009 tors. eta vs tors. theta energy: -160.110 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: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1725.274358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.274358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.274358 (E_RNA) where: Base-Base interactions energy: -1234.876 where: short stacking energy: -559.867 Base-Backbone interact. energy: 2.941 local terms energy: -493.339942 where: bonds (distance) C4'-P energy: -80.279 bonds (distance) P-C4' energy: -92.215 flat angles C4'-P-C4' energy: -107.991 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -148.373 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: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1642.508551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.508551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.508551 (E_RNA) where: Base-Base interactions energy: -1167.131 where: short stacking energy: -537.430 Base-Backbone interact. energy: -2.055 local terms energy: -473.322513 where: bonds (distance) C4'-P energy: -86.602 bonds (distance) P-C4' energy: -78.343 flat angles C4'-P-C4' energy: -103.716 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -147.741 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: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1620.778516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.778516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.778516 (E_RNA) where: Base-Base interactions energy: -1146.538 where: short stacking energy: -540.544 Base-Backbone interact. energy: 3.134 local terms energy: -477.374697 where: bonds (distance) C4'-P energy: -75.558 bonds (distance) P-C4' energy: -95.640 flat angles C4'-P-C4' energy: -106.987 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -142.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1593.329047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.329047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.329047 (E_RNA) where: Base-Base interactions energy: -1129.422 where: short stacking energy: -501.203 Base-Backbone interact. energy: -1.312 local terms energy: -462.595279 where: bonds (distance) C4'-P energy: -79.325 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -99.143 flat angles P-C4'-P energy: -56.732 tors. eta vs tors. theta energy: -140.534 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: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1451.965223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.965223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.965223 (E_RNA) where: Base-Base interactions energy: -1030.352 where: short stacking energy: -477.283 Base-Backbone interact. energy: 1.880 local terms energy: -423.492769 where: bonds (distance) C4'-P energy: -76.607 bonds (distance) P-C4' energy: -67.610 flat angles C4'-P-C4' energy: -94.503 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -120.532 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: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1504.703154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.703154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.703154 (E_RNA) where: Base-Base interactions energy: -1082.981 where: short stacking energy: -496.162 Base-Backbone interact. energy: -0.701 local terms energy: -421.021662 where: bonds (distance) C4'-P energy: -68.568 bonds (distance) P-C4' energy: -80.202 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -48.338 tors. eta vs tors. theta energy: -124.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1229.406718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.406718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.406718 (E_RNA) where: Base-Base interactions energy: -848.633 where: short stacking energy: -400.941 Base-Backbone interact. energy: -1.758 local terms energy: -379.015732 where: bonds (distance) C4'-P energy: -65.527 bonds (distance) P-C4' energy: -64.521 flat angles C4'-P-C4' energy: -90.553 flat angles P-C4'-P energy: -47.631 tors. eta vs tors. theta energy: -110.783 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: 230 Temperature: 0.900000 Total energy: -1902.534820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.534820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.534820 (E_RNA) where: Base-Base interactions energy: -1378.616 where: short stacking energy: -616.231 Base-Backbone interact. energy: 0.239 local terms energy: -524.158262 where: bonds (distance) C4'-P energy: -88.127 bonds (distance) P-C4' energy: -87.470 flat angles C4'-P-C4' energy: -108.379 flat angles P-C4'-P energy: -79.115 tors. eta vs tors. theta energy: -161.068 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: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1941.663375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.663375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.663375 (E_RNA) where: Base-Base interactions energy: -1385.367 where: short stacking energy: -636.955 Base-Backbone interact. energy: -1.391 local terms energy: -554.905184 where: bonds (distance) C4'-P energy: -90.767 bonds (distance) P-C4' energy: -91.578 flat angles C4'-P-C4' energy: -114.423 flat angles P-C4'-P energy: -86.039 tors. eta vs tors. theta energy: -172.098 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: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1850.001318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.001318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.001318 (E_RNA) where: Base-Base interactions energy: -1329.403 where: short stacking energy: -609.584 Base-Backbone interact. energy: -1.676 local terms energy: -518.922337 where: bonds (distance) C4'-P energy: -88.218 bonds (distance) P-C4' energy: -98.093 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -152.447 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1727.125812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.125812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.125812 (E_RNA) where: Base-Base interactions energy: -1237.343 where: short stacking energy: -567.620 Base-Backbone interact. energy: -1.321 local terms energy: -488.461366 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -95.847 flat angles C4'-P-C4' energy: -94.900 flat angles P-C4'-P energy: -63.729 tors. eta vs tors. theta energy: -146.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1704.884925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.884925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.884925 (E_RNA) where: Base-Base interactions energy: -1215.995 where: short stacking energy: -561.422 Base-Backbone interact. energy: -0.292 local terms energy: -488.598009 where: bonds (distance) C4'-P energy: -82.631 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -106.053 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -140.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1620.176313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.176313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.176313 (E_RNA) where: Base-Base interactions energy: -1154.178 where: short stacking energy: -508.203 Base-Backbone interact. energy: -2.408 local terms energy: -463.590846 where: bonds (distance) C4'-P energy: -77.230 bonds (distance) P-C4' energy: -87.574 flat angles C4'-P-C4' energy: -100.173 flat angles P-C4'-P energy: -61.716 tors. eta vs tors. theta energy: -136.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1613.481844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.481844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.481844 (E_RNA) where: Base-Base interactions energy: -1168.262 where: short stacking energy: -516.216 Base-Backbone interact. energy: -1.215 local terms energy: -444.004389 where: bonds (distance) C4'-P energy: -80.217 bonds (distance) P-C4' energy: -77.131 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -55.892 tors. eta vs tors. theta energy: -139.343 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: 230 Temperature: 1.250000 Total energy: -1459.017538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.017538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.017538 (E_RNA) where: Base-Base interactions energy: -1035.103 where: short stacking energy: -465.692 Base-Backbone interact. energy: -0.871 local terms energy: -423.043527 where: bonds (distance) C4'-P energy: -72.841 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -96.289 flat angles P-C4'-P energy: -51.037 tors. eta vs tors. theta energy: -117.559 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: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1494.416248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.416248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.416248 (E_RNA) where: Base-Base interactions energy: -1073.457 where: short stacking energy: -479.031 Base-Backbone interact. energy: 0.970 local terms energy: -421.929263 where: bonds (distance) C4'-P energy: -69.980 bonds (distance) P-C4' energy: -83.987 flat angles C4'-P-C4' energy: -84.447 flat angles P-C4'-P energy: -55.698 tors. eta vs tors. theta energy: -127.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1241.986725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.986725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.986725 (E_RNA) where: Base-Base interactions energy: -887.540 where: short stacking energy: -405.613 Base-Backbone interact. energy: 2.203 local terms energy: -356.649540 where: bonds (distance) C4'-P energy: -57.322 bonds (distance) P-C4' energy: -79.525 flat angles C4'-P-C4' energy: -86.711 flat angles P-C4'-P energy: -41.476 tors. eta vs tors. theta energy: -91.615 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1919.576456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.576456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.576456 (E_RNA) where: Base-Base interactions energy: -1383.514 where: short stacking energy: -608.733 Base-Backbone interact. energy: -0.481 local terms energy: -535.581595 where: bonds (distance) C4'-P energy: -103.085 bonds (distance) P-C4' energy: -79.865 flat angles C4'-P-C4' energy: -116.032 flat angles P-C4'-P energy: -75.104 tors. eta vs tors. theta energy: -161.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1910.368736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.368736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.368736 (E_RNA) where: Base-Base interactions energy: -1376.768 where: short stacking energy: -615.233 Base-Backbone interact. energy: -2.054 local terms energy: -531.545894 where: bonds (distance) C4'-P energy: -88.271 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -80.737 tors. eta vs tors. theta energy: -164.601 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: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1828.918092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.918092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.918092 (E_RNA) where: Base-Base interactions energy: -1318.771 where: short stacking energy: -595.972 Base-Backbone interact. energy: -3.858 local terms energy: -506.289483 where: bonds (distance) C4'-P energy: -87.409 bonds (distance) P-C4' energy: -85.914 flat angles C4'-P-C4' energy: -99.939 flat angles P-C4'-P energy: -71.912 tors. eta vs tors. theta energy: -161.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1728.257997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.257997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.257997 (E_RNA) where: Base-Base interactions energy: -1232.882 where: short stacking energy: -555.879 Base-Backbone interact. energy: -2.672 local terms energy: -492.704585 where: bonds (distance) C4'-P energy: -85.773 bonds (distance) P-C4' energy: -86.774 flat angles C4'-P-C4' energy: -98.873 flat angles P-C4'-P energy: -70.649 tors. eta vs tors. theta energy: -150.635 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: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1668.296150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.296150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.296150 (E_RNA) where: Base-Base interactions energy: -1191.975 where: short stacking energy: -558.873 Base-Backbone interact. energy: -3.111 local terms energy: -473.210125 where: bonds (distance) C4'-P energy: -76.894 bonds (distance) P-C4' energy: -75.033 flat angles C4'-P-C4' energy: -98.887 flat angles P-C4'-P energy: -72.049 tors. eta vs tors. theta energy: -150.348 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: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1641.379223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.379223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.379223 (E_RNA) where: Base-Base interactions energy: -1185.520 where: short stacking energy: -552.816 Base-Backbone interact. energy: -0.728 local terms energy: -455.130718 where: bonds (distance) C4'-P energy: -75.411 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -64.227 tors. eta vs tors. theta energy: -138.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1560.494656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.494656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.494656 (E_RNA) where: Base-Base interactions energy: -1117.802 where: short stacking energy: -529.001 Base-Backbone interact. energy: -1.069 local terms energy: -441.624045 where: bonds (distance) C4'-P energy: -81.487 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -95.246 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -137.409 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: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1497.985215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.985215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.985215 (E_RNA) where: Base-Base interactions energy: -1042.955 where: short stacking energy: -472.786 Base-Backbone interact. energy: -1.558 local terms energy: -453.472267 where: bonds (distance) C4'-P energy: -91.251 bonds (distance) P-C4' energy: -87.259 flat angles C4'-P-C4' energy: -97.447 flat angles P-C4'-P energy: -49.433 tors. eta vs tors. theta energy: -128.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1380.639431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.639431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.639431 (E_RNA) where: Base-Base interactions energy: -976.763 where: short stacking energy: -443.622 Base-Backbone interact. energy: 0.041 local terms energy: -403.917018 where: bonds (distance) C4'-P energy: -80.805 bonds (distance) P-C4' energy: -77.433 flat angles C4'-P-C4' energy: -73.864 flat angles P-C4'-P energy: -57.191 tors. eta vs tors. theta energy: -114.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1235.109413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.109413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.109413 (E_RNA) where: Base-Base interactions energy: -876.922 where: short stacking energy: -448.054 Base-Backbone interact. energy: 3.380 local terms energy: -361.566555 where: bonds (distance) C4'-P energy: -70.356 bonds (distance) P-C4' energy: -67.916 flat angles C4'-P-C4' energy: -87.914 flat angles P-C4'-P energy: -30.295 tors. eta vs tors. theta energy: -105.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1915.141709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.141709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.141709 (E_RNA) where: Base-Base interactions energy: -1396.053 where: short stacking energy: -619.380 Base-Backbone interact. energy: -3.422 local terms energy: -515.667038 where: bonds (distance) C4'-P energy: -79.956 bonds (distance) P-C4' energy: -92.530 flat angles C4'-P-C4' energy: -112.383 flat angles P-C4'-P energy: -69.938 tors. eta vs tors. theta energy: -160.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1926.015256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.015256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.015256 (E_RNA) where: Base-Base interactions energy: -1369.240 where: short stacking energy: -626.098 Base-Backbone interact. energy: -2.196 local terms energy: -554.579995 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -113.781 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -167.291 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: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1829.969537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.969537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.969537 (E_RNA) where: Base-Base interactions energy: -1301.534 where: short stacking energy: -590.240 Base-Backbone interact. energy: -1.894 local terms energy: -526.541585 where: bonds (distance) C4'-P energy: -87.475 bonds (distance) P-C4' energy: -98.428 flat angles C4'-P-C4' energy: -110.739 flat angles P-C4'-P energy: -72.658 tors. eta vs tors. theta energy: -157.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1712.076785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.076785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.076785 (E_RNA) where: Base-Base interactions energy: -1237.772 where: short stacking energy: -568.878 Base-Backbone interact. energy: 2.025 local terms energy: -476.329667 where: bonds (distance) C4'-P energy: -87.424 bonds (distance) P-C4' energy: -70.835 flat angles C4'-P-C4' energy: -103.438 flat angles P-C4'-P energy: -72.636 tors. eta vs tors. theta energy: -141.996 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: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1699.408096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.408096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.408096 (E_RNA) where: Base-Base interactions energy: -1223.122 where: short stacking energy: -542.144 Base-Backbone interact. energy: -1.191 local terms energy: -475.094623 where: bonds (distance) C4'-P energy: -92.603 bonds (distance) P-C4' energy: -72.875 flat angles C4'-P-C4' energy: -98.976 flat angles P-C4'-P energy: -61.557 tors. eta vs tors. theta energy: -149.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1663.739051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.739051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.739051 (E_RNA) where: Base-Base interactions energy: -1194.982 where: short stacking energy: -540.229 Base-Backbone interact. energy: 4.051 local terms energy: -472.808947 where: bonds (distance) C4'-P energy: -77.996 bonds (distance) P-C4' energy: -80.603 flat angles C4'-P-C4' energy: -103.734 flat angles P-C4'-P energy: -60.845 tors. eta vs tors. theta energy: -149.630 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: 232 Temperature: 1.200000 Total energy: -1519.222306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.222306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.222306 (E_RNA) where: Base-Base interactions energy: -1095.854 where: short stacking energy: -505.521 Base-Backbone interact. energy: 1.433 local terms energy: -424.800986 where: bonds (distance) C4'-P energy: -71.413 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -93.372 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -128.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1518.971736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.971736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.971736 (E_RNA) where: Base-Base interactions energy: -1112.091 where: short stacking energy: -505.233 Base-Backbone interact. energy: 4.322 local terms energy: -411.202874 where: bonds (distance) C4'-P energy: -67.100 bonds (distance) P-C4' energy: -69.161 flat angles C4'-P-C4' energy: -84.080 flat angles P-C4'-P energy: -55.725 tors. eta vs tors. theta energy: -135.137 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: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1377.034389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.034389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.034389 (E_RNA) where: Base-Base interactions energy: -971.187 where: short stacking energy: -439.168 Base-Backbone interact. energy: 0.805 local terms energy: -406.652127 where: bonds (distance) C4'-P energy: -77.192 bonds (distance) P-C4' energy: -53.875 flat angles C4'-P-C4' energy: -88.428 flat angles P-C4'-P energy: -75.807 tors. eta vs tors. theta energy: -111.349 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: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1200.655508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.655508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.655508 (E_RNA) where: Base-Base interactions energy: -825.819 where: short stacking energy: -404.736 Base-Backbone interact. energy: -0.489 local terms energy: -374.347414 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -83.728 flat angles C4'-P-C4' energy: -83.406 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -88.999 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: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1928.981659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.981659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.981659 (E_RNA) where: Base-Base interactions energy: -1391.572 where: short stacking energy: -617.733 Base-Backbone interact. energy: -2.536 local terms energy: -534.873791 where: bonds (distance) C4'-P energy: -93.129 bonds (distance) P-C4' energy: -86.632 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -78.234 tors. eta vs tors. theta energy: -159.788 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: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1914.994716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.994716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.994716 (E_RNA) where: Base-Base interactions energy: -1368.210 where: short stacking energy: -636.240 Base-Backbone interact. energy: -2.225 local terms energy: -544.559519 where: bonds (distance) C4'-P energy: -85.574 bonds (distance) P-C4' energy: -95.310 flat angles C4'-P-C4' energy: -116.267 flat angles P-C4'-P energy: -77.452 tors. eta vs tors. theta energy: -169.957 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: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1807.437038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.437038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.437038 (E_RNA) where: Base-Base interactions energy: -1300.124 where: short stacking energy: -576.089 Base-Backbone interact. energy: -5.503 local terms energy: -501.810276 where: bonds (distance) C4'-P energy: -97.492 bonds (distance) P-C4' energy: -84.676 flat angles C4'-P-C4' energy: -106.450 flat angles P-C4'-P energy: -57.074 tors. eta vs tors. theta energy: -156.118 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: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1759.211021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.211021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.211021 (E_RNA) where: Base-Base interactions energy: -1266.053 where: short stacking energy: -555.043 Base-Backbone interact. energy: -2.853 local terms energy: -490.304931 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -82.767 flat angles C4'-P-C4' energy: -109.584 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -146.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1672.893788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.893788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.893788 (E_RNA) where: Base-Base interactions energy: -1205.741 where: short stacking energy: -538.422 Base-Backbone interact. energy: 1.357 local terms energy: -468.509340 where: bonds (distance) C4'-P energy: -67.945 bonds (distance) P-C4' energy: -84.746 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -61.088 tors. eta vs tors. theta energy: -141.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1656.365621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.365621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.365621 (E_RNA) where: Base-Base interactions energy: -1193.857 where: short stacking energy: -546.603 Base-Backbone interact. energy: -2.240 local terms energy: -460.268803 where: bonds (distance) C4'-P energy: -73.102 bonds (distance) P-C4' energy: -81.985 flat angles C4'-P-C4' energy: -97.945 flat angles P-C4'-P energy: -62.069 tors. eta vs tors. theta energy: -145.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1539.247929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.247929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.247929 (E_RNA) where: Base-Base interactions energy: -1116.267 where: short stacking energy: -517.765 Base-Backbone interact. energy: -1.454 local terms energy: -421.526488 where: bonds (distance) C4'-P energy: -58.978 bonds (distance) P-C4' energy: -74.142 flat angles C4'-P-C4' energy: -102.528 flat angles P-C4'-P energy: -53.177 tors. eta vs tors. theta energy: -132.703 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: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1565.881485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.881485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.881485 (E_RNA) where: Base-Base interactions energy: -1096.291 where: short stacking energy: -475.037 Base-Backbone interact. energy: 0.281 local terms energy: -469.871324 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -88.110 flat angles C4'-P-C4' energy: -97.814 flat angles P-C4'-P energy: -61.764 tors. eta vs tors. theta energy: -132.919 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: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1355.452922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.452922 (E_RNA) where: Base-Base interactions energy: -948.808 where: short stacking energy: -454.689 Base-Backbone interact. energy: -1.864 local terms energy: -404.781027 where: bonds (distance) C4'-P energy: -68.547 bonds (distance) P-C4' energy: -70.945 flat angles C4'-P-C4' energy: -91.808 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -117.537 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: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1241.393766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.393766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.393766 (E_RNA) where: Base-Base interactions energy: -855.904 where: short stacking energy: -428.961 Base-Backbone interact. energy: -1.324 local terms energy: -384.165882 where: bonds (distance) C4'-P energy: -82.389 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -89.663 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: -104.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1901.832109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.832109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.832109 (E_RNA) where: Base-Base interactions energy: -1357.953 where: short stacking energy: -597.219 Base-Backbone interact. energy: -2.991 local terms energy: -540.888241 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -102.573 flat angles C4'-P-C4' energy: -112.793 flat angles P-C4'-P energy: -84.749 tors. eta vs tors. theta energy: -163.428 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: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1906.872948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.872948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.872948 (E_RNA) where: Base-Base interactions energy: -1360.861 where: short stacking energy: -625.820 Base-Backbone interact. energy: -1.544 local terms energy: -544.467333 where: bonds (distance) C4'-P energy: -78.669 bonds (distance) P-C4' energy: -98.734 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -77.590 tors. eta vs tors. theta energy: -172.958 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: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1811.735457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.735457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.735457 (E_RNA) where: Base-Base interactions energy: -1287.842 where: short stacking energy: -597.157 Base-Backbone interact. energy: -1.330 local terms energy: -522.563351 where: bonds (distance) C4'-P energy: -99.967 bonds (distance) P-C4' energy: -93.651 flat angles C4'-P-C4' energy: -112.913 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: -157.601 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: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1751.936781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.936781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.936781 (E_RNA) where: Base-Base interactions energy: -1251.741 where: short stacking energy: -573.240 Base-Backbone interact. energy: 0.585 local terms energy: -500.780119 where: bonds (distance) C4'-P energy: -81.368 bonds (distance) P-C4' energy: -90.860 flat angles C4'-P-C4' energy: -106.767 flat angles P-C4'-P energy: -75.385 tors. eta vs tors. theta energy: -146.400 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: 234 Temperature: 1.100000 Total energy: -1680.457785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.457785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.457785 (E_RNA) where: Base-Base interactions energy: -1185.912 where: short stacking energy: -525.659 Base-Backbone interact. energy: -1.707 local terms energy: -492.839525 where: bonds (distance) C4'-P energy: -91.007 bonds (distance) P-C4' energy: -95.059 flat angles C4'-P-C4' energy: -99.123 flat angles P-C4'-P energy: -66.020 tors. eta vs tors. theta energy: -141.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1652.656349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.656349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.656349 (E_RNA) where: Base-Base interactions energy: -1185.609 where: short stacking energy: -550.460 Base-Backbone interact. energy: -2.105 local terms energy: -464.941735 where: bonds (distance) C4'-P energy: -73.817 bonds (distance) P-C4' energy: -80.931 flat angles C4'-P-C4' energy: -106.809 flat angles P-C4'-P energy: -63.471 tors. eta vs tors. theta energy: -139.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1595.868023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.868023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.868023 (E_RNA) where: Base-Base interactions energy: -1170.418 where: short stacking energy: -541.935 Base-Backbone interact. energy: -0.434 local terms energy: -425.016013 where: bonds (distance) C4'-P energy: -67.767 bonds (distance) P-C4' energy: -67.446 flat angles C4'-P-C4' energy: -83.434 flat angles P-C4'-P energy: -56.689 tors. eta vs tors. theta energy: -149.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1497.861855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.861855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.861855 (E_RNA) where: Base-Base interactions energy: -1072.600 where: short stacking energy: -509.274 Base-Backbone interact. energy: 1.905 local terms energy: -427.167560 where: bonds (distance) C4'-P energy: -79.274 bonds (distance) P-C4' energy: -73.857 flat angles C4'-P-C4' energy: -86.824 flat angles P-C4'-P energy: -58.906 tors. eta vs tors. theta energy: -128.307 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: 234 Temperature: 1.300000 Total energy: -1354.567819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.567819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.567819 (E_RNA) where: Base-Base interactions energy: -951.950 where: short stacking energy: -432.595 Base-Backbone interact. energy: 0.401 local terms energy: -403.018059 where: bonds (distance) C4'-P energy: -81.852 bonds (distance) P-C4' energy: -72.859 flat angles C4'-P-C4' energy: -92.927 flat angles P-C4'-P energy: -42.929 tors. eta vs tors. theta energy: -112.450 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: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1190.099561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.099561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.099561 (E_RNA) where: Base-Base interactions energy: -798.738 where: short stacking energy: -413.340 Base-Backbone interact. energy: -1.217 local terms energy: -390.144166 where: bonds (distance) C4'-P energy: -75.233 bonds (distance) P-C4' energy: -59.725 flat angles C4'-P-C4' energy: -97.981 flat angles P-C4'-P energy: -59.813 tors. eta vs tors. theta energy: -97.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1913.103099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.103099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.103099 (E_RNA) where: Base-Base interactions energy: -1358.188 where: short stacking energy: -617.993 Base-Backbone interact. energy: -0.915 local terms energy: -554.000295 where: bonds (distance) C4'-P energy: -99.037 bonds (distance) P-C4' energy: -90.552 flat angles C4'-P-C4' energy: -121.322 flat angles P-C4'-P energy: -77.457 tors. eta vs tors. theta energy: -165.632 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: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1911.789637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.789637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.789637 (E_RNA) where: Base-Base interactions energy: -1355.605 where: short stacking energy: -625.483 Base-Backbone interact. energy: -3.697 local terms energy: -552.488499 where: bonds (distance) C4'-P energy: -88.518 bonds (distance) P-C4' energy: -100.057 flat angles C4'-P-C4' energy: -113.082 flat angles P-C4'-P energy: -79.667 tors. eta vs tors. theta energy: -171.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1861.891421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.891421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.891421 (E_RNA) where: Base-Base interactions energy: -1335.159 where: short stacking energy: -614.754 Base-Backbone interact. energy: -3.104 local terms energy: -523.629171 where: bonds (distance) C4'-P energy: -90.950 bonds (distance) P-C4' energy: -85.555 flat angles C4'-P-C4' energy: -115.674 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -162.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1728.095355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.095355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.095355 (E_RNA) where: Base-Base interactions energy: -1217.040 where: short stacking energy: -551.519 Base-Backbone interact. energy: -3.376 local terms energy: -507.679288 where: bonds (distance) C4'-P energy: -79.396 bonds (distance) P-C4' energy: -90.815 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -73.528 tors. eta vs tors. theta energy: -153.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1701.094828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.094828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.094828 (E_RNA) where: Base-Base interactions energy: -1209.903 where: short stacking energy: -540.692 Base-Backbone interact. energy: -0.231 local terms energy: -490.960844 where: bonds (distance) C4'-P energy: -87.668 bonds (distance) P-C4' energy: -68.100 flat angles C4'-P-C4' energy: -108.154 flat angles P-C4'-P energy: -77.590 tors. eta vs tors. theta energy: -149.449 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: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1619.393300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.393300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.393300 (E_RNA) where: Base-Base interactions energy: -1159.370 where: short stacking energy: -525.888 Base-Backbone interact. energy: -0.263 local terms energy: -459.759945 where: bonds (distance) C4'-P energy: -72.051 bonds (distance) P-C4' energy: -83.703 flat angles C4'-P-C4' energy: -99.797 flat angles P-C4'-P energy: -61.410 tors. eta vs tors. theta energy: -142.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1574.865385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.865385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.865385 (E_RNA) where: Base-Base interactions energy: -1108.341 where: short stacking energy: -503.371 Base-Backbone interact. energy: -1.639 local terms energy: -464.884977 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -71.251 flat angles C4'-P-C4' energy: -93.502 flat angles P-C4'-P energy: -71.510 tors. eta vs tors. theta energy: -137.022 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: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1477.616438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.616438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.616438 (E_RNA) where: Base-Base interactions energy: -1051.071 where: short stacking energy: -477.643 Base-Backbone interact. energy: -1.846 local terms energy: -424.698945 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -76.947 flat angles C4'-P-C4' energy: -88.129 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -129.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1332.419207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.419207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.419207 (E_RNA) where: Base-Base interactions energy: -956.919 where: short stacking energy: -442.815 Base-Backbone interact. energy: -0.919 local terms energy: -374.580785 where: bonds (distance) C4'-P energy: -68.917 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -95.741 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: -106.846 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: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1167.721168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.721168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.721168 (E_RNA) where: Base-Base interactions energy: -807.513 where: short stacking energy: -412.680 Base-Backbone interact. energy: -0.726 local terms energy: -359.482481 where: bonds (distance) C4'-P energy: -65.047 bonds (distance) P-C4' energy: -66.150 flat angles C4'-P-C4' energy: -81.469 flat angles P-C4'-P energy: -54.858 tors. eta vs tors. theta energy: -91.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1954.718794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.718794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.718794 (E_RNA) where: Base-Base interactions energy: -1410.171 where: short stacking energy: -638.723 Base-Backbone interact. energy: 4.161 local terms energy: -548.709119 where: bonds (distance) C4'-P energy: -97.272 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -112.734 flat angles P-C4'-P energy: -80.420 tors. eta vs tors. theta energy: -162.971 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: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1869.767481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.767481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.767481 (E_RNA) where: Base-Base interactions energy: -1350.348 where: short stacking energy: -609.268 Base-Backbone interact. energy: -1.024 local terms energy: -518.394773 where: bonds (distance) C4'-P energy: -92.851 bonds (distance) P-C4' energy: -78.068 flat angles C4'-P-C4' energy: -108.304 flat angles P-C4'-P energy: -77.376 tors. eta vs tors. theta energy: -161.796 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1798.803971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.803971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.803971 (E_RNA) where: Base-Base interactions energy: -1266.766 where: short stacking energy: -569.833 Base-Backbone interact. energy: -2.951 local terms energy: -529.086751 where: bonds (distance) C4'-P energy: -100.146 bonds (distance) P-C4' energy: -81.010 flat angles C4'-P-C4' energy: -107.799 flat angles P-C4'-P energy: -85.112 tors. eta vs tors. theta energy: -155.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1744.527388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.527388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.527388 (E_RNA) where: Base-Base interactions energy: -1245.465 where: short stacking energy: -572.331 Base-Backbone interact. energy: -1.946 local terms energy: -497.116599 where: bonds (distance) C4'-P energy: -88.341 bonds (distance) P-C4' energy: -85.141 flat angles C4'-P-C4' energy: -108.673 flat angles P-C4'-P energy: -64.467 tors. eta vs tors. theta energy: -150.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1700.490032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.490032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.490032 (E_RNA) where: Base-Base interactions energy: -1214.004 where: short stacking energy: -533.822 Base-Backbone interact. energy: 0.494 local terms energy: -486.980875 where: bonds (distance) C4'-P energy: -80.590 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -97.078 flat angles P-C4'-P energy: -71.841 tors. eta vs tors. theta energy: -140.481 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: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1656.359906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.359906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.359906 (E_RNA) where: Base-Base interactions energy: -1188.664 where: short stacking energy: -579.771 Base-Backbone interact. energy: -0.125 local terms energy: -467.570730 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -108.707 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: -149.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1603.716884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.716884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.716884 (E_RNA) where: Base-Base interactions energy: -1144.658 where: short stacking energy: -519.470 Base-Backbone interact. energy: -2.403 local terms energy: -456.655887 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -88.193 flat angles C4'-P-C4' energy: -92.075 flat angles P-C4'-P energy: -62.453 tors. eta vs tors. theta energy: -135.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1477.807342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.807342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.807342 (E_RNA) where: Base-Base interactions energy: -1056.596 where: short stacking energy: -475.134 Base-Backbone interact. energy: -0.784 local terms energy: -420.427980 where: bonds (distance) C4'-P energy: -83.582 bonds (distance) P-C4' energy: -63.182 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -58.018 tors. eta vs tors. theta energy: -127.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1336.026605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.026605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.026605 (E_RNA) where: Base-Base interactions energy: -936.536 where: short stacking energy: -428.177 Base-Backbone interact. energy: 0.580 local terms energy: -400.070892 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -90.587 flat angles C4'-P-C4' energy: -87.843 flat angles P-C4'-P energy: -56.295 tors. eta vs tors. theta energy: -101.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1158.731711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.731711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.731711 (E_RNA) where: Base-Base interactions energy: -823.851 where: short stacking energy: -379.629 Base-Backbone interact. energy: 1.061 local terms energy: -335.941693 where: bonds (distance) C4'-P energy: -56.689 bonds (distance) P-C4' energy: -75.646 flat angles C4'-P-C4' energy: -83.108 flat angles P-C4'-P energy: -38.589 tors. eta vs tors. theta energy: -81.911 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: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1946.624837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.624837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.624837 (E_RNA) where: Base-Base interactions energy: -1386.668 where: short stacking energy: -648.499 Base-Backbone interact. energy: -1.370 local terms energy: -558.586389 where: bonds (distance) C4'-P energy: -84.469 bonds (distance) P-C4' energy: -102.672 flat angles C4'-P-C4' energy: -117.259 flat angles P-C4'-P energy: -82.377 tors. eta vs tors. theta energy: -171.810 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: 237 Temperature: 0.950000 Total energy: -1881.929630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.929630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.929630 (E_RNA) where: Base-Base interactions energy: -1339.386 where: short stacking energy: -596.802 Base-Backbone interact. energy: -3.682 local terms energy: -538.861104 where: bonds (distance) C4'-P energy: -97.119 bonds (distance) P-C4' energy: -90.434 flat angles C4'-P-C4' energy: -109.099 flat angles P-C4'-P energy: -73.964 tors. eta vs tors. theta energy: -168.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1817.931962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.931962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.931962 (E_RNA) where: Base-Base interactions energy: -1303.118 where: short stacking energy: -589.222 Base-Backbone interact. energy: -2.490 local terms energy: -512.324414 where: bonds (distance) C4'-P energy: -91.620 bonds (distance) P-C4' energy: -89.314 flat angles C4'-P-C4' energy: -103.113 flat angles P-C4'-P energy: -68.312 tors. eta vs tors. theta energy: -159.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1730.581217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.581217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.581217 (E_RNA) where: Base-Base interactions energy: -1252.697 where: short stacking energy: -553.559 Base-Backbone interact. energy: 4.194 local terms energy: -482.078210 where: bonds (distance) C4'-P energy: -93.165 bonds (distance) P-C4' energy: -94.224 flat angles C4'-P-C4' energy: -94.655 flat angles P-C4'-P energy: -59.759 tors. eta vs tors. theta energy: -140.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1707.409478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.409478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.409478 (E_RNA) where: Base-Base interactions energy: -1217.974 where: short stacking energy: -558.682 Base-Backbone interact. energy: -2.277 local terms energy: -487.158069 where: bonds (distance) C4'-P energy: -83.493 bonds (distance) P-C4' energy: -70.120 flat angles C4'-P-C4' energy: -108.722 flat angles P-C4'-P energy: -71.489 tors. eta vs tors. theta energy: -153.334 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: 237 Temperature: 1.150000 Total energy: -1629.499346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.499346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.499346 (E_RNA) where: Base-Base interactions energy: -1149.941 where: short stacking energy: -529.476 Base-Backbone interact. energy: -0.965 local terms energy: -478.593690 where: bonds (distance) C4'-P energy: -84.301 bonds (distance) P-C4' energy: -97.996 flat angles C4'-P-C4' energy: -95.284 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -140.543 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: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1626.519231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.519231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.519231 (E_RNA) where: Base-Base interactions energy: -1161.072 where: short stacking energy: -537.334 Base-Backbone interact. energy: -0.933 local terms energy: -464.513927 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -85.755 flat angles C4'-P-C4' energy: -97.731 flat angles P-C4'-P energy: -63.515 tors. eta vs tors. theta energy: -140.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1525.060716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.060716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.060716 (E_RNA) where: Base-Base interactions energy: -1090.058 where: short stacking energy: -494.550 Base-Backbone interact. energy: -1.786 local terms energy: -433.216582 where: bonds (distance) C4'-P energy: -77.973 bonds (distance) P-C4' energy: -78.162 flat angles C4'-P-C4' energy: -96.219 flat angles P-C4'-P energy: -39.381 tors. eta vs tors. theta energy: -141.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1325.481689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.481689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.481689 (E_RNA) where: Base-Base interactions energy: -931.262 where: short stacking energy: -424.379 Base-Backbone interact. energy: -0.909 local terms energy: -393.310150 where: bonds (distance) C4'-P energy: -78.802 bonds (distance) P-C4' energy: -80.018 flat angles C4'-P-C4' energy: -76.593 flat angles P-C4'-P energy: -51.424 tors. eta vs tors. theta energy: -106.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1193.853831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.853831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.853831 (E_RNA) where: Base-Base interactions energy: -851.079 where: short stacking energy: -385.908 Base-Backbone interact. energy: 0.611 local terms energy: -343.386293 where: bonds (distance) C4'-P energy: -68.886 bonds (distance) P-C4' energy: -69.150 flat angles C4'-P-C4' energy: -70.972 flat angles P-C4'-P energy: -44.511 tors. eta vs tors. theta energy: -89.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1945.953417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.953417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.953417 (E_RNA) where: Base-Base interactions energy: -1399.145 where: short stacking energy: -646.131 Base-Backbone interact. energy: -1.995 local terms energy: -544.813417 where: bonds (distance) C4'-P energy: -91.423 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -115.954 flat angles P-C4'-P energy: -76.648 tors. eta vs tors. theta energy: -167.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1891.241113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.241113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.241113 (E_RNA) where: Base-Base interactions energy: -1367.918 where: short stacking energy: -613.898 Base-Backbone interact. energy: -0.709 local terms energy: -522.614236 where: bonds (distance) C4'-P energy: -83.239 bonds (distance) P-C4' energy: -100.829 flat angles C4'-P-C4' energy: -101.386 flat angles P-C4'-P energy: -74.900 tors. eta vs tors. theta energy: -162.260 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: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1813.692927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.692927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.692927 (E_RNA) where: Base-Base interactions energy: -1285.950 where: short stacking energy: -580.647 Base-Backbone interact. energy: -1.345 local terms energy: -526.398030 where: bonds (distance) C4'-P energy: -82.025 bonds (distance) P-C4' energy: -95.348 flat angles C4'-P-C4' energy: -108.003 flat angles P-C4'-P energy: -78.833 tors. eta vs tors. theta energy: -162.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1726.175389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.175389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.175389 (E_RNA) where: Base-Base interactions energy: -1232.730 where: short stacking energy: -551.880 Base-Backbone interact. energy: -2.622 local terms energy: -490.823196 where: bonds (distance) C4'-P energy: -92.975 bonds (distance) P-C4' energy: -83.746 flat angles C4'-P-C4' energy: -103.398 flat angles P-C4'-P energy: -64.027 tors. eta vs tors. theta energy: -146.676 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: 238 Temperature: 1.100000 Total energy: -1661.156181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.156181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.156181 (E_RNA) where: Base-Base interactions energy: -1186.177 where: short stacking energy: -553.576 Base-Backbone interact. energy: -0.998 local terms energy: -473.981914 where: bonds (distance) C4'-P energy: -80.048 bonds (distance) P-C4' energy: -81.884 flat angles C4'-P-C4' energy: -102.662 flat angles P-C4'-P energy: -65.763 tors. eta vs tors. theta energy: -143.625 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: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1676.762323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.762323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.762323 (E_RNA) where: Base-Base interactions energy: -1203.629 where: short stacking energy: -555.323 Base-Backbone interact. energy: -1.282 local terms energy: -471.851640 where: bonds (distance) C4'-P energy: -90.063 bonds (distance) P-C4' energy: -79.506 flat angles C4'-P-C4' energy: -94.478 flat angles P-C4'-P energy: -67.870 tors. eta vs tors. theta energy: -139.934 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: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1568.791486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.791486 (E_RNA) where: Base-Base interactions energy: -1136.961 where: short stacking energy: -504.911 Base-Backbone interact. energy: -1.895 local terms energy: -429.935948 where: bonds (distance) C4'-P energy: -73.407 bonds (distance) P-C4' energy: -77.596 flat angles C4'-P-C4' energy: -92.909 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: -134.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1556.260561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.260561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.260561 (E_RNA) where: Base-Base interactions energy: -1141.245 where: short stacking energy: -547.834 Base-Backbone interact. energy: -2.664 local terms energy: -412.352146 where: bonds (distance) C4'-P energy: -55.523 bonds (distance) P-C4' energy: -72.125 flat angles C4'-P-C4' energy: -92.107 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -139.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1325.627408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.627408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.627408 (E_RNA) where: Base-Base interactions energy: -946.034 where: short stacking energy: -442.049 Base-Backbone interact. energy: -1.496 local terms energy: -378.097850 where: bonds (distance) C4'-P energy: -66.060 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -75.334 flat angles P-C4'-P energy: -46.080 tors. eta vs tors. theta energy: -112.644 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: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1197.287861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.287861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.287861 (E_RNA) where: Base-Base interactions energy: -812.936 where: short stacking energy: -388.379 Base-Backbone interact. energy: 2.575 local terms energy: -386.926491 where: bonds (distance) C4'-P energy: -78.339 bonds (distance) P-C4' energy: -77.178 flat angles C4'-P-C4' energy: -71.578 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -99.838 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: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1936.436747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.436747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.436747 (E_RNA) where: Base-Base interactions energy: -1390.879 where: short stacking energy: -636.955 Base-Backbone interact. energy: -2.680 local terms energy: -542.878128 where: bonds (distance) C4'-P energy: -82.533 bonds (distance) P-C4' energy: -100.315 flat angles C4'-P-C4' energy: -117.608 flat angles P-C4'-P energy: -70.585 tors. eta vs tors. theta energy: -171.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1901.856769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.856769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.856769 (E_RNA) where: Base-Base interactions energy: -1390.929 where: short stacking energy: -619.955 Base-Backbone interact. energy: 1.395 local terms energy: -512.322105 where: bonds (distance) C4'-P energy: -84.018 bonds (distance) P-C4' energy: -79.492 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -73.548 tors. eta vs tors. theta energy: -164.025 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: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1838.236650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.236650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.236650 (E_RNA) where: Base-Base interactions energy: -1303.833 where: short stacking energy: -588.744 Base-Backbone interact. energy: -1.926 local terms energy: -532.478346 where: bonds (distance) C4'-P energy: -97.940 bonds (distance) P-C4' energy: -86.225 flat angles C4'-P-C4' energy: -111.547 flat angles P-C4'-P energy: -79.713 tors. eta vs tors. theta energy: -157.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1677.898974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.898974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.898974 (E_RNA) where: Base-Base interactions energy: -1178.890 where: short stacking energy: -558.322 Base-Backbone interact. energy: -0.443 local terms energy: -498.565651 where: bonds (distance) C4'-P energy: -92.890 bonds (distance) P-C4' energy: -84.664 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -62.365 tors. eta vs tors. theta energy: -148.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1685.242478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.242478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.242478 (E_RNA) where: Base-Base interactions energy: -1211.716 where: short stacking energy: -569.149 Base-Backbone interact. energy: -0.572 local terms energy: -472.954440 where: bonds (distance) C4'-P energy: -76.857 bonds (distance) P-C4' energy: -83.644 flat angles C4'-P-C4' energy: -103.630 flat angles P-C4'-P energy: -66.094 tors. eta vs tors. theta energy: -142.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1671.602916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.602916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.602916 (E_RNA) where: Base-Base interactions energy: -1188.350 where: short stacking energy: -550.993 Base-Backbone interact. energy: -2.440 local terms energy: -480.812969 where: bonds (distance) C4'-P energy: -84.280 bonds (distance) P-C4' energy: -78.783 flat angles C4'-P-C4' energy: -104.658 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -140.239 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: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1647.497281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.497281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.497281 (E_RNA) where: Base-Base interactions energy: -1177.815 where: short stacking energy: -543.724 Base-Backbone interact. energy: -0.537 local terms energy: -469.145210 where: bonds (distance) C4'-P energy: -73.779 bonds (distance) P-C4' energy: -79.026 flat angles C4'-P-C4' energy: -106.432 flat angles P-C4'-P energy: -64.154 tors. eta vs tors. theta energy: -145.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1542.181445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.181445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.181445 (E_RNA) where: Base-Base interactions energy: -1107.482 where: short stacking energy: -515.655 Base-Backbone interact. energy: -0.678 local terms energy: -434.022130 where: bonds (distance) C4'-P energy: -74.953 bonds (distance) P-C4' energy: -63.186 flat angles C4'-P-C4' energy: -93.339 flat angles P-C4'-P energy: -68.083 tors. eta vs tors. theta energy: -134.461 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: 239 Temperature: 1.300000 Total energy: -1305.214024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.214024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.214024 (E_RNA) where: Base-Base interactions energy: -909.898 where: short stacking energy: -423.036 Base-Backbone interact. energy: -0.376 local terms energy: -394.939469 where: bonds (distance) C4'-P energy: -64.576 bonds (distance) P-C4' energy: -72.011 flat angles C4'-P-C4' energy: -95.135 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -111.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1215.140869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.140869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.140869 (E_RNA) where: Base-Base interactions energy: -844.241 where: short stacking energy: -398.062 Base-Backbone interact. energy: -2.199 local terms energy: -368.700531 where: bonds (distance) C4'-P energy: -45.718 bonds (distance) P-C4' energy: -91.328 flat angles C4'-P-C4' energy: -79.046 flat angles P-C4'-P energy: -60.396 tors. eta vs tors. theta energy: -92.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1936.604652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.604652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.604652 (E_RNA) where: Base-Base interactions energy: -1378.253 where: short stacking energy: -620.461 Base-Backbone interact. energy: -1.842 local terms energy: -556.510288 where: bonds (distance) C4'-P energy: -89.792 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -116.624 flat angles P-C4'-P energy: -82.249 tors. eta vs tors. theta energy: -171.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1877.796101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.796101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.796101 (E_RNA) where: Base-Base interactions energy: -1329.747 where: short stacking energy: -598.242 Base-Backbone interact. energy: -1.164 local terms energy: -546.884832 where: bonds (distance) C4'-P energy: -101.296 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -108.269 flat angles P-C4'-P energy: -79.207 tors. eta vs tors. theta energy: -164.365 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: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1844.599994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.599994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.599994 (E_RNA) where: Base-Base interactions energy: -1322.413 where: short stacking energy: -622.280 Base-Backbone interact. energy: -1.797 local terms energy: -520.389324 where: bonds (distance) C4'-P energy: -91.625 bonds (distance) P-C4' energy: -93.613 flat angles C4'-P-C4' energy: -107.469 flat angles P-C4'-P energy: -65.723 tors. eta vs tors. theta energy: -161.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1691.376158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.376158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.376158 (E_RNA) where: Base-Base interactions energy: -1195.956 where: short stacking energy: -575.140 Base-Backbone interact. energy: -2.271 local terms energy: -493.149175 where: bonds (distance) C4'-P energy: -91.194 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -106.533 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: -139.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1674.677912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.677912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.677912 (E_RNA) where: Base-Base interactions energy: -1218.665 where: short stacking energy: -553.836 Base-Backbone interact. energy: -1.145 local terms energy: -454.867483 where: bonds (distance) C4'-P energy: -83.359 bonds (distance) P-C4' energy: -67.346 flat angles C4'-P-C4' energy: -101.561 flat angles P-C4'-P energy: -57.632 tors. eta vs tors. theta energy: -144.969 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: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1653.428033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.428033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.428033 (E_RNA) where: Base-Base interactions energy: -1194.760 where: short stacking energy: -541.737 Base-Backbone interact. energy: -2.030 local terms energy: -456.638697 where: bonds (distance) C4'-P energy: -83.959 bonds (distance) P-C4' energy: -82.051 flat angles C4'-P-C4' energy: -86.006 flat angles P-C4'-P energy: -57.111 tors. eta vs tors. theta energy: -147.512 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: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1639.382203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.382203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.382203 (E_RNA) where: Base-Base interactions energy: -1174.379 where: short stacking energy: -508.819 Base-Backbone interact. energy: -1.009 local terms energy: -463.994380 where: bonds (distance) C4'-P energy: -72.248 bonds (distance) P-C4' energy: -89.014 flat angles C4'-P-C4' energy: -98.084 flat angles P-C4'-P energy: -67.646 tors. eta vs tors. theta energy: -137.002 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: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1548.246839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.246839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.246839 (E_RNA) where: Base-Base interactions energy: -1107.547 where: short stacking energy: -496.066 Base-Backbone interact. energy: -1.654 local terms energy: -439.045603 where: bonds (distance) C4'-P energy: -80.809 bonds (distance) P-C4' energy: -84.902 flat angles C4'-P-C4' energy: -78.523 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -139.216 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: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1308.543785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.543785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.543785 (E_RNA) where: Base-Base interactions energy: -887.752 where: short stacking energy: -421.152 Base-Backbone interact. energy: -0.598 local terms energy: -420.192955 where: bonds (distance) C4'-P energy: -86.631 bonds (distance) P-C4' energy: -81.075 flat angles C4'-P-C4' energy: -92.929 flat angles P-C4'-P energy: -57.010 tors. eta vs tors. theta energy: -102.547 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: 240 Temperature: 1.350000 Total energy: -1239.118089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.118089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.118089 (E_RNA) where: Base-Base interactions energy: -850.115 where: short stacking energy: -406.506 Base-Backbone interact. energy: 3.237 local terms energy: -392.239904 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -80.206 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -104.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1962.816879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.816879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.816879 (E_RNA) where: Base-Base interactions energy: -1394.049 where: short stacking energy: -621.025 Base-Backbone interact. energy: -2.416 local terms energy: -566.352103 where: bonds (distance) C4'-P energy: -98.075 bonds (distance) P-C4' energy: -100.154 flat angles C4'-P-C4' energy: -117.187 flat angles P-C4'-P energy: -76.592 tors. eta vs tors. theta energy: -174.345 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: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1877.550889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.550889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.550889 (E_RNA) where: Base-Base interactions energy: -1355.566 where: short stacking energy: -624.335 Base-Backbone interact. energy: -1.336 local terms energy: -520.648477 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -87.535 flat angles C4'-P-C4' energy: -107.439 flat angles P-C4'-P energy: -76.606 tors. eta vs tors. theta energy: -161.326 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: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1844.472832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.472832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.472832 (E_RNA) where: Base-Base interactions energy: -1332.815 where: short stacking energy: -595.508 Base-Backbone interact. energy: -1.161 local terms energy: -510.496424 where: bonds (distance) C4'-P energy: -89.611 bonds (distance) P-C4' energy: -86.198 flat angles C4'-P-C4' energy: -109.021 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -154.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1697.272903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.272903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.272903 (E_RNA) where: Base-Base interactions energy: -1215.898 where: short stacking energy: -555.089 Base-Backbone interact. energy: 0.678 local terms energy: -482.052675 where: bonds (distance) C4'-P energy: -79.659 bonds (distance) P-C4' energy: -75.967 flat angles C4'-P-C4' energy: -107.859 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -143.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1651.293251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.293251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.293251 (E_RNA) where: Base-Base interactions energy: -1201.255 where: short stacking energy: -501.775 Base-Backbone interact. energy: -0.778 local terms energy: -449.260286 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -89.904 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -131.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1674.027525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.027525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.027525 (E_RNA) where: Base-Base interactions energy: -1198.975 where: short stacking energy: -532.582 Base-Backbone interact. energy: -3.597 local terms energy: -471.455796 where: bonds (distance) C4'-P energy: -81.061 bonds (distance) P-C4' energy: -82.898 flat angles C4'-P-C4' energy: -102.521 flat angles P-C4'-P energy: -62.887 tors. eta vs tors. theta energy: -142.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1610.853864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.853864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.853864 (E_RNA) where: Base-Base interactions energy: -1163.328 where: short stacking energy: -518.974 Base-Backbone interact. energy: -0.613 local terms energy: -446.913001 where: bonds (distance) C4'-P energy: -77.545 bonds (distance) P-C4' energy: -71.852 flat angles C4'-P-C4' energy: -88.946 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -137.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1535.803328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.803328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.803328 (E_RNA) where: Base-Base interactions energy: -1114.480 where: short stacking energy: -517.682 Base-Backbone interact. energy: -1.734 local terms energy: -419.589235 where: bonds (distance) C4'-P energy: -74.153 bonds (distance) P-C4' energy: -69.578 flat angles C4'-P-C4' energy: -87.954 flat angles P-C4'-P energy: -55.008 tors. eta vs tors. theta energy: -132.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1318.160653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.160653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.160653 (E_RNA) where: Base-Base interactions energy: -891.702 where: short stacking energy: -427.355 Base-Backbone interact. energy: 1.472 local terms energy: -427.930538 where: bonds (distance) C4'-P energy: -78.336 bonds (distance) P-C4' energy: -80.443 flat angles C4'-P-C4' energy: -91.334 flat angles P-C4'-P energy: -62.808 tors. eta vs tors. theta energy: -115.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1210.015736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.015736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.015736 (E_RNA) where: Base-Base interactions energy: -851.496 where: short stacking energy: -397.098 Base-Backbone interact. energy: -0.571 local terms energy: -357.948974 where: bonds (distance) C4'-P energy: -71.770 bonds (distance) P-C4' energy: -57.284 flat angles C4'-P-C4' energy: -91.524 flat angles P-C4'-P energy: -45.453 tors. eta vs tors. theta energy: -91.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1963.648344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.648344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.648344 (E_RNA) where: Base-Base interactions energy: -1417.829 where: short stacking energy: -637.967 Base-Backbone interact. energy: -2.434 local terms energy: -543.385140 where: bonds (distance) C4'-P energy: -86.884 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -112.756 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -170.112 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1868.359436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.359436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.359436 (E_RNA) where: Base-Base interactions energy: -1330.002 where: short stacking energy: -602.893 Base-Backbone interact. energy: 0.710 local terms energy: -539.067792 where: bonds (distance) C4'-P energy: -84.483 bonds (distance) P-C4' energy: -96.098 flat angles C4'-P-C4' energy: -119.321 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -159.828 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: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1820.156686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.156686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.156686 (E_RNA) where: Base-Base interactions energy: -1318.353 where: short stacking energy: -610.641 Base-Backbone interact. energy: 0.347 local terms energy: -502.150713 where: bonds (distance) C4'-P energy: -79.542 bonds (distance) P-C4' energy: -86.578 flat angles C4'-P-C4' energy: -106.981 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -157.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1703.299112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.299112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.299112 (E_RNA) where: Base-Base interactions energy: -1214.217 where: short stacking energy: -565.999 Base-Backbone interact. energy: -0.645 local terms energy: -488.437134 where: bonds (distance) C4'-P energy: -80.152 bonds (distance) P-C4' energy: -81.229 flat angles C4'-P-C4' energy: -112.077 flat angles P-C4'-P energy: -67.868 tors. eta vs tors. theta energy: -147.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1692.531673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.531673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.531673 (E_RNA) where: Base-Base interactions energy: -1209.458 where: short stacking energy: -544.509 Base-Backbone interact. energy: 2.063 local terms energy: -485.136632 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -81.758 flat angles C4'-P-C4' energy: -106.009 flat angles P-C4'-P energy: -63.984 tors. eta vs tors. theta energy: -146.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1635.386968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.386968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.386968 (E_RNA) where: Base-Base interactions energy: -1169.962 where: short stacking energy: -501.732 Base-Backbone interact. energy: 2.147 local terms energy: -467.571986 where: bonds (distance) C4'-P energy: -83.768 bonds (distance) P-C4' energy: -81.199 flat angles C4'-P-C4' energy: -105.693 flat angles P-C4'-P energy: -61.673 tors. eta vs tors. theta energy: -135.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1603.110430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.110430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.110430 (E_RNA) where: Base-Base interactions energy: -1168.595 where: short stacking energy: -526.162 Base-Backbone interact. energy: -1.837 local terms energy: -432.678102 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -81.611 flat angles C4'-P-C4' energy: -97.107 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -142.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1542.100545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.100545 (E_RNA) where: Base-Base interactions energy: -1125.642 where: short stacking energy: -515.975 Base-Backbone interact. energy: -1.381 local terms energy: -415.077693 where: bonds (distance) C4'-P energy: -70.780 bonds (distance) P-C4' energy: -74.403 flat angles C4'-P-C4' energy: -80.850 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -142.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1301.628813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.628813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.628813 (E_RNA) where: Base-Base interactions energy: -896.853 where: short stacking energy: -436.210 Base-Backbone interact. energy: 0.363 local terms energy: -405.139062 where: bonds (distance) C4'-P energy: -79.272 bonds (distance) P-C4' energy: -78.021 flat angles C4'-P-C4' energy: -86.790 flat angles P-C4'-P energy: -53.071 tors. eta vs tors. theta energy: -107.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1217.896557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.896557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.896557 (E_RNA) where: Base-Base interactions energy: -860.268 where: short stacking energy: -419.061 Base-Backbone interact. energy: -1.555 local terms energy: -356.073894 where: bonds (distance) C4'-P energy: -76.722 bonds (distance) P-C4' energy: -60.314 flat angles C4'-P-C4' energy: -88.009 flat angles P-C4'-P energy: -33.212 tors. eta vs tors. theta energy: -97.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1945.915982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.915982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.915982 (E_RNA) where: Base-Base interactions energy: -1388.534 where: short stacking energy: -645.083 Base-Backbone interact. energy: -3.921 local terms energy: -553.460989 where: bonds (distance) C4'-P energy: -101.510 bonds (distance) P-C4' energy: -84.317 flat angles C4'-P-C4' energy: -117.041 flat angles P-C4'-P energy: -79.000 tors. eta vs tors. theta energy: -171.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1853.431999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.431999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.431999 (E_RNA) where: Base-Base interactions energy: -1308.517 where: short stacking energy: -600.155 Base-Backbone interact. energy: -3.306 local terms energy: -541.609423 where: bonds (distance) C4'-P energy: -93.401 bonds (distance) P-C4' energy: -101.701 flat angles C4'-P-C4' energy: -104.369 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -157.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1864.213610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.213610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.213610 (E_RNA) where: Base-Base interactions energy: -1329.854 where: short stacking energy: -603.339 Base-Backbone interact. energy: -0.735 local terms energy: -533.624139 where: bonds (distance) C4'-P energy: -84.905 bonds (distance) P-C4' energy: -88.753 flat angles C4'-P-C4' energy: -112.592 flat angles P-C4'-P energy: -83.114 tors. eta vs tors. theta energy: -164.260 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: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1755.079373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.079373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.079373 (E_RNA) where: Base-Base interactions energy: -1243.609 where: short stacking energy: -561.264 Base-Backbone interact. energy: -4.617 local terms energy: -506.853183 where: bonds (distance) C4'-P energy: -89.453 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -96.428 flat angles P-C4'-P energy: -73.622 tors. eta vs tors. theta energy: -152.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1655.441679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.441679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.441679 (E_RNA) where: Base-Base interactions energy: -1177.624 where: short stacking energy: -545.710 Base-Backbone interact. energy: -0.969 local terms energy: -476.849251 where: bonds (distance) C4'-P energy: -89.214 bonds (distance) P-C4' energy: -86.487 flat angles C4'-P-C4' energy: -103.691 flat angles P-C4'-P energy: -58.253 tors. eta vs tors. theta energy: -139.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1658.450583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.450583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.450583 (E_RNA) where: Base-Base interactions energy: -1191.695 where: short stacking energy: -546.914 Base-Backbone interact. energy: -0.284 local terms energy: -466.472566 where: bonds (distance) C4'-P energy: -68.838 bonds (distance) P-C4' energy: -98.438 flat angles C4'-P-C4' energy: -98.150 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -141.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1634.620590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.620590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.620590 (E_RNA) where: Base-Base interactions energy: -1191.519 where: short stacking energy: -523.763 Base-Backbone interact. energy: -1.930 local terms energy: -441.170955 where: bonds (distance) C4'-P energy: -83.645 bonds (distance) P-C4' energy: -59.939 flat angles C4'-P-C4' energy: -94.255 flat angles P-C4'-P energy: -58.314 tors. eta vs tors. theta energy: -145.018 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: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1498.118276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.118276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.118276 (E_RNA) where: Base-Base interactions energy: -1075.987 where: short stacking energy: -494.461 Base-Backbone interact. energy: 0.394 local terms energy: -422.525456 where: bonds (distance) C4'-P energy: -76.490 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -91.965 flat angles P-C4'-P energy: -58.200 tors. eta vs tors. theta energy: -124.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1299.405820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.405820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.405820 (E_RNA) where: Base-Base interactions energy: -909.775 where: short stacking energy: -441.658 Base-Backbone interact. energy: -1.390 local terms energy: -388.241150 where: bonds (distance) C4'-P energy: -69.384 bonds (distance) P-C4' energy: -67.907 flat angles C4'-P-C4' energy: -88.076 flat angles P-C4'-P energy: -47.263 tors. eta vs tors. theta energy: -115.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1280.426738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.426738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.426738 (E_RNA) where: Base-Base interactions energy: -905.208 where: short stacking energy: -421.742 Base-Backbone interact. energy: -2.752 local terms energy: -372.466118 where: bonds (distance) C4'-P energy: -73.561 bonds (distance) P-C4' energy: -69.819 flat angles C4'-P-C4' energy: -80.453 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -95.578 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: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1945.411235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.411235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.411235 (E_RNA) where: Base-Base interactions energy: -1395.377 where: short stacking energy: -647.075 Base-Backbone interact. energy: -1.309 local terms energy: -548.724731 where: bonds (distance) C4'-P energy: -95.295 bonds (distance) P-C4' energy: -102.381 flat angles C4'-P-C4' energy: -104.234 flat angles P-C4'-P energy: -79.055 tors. eta vs tors. theta energy: -167.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1855.134200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.134200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.134200 (E_RNA) where: Base-Base interactions energy: -1324.393 where: short stacking energy: -600.345 Base-Backbone interact. energy: -4.484 local terms energy: -526.257484 where: bonds (distance) C4'-P energy: -89.183 bonds (distance) P-C4' energy: -85.717 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -84.857 tors. eta vs tors. theta energy: -158.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1838.948090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.948090 (E_RNA) where: Base-Base interactions energy: -1323.656 where: short stacking energy: -618.137 Base-Backbone interact. energy: -0.788 local terms energy: -514.503773 where: bonds (distance) C4'-P energy: -85.204 bonds (distance) P-C4' energy: -87.162 flat angles C4'-P-C4' energy: -112.883 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: -160.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1737.663237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.663237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.663237 (E_RNA) where: Base-Base interactions energy: -1240.118 where: short stacking energy: -562.077 Base-Backbone interact. energy: 0.361 local terms energy: -497.906214 where: bonds (distance) C4'-P energy: -83.802 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -107.167 flat angles P-C4'-P energy: -71.834 tors. eta vs tors. theta energy: -143.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1706.855412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.855412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.855412 (E_RNA) where: Base-Base interactions energy: -1226.351 where: short stacking energy: -573.827 Base-Backbone interact. energy: -1.798 local terms energy: -478.706652 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -87.245 flat angles C4'-P-C4' energy: -99.612 flat angles P-C4'-P energy: -64.066 tors. eta vs tors. theta energy: -152.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1637.444127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.444127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.444127 (E_RNA) where: Base-Base interactions energy: -1171.696 where: short stacking energy: -531.011 Base-Backbone interact. energy: -0.577 local terms energy: -465.171514 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -80.184 flat angles C4'-P-C4' energy: -98.442 flat angles P-C4'-P energy: -56.615 tors. eta vs tors. theta energy: -145.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1634.120235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.120235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.120235 (E_RNA) where: Base-Base interactions energy: -1170.913 where: short stacking energy: -515.891 Base-Backbone interact. energy: -0.496 local terms energy: -462.711063 where: bonds (distance) C4'-P energy: -79.989 bonds (distance) P-C4' energy: -70.036 flat angles C4'-P-C4' energy: -99.479 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -142.208 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: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1496.043699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.043699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.043699 (E_RNA) where: Base-Base interactions energy: -1077.029 where: short stacking energy: -483.651 Base-Backbone interact. energy: -1.941 local terms energy: -417.073752 where: bonds (distance) C4'-P energy: -61.931 bonds (distance) P-C4' energy: -74.100 flat angles C4'-P-C4' energy: -104.486 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -127.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1337.810215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.810215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.810215 (E_RNA) where: Base-Base interactions energy: -946.279 where: short stacking energy: -448.312 Base-Backbone interact. energy: -1.276 local terms energy: -390.255679 where: bonds (distance) C4'-P energy: -66.995 bonds (distance) P-C4' energy: -76.053 flat angles C4'-P-C4' energy: -90.292 flat angles P-C4'-P energy: -46.864 tors. eta vs tors. theta energy: -110.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1192.082888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.082888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.082888 (E_RNA) where: Base-Base interactions energy: -821.601 where: short stacking energy: -396.778 Base-Backbone interact. energy: 0.310 local terms energy: -370.791548 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -75.903 flat angles C4'-P-C4' energy: -86.734 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -90.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1944.611324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.611324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.611324 (E_RNA) where: Base-Base interactions energy: -1382.864 where: short stacking energy: -630.220 Base-Backbone interact. energy: -2.621 local terms energy: -559.125971 where: bonds (distance) C4'-P energy: -88.252 bonds (distance) P-C4' energy: -97.427 flat angles C4'-P-C4' energy: -117.247 flat angles P-C4'-P energy: -84.983 tors. eta vs tors. theta energy: -171.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1862.022595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.022595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.022595 (E_RNA) where: Base-Base interactions energy: -1354.089 where: short stacking energy: -613.384 Base-Backbone interact. energy: -1.180 local terms energy: -506.753274 where: bonds (distance) C4'-P energy: -83.940 bonds (distance) P-C4' energy: -85.934 flat angles C4'-P-C4' energy: -104.091 flat angles P-C4'-P energy: -76.408 tors. eta vs tors. theta energy: -156.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1857.273339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.273339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.273339 (E_RNA) where: Base-Base interactions energy: -1351.824 where: short stacking energy: -619.146 Base-Backbone interact. energy: 0.781 local terms energy: -506.229670 where: bonds (distance) C4'-P energy: -83.805 bonds (distance) P-C4' energy: -84.835 flat angles C4'-P-C4' energy: -101.962 flat angles P-C4'-P energy: -79.936 tors. eta vs tors. theta energy: -155.692 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: 245 Temperature: 1.050000 Total energy: -1748.473820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.473820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.473820 (E_RNA) where: Base-Base interactions energy: -1239.529 where: short stacking energy: -552.878 Base-Backbone interact. energy: -1.617 local terms energy: -507.328125 where: bonds (distance) C4'-P energy: -87.947 bonds (distance) P-C4' energy: -98.248 flat angles C4'-P-C4' energy: -103.569 flat angles P-C4'-P energy: -72.425 tors. eta vs tors. theta energy: -145.138 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: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1680.574669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.574669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.574669 (E_RNA) where: Base-Base interactions energy: -1208.543 where: short stacking energy: -546.698 Base-Backbone interact. energy: -1.584 local terms energy: -470.447967 where: bonds (distance) C4'-P energy: -81.189 bonds (distance) P-C4' energy: -91.994 flat angles C4'-P-C4' energy: -98.058 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -149.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1654.851479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.851479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.851479 (E_RNA) where: Base-Base interactions energy: -1180.189 where: short stacking energy: -531.286 Base-Backbone interact. energy: -0.696 local terms energy: -473.966270 where: bonds (distance) C4'-P energy: -91.373 bonds (distance) P-C4' energy: -71.945 flat angles C4'-P-C4' energy: -96.959 flat angles P-C4'-P energy: -66.095 tors. eta vs tors. theta energy: -147.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1636.267223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.267223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.267223 (E_RNA) where: Base-Base interactions energy: -1173.010 where: short stacking energy: -527.524 Base-Backbone interact. energy: -2.350 local terms energy: -460.907681 where: bonds (distance) C4'-P energy: -81.546 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -88.479 flat angles P-C4'-P energy: -62.941 tors. eta vs tors. theta energy: -142.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1543.708723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.708723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.708723 (E_RNA) where: Base-Base interactions energy: -1117.892 where: short stacking energy: -491.645 Base-Backbone interact. energy: -3.159 local terms energy: -422.658410 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -80.940 flat angles C4'-P-C4' energy: -89.415 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: -134.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1305.898258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.898258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.898258 (E_RNA) where: Base-Base interactions energy: -936.370 where: short stacking energy: -436.326 Base-Backbone interact. energy: -0.019 local terms energy: -369.509008 where: bonds (distance) C4'-P energy: -69.661 bonds (distance) P-C4' energy: -69.183 flat angles C4'-P-C4' energy: -89.377 flat angles P-C4'-P energy: -51.162 tors. eta vs tors. theta energy: -90.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1183.636286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.636286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.636286 (E_RNA) where: Base-Base interactions energy: -799.771 where: short stacking energy: -386.529 Base-Backbone interact. energy: -2.562 local terms energy: -381.303877 where: bonds (distance) C4'-P energy: -73.205 bonds (distance) P-C4' energy: -75.252 flat angles C4'-P-C4' energy: -81.821 flat angles P-C4'-P energy: -54.515 tors. eta vs tors. theta energy: -96.510 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: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1926.411938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.411938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.411938 (E_RNA) where: Base-Base interactions energy: -1386.204 where: short stacking energy: -622.573 Base-Backbone interact. energy: -1.658 local terms energy: -538.549615 where: bonds (distance) C4'-P energy: -94.173 bonds (distance) P-C4' energy: -94.255 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -74.310 tors. eta vs tors. theta energy: -165.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1846.213098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.213098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.213098 (E_RNA) where: Base-Base interactions energy: -1315.393 where: short stacking energy: -604.813 Base-Backbone interact. energy: 3.153 local terms energy: -533.972966 where: bonds (distance) C4'-P energy: -96.204 bonds (distance) P-C4' energy: -96.126 flat angles C4'-P-C4' energy: -108.689 flat angles P-C4'-P energy: -71.772 tors. eta vs tors. theta energy: -161.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1848.589283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.589283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.589283 (E_RNA) where: Base-Base interactions energy: -1304.941 where: short stacking energy: -590.768 Base-Backbone interact. energy: 0.211 local terms energy: -543.859597 where: bonds (distance) C4'-P energy: -99.253 bonds (distance) P-C4' energy: -94.747 flat angles C4'-P-C4' energy: -117.594 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -157.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1747.822544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.822544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.822544 (E_RNA) where: Base-Base interactions energy: -1246.021 where: short stacking energy: -574.578 Base-Backbone interact. energy: -1.217 local terms energy: -500.584146 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -87.814 flat angles C4'-P-C4' energy: -101.255 flat angles P-C4'-P energy: -69.003 tors. eta vs tors. theta energy: -151.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1674.331815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.331815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.331815 (E_RNA) where: Base-Base interactions energy: -1189.941 where: short stacking energy: -553.157 Base-Backbone interact. energy: 0.681 local terms energy: -485.071466 where: bonds (distance) C4'-P energy: -81.257 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -98.092 flat angles P-C4'-P energy: -76.212 tors. eta vs tors. theta energy: -150.905 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: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1625.946232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.946232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.946232 (E_RNA) where: Base-Base interactions energy: -1165.312 where: short stacking energy: -536.837 Base-Backbone interact. energy: 0.177 local terms energy: -460.811196 where: bonds (distance) C4'-P energy: -90.494 bonds (distance) P-C4' energy: -76.852 flat angles C4'-P-C4' energy: -95.712 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -134.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1655.223350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.223350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.223350 (E_RNA) where: Base-Base interactions energy: -1193.784 where: short stacking energy: -539.107 Base-Backbone interact. energy: 1.243 local terms energy: -462.682180 where: bonds (distance) C4'-P energy: -77.789 bonds (distance) P-C4' energy: -90.119 flat angles C4'-P-C4' energy: -86.831 flat angles P-C4'-P energy: -65.097 tors. eta vs tors. theta energy: -142.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1518.703779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.703779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.703779 (E_RNA) where: Base-Base interactions energy: -1091.439 where: short stacking energy: -496.868 Base-Backbone interact. energy: -2.054 local terms energy: -425.210184 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -98.060 flat angles P-C4'-P energy: -56.218 tors. eta vs tors. theta energy: -135.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1368.416274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.416274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.416274 (E_RNA) where: Base-Base interactions energy: -945.359 where: short stacking energy: -451.469 Base-Backbone interact. energy: -0.140 local terms energy: -422.916720 where: bonds (distance) C4'-P energy: -82.292 bonds (distance) P-C4' energy: -93.199 flat angles C4'-P-C4' energy: -86.384 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -118.145 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: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1205.266145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.266145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.266145 (E_RNA) where: Base-Base interactions energy: -846.251 where: short stacking energy: -404.949 Base-Backbone interact. energy: 0.883 local terms energy: -359.898585 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -70.920 flat angles C4'-P-C4' energy: -75.516 flat angles P-C4'-P energy: -55.576 tors. eta vs tors. theta energy: -98.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1931.845325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.845325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.845325 (E_RNA) where: Base-Base interactions energy: -1378.734 where: short stacking energy: -635.393 Base-Backbone interact. energy: -0.920 local terms energy: -552.190814 where: bonds (distance) C4'-P energy: -94.340 bonds (distance) P-C4' energy: -94.963 flat angles C4'-P-C4' energy: -117.828 flat angles P-C4'-P energy: -75.587 tors. eta vs tors. theta energy: -169.474 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: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1874.969837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.969837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.969837 (E_RNA) where: Base-Base interactions energy: -1347.203 where: short stacking energy: -609.739 Base-Backbone interact. energy: -1.035 local terms energy: -526.732496 where: bonds (distance) C4'-P energy: -97.354 bonds (distance) P-C4' energy: -85.543 flat angles C4'-P-C4' energy: -116.271 flat angles P-C4'-P energy: -71.488 tors. eta vs tors. theta energy: -156.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1815.879161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.879161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.879161 (E_RNA) where: Base-Base interactions energy: -1293.941 where: short stacking energy: -591.214 Base-Backbone interact. energy: -0.729 local terms energy: -521.209661 where: bonds (distance) C4'-P energy: -89.114 bonds (distance) P-C4' energy: -93.755 flat angles C4'-P-C4' energy: -113.066 flat angles P-C4'-P energy: -70.799 tors. eta vs tors. theta energy: -154.476 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: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1765.429730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.429730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.429730 (E_RNA) where: Base-Base interactions energy: -1279.175 where: short stacking energy: -566.009 Base-Backbone interact. energy: -1.842 local terms energy: -484.412635 where: bonds (distance) C4'-P energy: -79.027 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -64.325 tors. eta vs tors. theta energy: -156.582 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: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1719.284954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.284954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.284954 (E_RNA) where: Base-Base interactions energy: -1242.647 where: short stacking energy: -583.576 Base-Backbone interact. energy: -0.512 local terms energy: -476.126747 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -76.055 flat angles C4'-P-C4' energy: -103.297 flat angles P-C4'-P energy: -55.665 tors. eta vs tors. theta energy: -151.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1705.735160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.735160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.735160 (E_RNA) where: Base-Base interactions energy: -1246.749 where: short stacking energy: -555.900 Base-Backbone interact. energy: -4.479 local terms energy: -454.506615 where: bonds (distance) C4'-P energy: -77.977 bonds (distance) P-C4' energy: -71.938 flat angles C4'-P-C4' energy: -101.015 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: -139.584 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: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1614.568098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.568098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.568098 (E_RNA) where: Base-Base interactions energy: -1131.554 where: short stacking energy: -521.741 Base-Backbone interact. energy: -0.777 local terms energy: -482.237558 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -75.679 flat angles C4'-P-C4' energy: -101.492 flat angles P-C4'-P energy: -70.548 tors. eta vs tors. theta energy: -146.656 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: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1488.334548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.334548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.334548 (E_RNA) where: Base-Base interactions energy: -1046.526 where: short stacking energy: -496.253 Base-Backbone interact. energy: -1.349 local terms energy: -440.459228 where: bonds (distance) C4'-P energy: -78.855 bonds (distance) P-C4' energy: -80.665 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -125.623 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: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1370.502626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.502626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.502626 (E_RNA) where: Base-Base interactions energy: -973.599 where: short stacking energy: -451.033 Base-Backbone interact. energy: -0.938 local terms energy: -395.966368 where: bonds (distance) C4'-P energy: -71.000 bonds (distance) P-C4' energy: -66.369 flat angles C4'-P-C4' energy: -92.279 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -120.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1242.597212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.597212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.597212 (E_RNA) where: Base-Base interactions energy: -842.129 where: short stacking energy: -399.530 Base-Backbone interact. energy: -0.326 local terms energy: -400.142083 where: bonds (distance) C4'-P energy: -67.263 bonds (distance) P-C4' energy: -90.728 flat angles C4'-P-C4' energy: -81.933 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -110.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1939.563215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.563215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.563215 (E_RNA) where: Base-Base interactions energy: -1380.956 where: short stacking energy: -629.372 Base-Backbone interact. energy: -1.146 local terms energy: -557.460925 where: bonds (distance) C4'-P energy: -94.570 bonds (distance) P-C4' energy: -102.364 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -76.213 tors. eta vs tors. theta energy: -168.725 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: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1877.452682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.452682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.452682 (E_RNA) where: Base-Base interactions energy: -1335.887 where: short stacking energy: -590.650 Base-Backbone interact. energy: -3.249 local terms energy: -538.317144 where: bonds (distance) C4'-P energy: -84.731 bonds (distance) P-C4' energy: -97.354 flat angles C4'-P-C4' energy: -118.382 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -160.622 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: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1817.571025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.571025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.571025 (E_RNA) where: Base-Base interactions energy: -1312.469 where: short stacking energy: -580.497 Base-Backbone interact. energy: -1.472 local terms energy: -503.629986 where: bonds (distance) C4'-P energy: -80.435 bonds (distance) P-C4' energy: -89.126 flat angles C4'-P-C4' energy: -109.401 flat angles P-C4'-P energy: -66.851 tors. eta vs tors. theta energy: -157.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1735.445718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.445718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.445718 (E_RNA) where: Base-Base interactions energy: -1223.379 where: short stacking energy: -577.185 Base-Backbone interact. energy: -0.242 local terms energy: -511.824478 where: bonds (distance) C4'-P energy: -78.345 bonds (distance) P-C4' energy: -96.512 flat angles C4'-P-C4' energy: -106.619 flat angles P-C4'-P energy: -76.371 tors. eta vs tors. theta energy: -153.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1707.687033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.687033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.687033 (E_RNA) where: Base-Base interactions energy: -1236.694 where: short stacking energy: -537.665 Base-Backbone interact. energy: -1.917 local terms energy: -469.075947 where: bonds (distance) C4'-P energy: -90.989 bonds (distance) P-C4' energy: -78.248 flat angles C4'-P-C4' energy: -103.203 flat angles P-C4'-P energy: -55.779 tors. eta vs tors. theta energy: -140.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1644.462763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.462763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.462763 (E_RNA) where: Base-Base interactions energy: -1178.982 where: short stacking energy: -550.420 Base-Backbone interact. energy: 0.523 local terms energy: -466.003846 where: bonds (distance) C4'-P energy: -69.574 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: -139.103 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: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1634.444305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.444305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.444305 (E_RNA) where: Base-Base interactions energy: -1159.164 where: short stacking energy: -533.900 Base-Backbone interact. energy: -1.683 local terms energy: -473.596867 where: bonds (distance) C4'-P energy: -82.169 bonds (distance) P-C4' energy: -86.555 flat angles C4'-P-C4' energy: -108.666 flat angles P-C4'-P energy: -56.188 tors. eta vs tors. theta energy: -140.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1474.090019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.090019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.090019 (E_RNA) where: Base-Base interactions energy: -1065.597 where: short stacking energy: -469.153 Base-Backbone interact. energy: -1.045 local terms energy: -407.447108 where: bonds (distance) C4'-P energy: -66.648 bonds (distance) P-C4' energy: -73.270 flat angles C4'-P-C4' energy: -89.477 flat angles P-C4'-P energy: -58.287 tors. eta vs tors. theta energy: -119.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1374.510897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.510897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.510897 (E_RNA) where: Base-Base interactions energy: -995.376 where: short stacking energy: -441.947 Base-Backbone interact. energy: -0.307 local terms energy: -378.827450 where: bonds (distance) C4'-P energy: -51.525 bonds (distance) P-C4' energy: -73.402 flat angles C4'-P-C4' energy: -84.002 flat angles P-C4'-P energy: -53.427 tors. eta vs tors. theta energy: -116.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1147.729196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.729196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.729196 (E_RNA) where: Base-Base interactions energy: -769.530 where: short stacking energy: -381.629 Base-Backbone interact. energy: -1.818 local terms energy: -376.382148 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -77.122 flat angles C4'-P-C4' energy: -87.099 flat angles P-C4'-P energy: -56.221 tors. eta vs tors. theta energy: -90.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1943.930525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.930525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.930525 (E_RNA) where: Base-Base interactions energy: -1406.352 where: short stacking energy: -642.854 Base-Backbone interact. energy: -2.558 local terms energy: -535.019827 where: bonds (distance) C4'-P energy: -97.208 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -110.868 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -169.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1852.804541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.804541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.804541 (E_RNA) where: Base-Base interactions energy: -1323.848 where: short stacking energy: -604.835 Base-Backbone interact. energy: 0.940 local terms energy: -529.897440 where: bonds (distance) C4'-P energy: -93.803 bonds (distance) P-C4' energy: -97.059 flat angles C4'-P-C4' energy: -109.603 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: -159.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1862.866699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.866699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.866699 (E_RNA) where: Base-Base interactions energy: -1334.620 where: short stacking energy: -594.608 Base-Backbone interact. energy: -2.517 local terms energy: -525.730232 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -94.069 flat angles C4'-P-C4' energy: -105.230 flat angles P-C4'-P energy: -73.623 tors. eta vs tors. theta energy: -159.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1753.054748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.054748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.054748 (E_RNA) where: Base-Base interactions energy: -1269.218 where: short stacking energy: -545.826 Base-Backbone interact. energy: -1.739 local terms energy: -482.097862 where: bonds (distance) C4'-P energy: -86.132 bonds (distance) P-C4' energy: -86.536 flat angles C4'-P-C4' energy: -99.999 flat angles P-C4'-P energy: -63.265 tors. eta vs tors. theta energy: -146.166 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: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1704.131972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.131972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.131972 (E_RNA) where: Base-Base interactions energy: -1218.436 where: short stacking energy: -565.949 Base-Backbone interact. energy: -1.466 local terms energy: -484.230397 where: bonds (distance) C4'-P energy: -71.571 bonds (distance) P-C4' energy: -82.430 flat angles C4'-P-C4' energy: -105.754 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -147.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1677.055026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.055026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.055026 (E_RNA) where: Base-Base interactions energy: -1215.683 where: short stacking energy: -568.543 Base-Backbone interact. energy: -1.412 local terms energy: -459.959791 where: bonds (distance) C4'-P energy: -77.341 bonds (distance) P-C4' energy: -75.606 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -58.640 tors. eta vs tors. theta energy: -155.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1632.705858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.705858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.705858 (E_RNA) where: Base-Base interactions energy: -1181.491 where: short stacking energy: -543.730 Base-Backbone interact. energy: 0.108 local terms energy: -451.323090 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -78.957 flat angles C4'-P-C4' energy: -92.288 flat angles P-C4'-P energy: -59.993 tors. eta vs tors. theta energy: -149.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1468.546151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.546151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.546151 (E_RNA) where: Base-Base interactions energy: -1059.353 where: short stacking energy: -466.559 Base-Backbone interact. energy: -1.923 local terms energy: -407.270143 where: bonds (distance) C4'-P energy: -81.164 bonds (distance) P-C4' energy: -65.673 flat angles C4'-P-C4' energy: -80.674 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -128.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1393.820686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.820686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.820686 (E_RNA) where: Base-Base interactions energy: -1011.575 where: short stacking energy: -482.981 Base-Backbone interact. energy: 1.782 local terms energy: -384.028026 where: bonds (distance) C4'-P energy: -47.859 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -96.249 flat angles P-C4'-P energy: -57.816 tors. eta vs tors. theta energy: -113.492 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1134.200137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.200137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.200137 (E_RNA) where: Base-Base interactions energy: -765.056 where: short stacking energy: -355.382 Base-Backbone interact. energy: 1.156 local terms energy: -370.299789 where: bonds (distance) C4'-P energy: -78.613 bonds (distance) P-C4' energy: -83.457 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -42.738 tors. eta vs tors. theta energy: -72.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1963.404895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.404895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.404895 (E_RNA) where: Base-Base interactions energy: -1407.495 where: short stacking energy: -649.236 Base-Backbone interact. energy: -2.594 local terms energy: -553.315261 where: bonds (distance) C4'-P energy: -89.282 bonds (distance) P-C4' energy: -99.779 flat angles C4'-P-C4' energy: -117.810 flat angles P-C4'-P energy: -76.397 tors. eta vs tors. theta energy: -170.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1850.171066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.171066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.171066 (E_RNA) where: Base-Base interactions energy: -1323.295 where: short stacking energy: -592.901 Base-Backbone interact. energy: -2.940 local terms energy: -523.936171 where: bonds (distance) C4'-P energy: -88.322 bonds (distance) P-C4' energy: -93.226 flat angles C4'-P-C4' energy: -115.121 flat angles P-C4'-P energy: -71.374 tors. eta vs tors. theta energy: -155.893 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: 250 Temperature: 1.000000 Total energy: -1864.353332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.353332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.353332 (E_RNA) where: Base-Base interactions energy: -1335.912 where: short stacking energy: -584.298 Base-Backbone interact. energy: -3.699 local terms energy: -524.742110 where: bonds (distance) C4'-P energy: -74.534 bonds (distance) P-C4' energy: -98.117 flat angles C4'-P-C4' energy: -116.559 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -158.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1767.290302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.290302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.290302 (E_RNA) where: Base-Base interactions energy: -1292.040 where: short stacking energy: -542.134 Base-Backbone interact. energy: -2.291 local terms energy: -472.958923 where: bonds (distance) C4'-P energy: -68.236 bonds (distance) P-C4' energy: -75.974 flat angles C4'-P-C4' energy: -106.601 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -146.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1699.773367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.773367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.773367 (E_RNA) where: Base-Base interactions energy: -1188.236 where: short stacking energy: -536.479 Base-Backbone interact. energy: -1.583 local terms energy: -509.955024 where: bonds (distance) C4'-P energy: -104.076 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -64.195 tors. eta vs tors. theta energy: -143.187 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: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1647.356914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.356914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.356914 (E_RNA) where: Base-Base interactions energy: -1176.895 where: short stacking energy: -537.688 Base-Backbone interact. energy: -0.785 local terms energy: -469.677218 where: bonds (distance) C4'-P energy: -75.144 bonds (distance) P-C4' energy: -88.970 flat angles C4'-P-C4' energy: -100.086 flat angles P-C4'-P energy: -66.206 tors. eta vs tors. theta energy: -139.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1622.011996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.011996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.011996 (E_RNA) where: Base-Base interactions energy: -1155.421 where: short stacking energy: -543.564 Base-Backbone interact. energy: 0.694 local terms energy: -467.284599 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -108.793 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -137.757 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: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1503.744560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.744560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.744560 (E_RNA) where: Base-Base interactions energy: -1083.969 where: short stacking energy: -481.071 Base-Backbone interact. energy: 1.389 local terms energy: -421.164728 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -74.977 flat angles C4'-P-C4' energy: -88.641 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -128.729 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: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1396.604914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.604914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.604914 (E_RNA) where: Base-Base interactions energy: -998.534 where: short stacking energy: -449.836 Base-Backbone interact. energy: 0.951 local terms energy: -399.021912 where: bonds (distance) C4'-P energy: -69.268 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -82.552 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -126.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1140.246431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.246431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.246431 (E_RNA) where: Base-Base interactions energy: -787.847 where: short stacking energy: -384.180 Base-Backbone interact. energy: -0.144 local terms energy: -352.254695 where: bonds (distance) C4'-P energy: -70.130 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -83.496 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: -89.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1952.419973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.419973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.419973 (E_RNA) where: Base-Base interactions energy: -1397.692 where: short stacking energy: -640.948 Base-Backbone interact. energy: -0.699 local terms energy: -554.028982 where: bonds (distance) C4'-P energy: -83.847 bonds (distance) P-C4' energy: -95.983 flat angles C4'-P-C4' energy: -117.357 flat angles P-C4'-P energy: -89.808 tors. eta vs tors. theta energy: -167.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1896.578013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.578013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.578013 (E_RNA) where: Base-Base interactions energy: -1359.047 where: short stacking energy: -610.674 Base-Backbone interact. energy: -4.796 local terms energy: -532.735280 where: bonds (distance) C4'-P energy: -101.372 bonds (distance) P-C4' energy: -83.329 flat angles C4'-P-C4' energy: -109.164 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -162.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1812.823390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.823390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.823390 (E_RNA) where: Base-Base interactions energy: -1302.802 where: short stacking energy: -607.382 Base-Backbone interact. energy: -3.140 local terms energy: -506.881155 where: bonds (distance) C4'-P energy: -95.534 bonds (distance) P-C4' energy: -87.523 flat angles C4'-P-C4' energy: -107.409 flat angles P-C4'-P energy: -65.556 tors. eta vs tors. theta energy: -150.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1759.427995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.427995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.427995 (E_RNA) where: Base-Base interactions energy: -1251.247 where: short stacking energy: -557.479 Base-Backbone interact. energy: -3.859 local terms energy: -504.322463 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -91.377 flat angles C4'-P-C4' energy: -110.618 flat angles P-C4'-P energy: -62.120 tors. eta vs tors. theta energy: -144.484 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: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1704.504961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.504961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.504961 (E_RNA) where: Base-Base interactions energy: -1222.373 where: short stacking energy: -574.527 Base-Backbone interact. energy: -1.155 local terms energy: -480.977366 where: bonds (distance) C4'-P energy: -73.252 bonds (distance) P-C4' energy: -87.801 flat angles C4'-P-C4' energy: -105.660 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -154.950 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: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1652.307002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.307002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.307002 (E_RNA) where: Base-Base interactions energy: -1178.171 where: short stacking energy: -547.511 Base-Backbone interact. energy: -2.545 local terms energy: -471.591274 where: bonds (distance) C4'-P energy: -89.123 bonds (distance) P-C4' energy: -73.654 flat angles C4'-P-C4' energy: -98.802 flat angles P-C4'-P energy: -62.504 tors. eta vs tors. theta energy: -147.508 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1611.133007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.133007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.133007 (E_RNA) where: Base-Base interactions energy: -1164.539 where: short stacking energy: -556.604 Base-Backbone interact. energy: 0.234 local terms energy: -446.827807 where: bonds (distance) C4'-P energy: -76.045 bonds (distance) P-C4' energy: -63.236 flat angles C4'-P-C4' energy: -104.709 flat angles P-C4'-P energy: -63.263 tors. eta vs tors. theta energy: -139.575 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: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1487.431221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.431221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.431221 (E_RNA) where: Base-Base interactions energy: -1059.561 where: short stacking energy: -465.853 Base-Backbone interact. energy: 0.449 local terms energy: -428.318841 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -93.589 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -61.317 tors. eta vs tors. theta energy: -123.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1363.241259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.241259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.241259 (E_RNA) where: Base-Base interactions energy: -942.276 where: short stacking energy: -441.992 Base-Backbone interact. energy: -0.276 local terms energy: -420.689088 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -78.415 flat angles C4'-P-C4' energy: -95.457 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -118.246 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: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1192.909111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.909111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.909111 (E_RNA) where: Base-Base interactions energy: -811.388 where: short stacking energy: -400.379 Base-Backbone interact. energy: -1.309 local terms energy: -380.211646 where: bonds (distance) C4'-P energy: -62.444 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -60.880 tors. eta vs tors. theta energy: -90.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1927.464993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.464993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.464993 (E_RNA) where: Base-Base interactions energy: -1368.738 where: short stacking energy: -624.840 Base-Backbone interact. energy: -1.432 local terms energy: -557.294778 where: bonds (distance) C4'-P energy: -101.925 bonds (distance) P-C4' energy: -98.187 flat angles C4'-P-C4' energy: -112.813 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -165.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1866.994885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.994885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.994885 (E_RNA) where: Base-Base interactions energy: -1325.546 where: short stacking energy: -600.414 Base-Backbone interact. energy: 2.035 local terms energy: -543.484671 where: bonds (distance) C4'-P energy: -98.605 bonds (distance) P-C4' energy: -91.570 flat angles C4'-P-C4' energy: -116.674 flat angles P-C4'-P energy: -81.381 tors. eta vs tors. theta energy: -155.255 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: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1818.606945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.606945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.606945 (E_RNA) where: Base-Base interactions energy: -1312.806 where: short stacking energy: -585.974 Base-Backbone interact. energy: 0.385 local terms energy: -506.185990 where: bonds (distance) C4'-P energy: -84.013 bonds (distance) P-C4' energy: -87.269 flat angles C4'-P-C4' energy: -107.501 flat angles P-C4'-P energy: -72.113 tors. eta vs tors. theta energy: -155.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1757.006434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.006434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.006434 (E_RNA) where: Base-Base interactions energy: -1277.590 where: short stacking energy: -560.440 Base-Backbone interact. energy: -4.344 local terms energy: -475.071918 where: bonds (distance) C4'-P energy: -85.296 bonds (distance) P-C4' energy: -84.910 flat angles C4'-P-C4' energy: -104.095 flat angles P-C4'-P energy: -55.466 tors. eta vs tors. theta energy: -145.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1716.314579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.314579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.314579 (E_RNA) where: Base-Base interactions energy: -1234.153 where: short stacking energy: -556.205 Base-Backbone interact. energy: -1.706 local terms energy: -480.455276 where: bonds (distance) C4'-P energy: -66.713 bonds (distance) P-C4' energy: -87.251 flat angles C4'-P-C4' energy: -110.404 flat angles P-C4'-P energy: -69.654 tors. eta vs tors. theta energy: -146.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1641.827425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.827425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.827425 (E_RNA) where: Base-Base interactions energy: -1157.396 where: short stacking energy: -513.941 Base-Backbone interact. energy: -0.812 local terms energy: -483.619524 where: bonds (distance) C4'-P energy: -83.659 bonds (distance) P-C4' energy: -87.807 flat angles C4'-P-C4' energy: -106.058 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -140.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1590.296668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.296668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.296668 (E_RNA) where: Base-Base interactions energy: -1150.972 where: short stacking energy: -517.602 Base-Backbone interact. energy: -0.964 local terms energy: -438.361256 where: bonds (distance) C4'-P energy: -71.691 bonds (distance) P-C4' energy: -82.894 flat angles C4'-P-C4' energy: -86.006 flat angles P-C4'-P energy: -55.484 tors. eta vs tors. theta energy: -142.287 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: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1545.910338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.910338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.910338 (E_RNA) where: Base-Base interactions energy: -1097.426 where: short stacking energy: -489.976 Base-Backbone interact. energy: 0.985 local terms energy: -449.470151 where: bonds (distance) C4'-P energy: -71.301 bonds (distance) P-C4' energy: -93.716 flat angles C4'-P-C4' energy: -98.068 flat angles P-C4'-P energy: -53.863 tors. eta vs tors. theta energy: -132.522 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: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1336.170213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.170213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.170213 (E_RNA) where: Base-Base interactions energy: -924.056 where: short stacking energy: -417.699 Base-Backbone interact. energy: -1.212 local terms energy: -410.901507 where: bonds (distance) C4'-P energy: -87.350 bonds (distance) P-C4' energy: -86.819 flat angles C4'-P-C4' energy: -70.719 flat angles P-C4'-P energy: -64.682 tors. eta vs tors. theta energy: -101.332 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: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1191.181100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.181100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.181100 (E_RNA) where: Base-Base interactions energy: -825.840 where: short stacking energy: -355.974 Base-Backbone interact. energy: -1.822 local terms energy: -363.518514 where: bonds (distance) C4'-P energy: -61.259 bonds (distance) P-C4' energy: -82.704 flat angles C4'-P-C4' energy: -75.774 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: -89.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1933.837692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.837692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.837692 (E_RNA) where: Base-Base interactions energy: -1394.204 where: short stacking energy: -638.442 Base-Backbone interact. energy: -1.577 local terms energy: -538.055939 where: bonds (distance) C4'-P energy: -98.724 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -107.513 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -172.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1850.327350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.327350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.327350 (E_RNA) where: Base-Base interactions energy: -1323.988 where: short stacking energy: -581.452 Base-Backbone interact. energy: -2.889 local terms energy: -523.450306 where: bonds (distance) C4'-P energy: -96.902 bonds (distance) P-C4' energy: -94.728 flat angles C4'-P-C4' energy: -102.712 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: -162.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1821.312788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.312788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.312788 (E_RNA) where: Base-Base interactions energy: -1289.937 where: short stacking energy: -591.289 Base-Backbone interact. energy: 4.645 local terms energy: -536.021096 where: bonds (distance) C4'-P energy: -96.714 bonds (distance) P-C4' energy: -89.074 flat angles C4'-P-C4' energy: -110.811 flat angles P-C4'-P energy: -79.887 tors. eta vs tors. theta energy: -159.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1771.052712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.052712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.052712 (E_RNA) where: Base-Base interactions energy: -1297.342 where: short stacking energy: -562.894 Base-Backbone interact. energy: -1.762 local terms energy: -471.948514 where: bonds (distance) C4'-P energy: -78.356 bonds (distance) P-C4' energy: -75.809 flat angles C4'-P-C4' energy: -99.151 flat angles P-C4'-P energy: -70.630 tors. eta vs tors. theta energy: -148.003 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: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1693.475727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.475727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.475727 (E_RNA) where: Base-Base interactions energy: -1201.476 where: short stacking energy: -543.049 Base-Backbone interact. energy: -0.913 local terms energy: -491.086539 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -86.652 flat angles C4'-P-C4' energy: -102.689 flat angles P-C4'-P energy: -65.350 tors. eta vs tors. theta energy: -141.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1646.140962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.140962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.140962 (E_RNA) where: Base-Base interactions energy: -1182.181 where: short stacking energy: -540.004 Base-Backbone interact. energy: 0.362 local terms energy: -464.321470 where: bonds (distance) C4'-P energy: -91.586 bonds (distance) P-C4' energy: -83.748 flat angles C4'-P-C4' energy: -94.824 flat angles P-C4'-P energy: -62.396 tors. eta vs tors. theta energy: -131.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1612.931244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.931244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.931244 (E_RNA) where: Base-Base interactions energy: -1146.974 where: short stacking energy: -556.008 Base-Backbone interact. energy: 0.285 local terms energy: -466.242614 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -73.646 flat angles C4'-P-C4' energy: -104.155 flat angles P-C4'-P energy: -59.796 tors. eta vs tors. theta energy: -151.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1570.737934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.737934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.737934 (E_RNA) where: Base-Base interactions energy: -1123.246 where: short stacking energy: -509.500 Base-Backbone interact. energy: -2.559 local terms energy: -444.933760 where: bonds (distance) C4'-P energy: -81.158 bonds (distance) P-C4' energy: -67.735 flat angles C4'-P-C4' energy: -98.292 flat angles P-C4'-P energy: -62.750 tors. eta vs tors. theta energy: -134.999 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: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1400.597242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.597242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.597242 (E_RNA) where: Base-Base interactions energy: -978.884 where: short stacking energy: -455.198 Base-Backbone interact. energy: -3.286 local terms energy: -418.426662 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -83.628 flat angles C4'-P-C4' energy: -93.366 flat angles P-C4'-P energy: -59.711 tors. eta vs tors. theta energy: -110.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1258.701033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.701033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.701033 (E_RNA) where: Base-Base interactions energy: -862.256 where: short stacking energy: -398.220 Base-Backbone interact. energy: -1.258 local terms energy: -395.187366 where: bonds (distance) C4'-P energy: -72.051 bonds (distance) P-C4' energy: -91.288 flat angles C4'-P-C4' energy: -79.440 flat angles P-C4'-P energy: -56.171 tors. eta vs tors. theta energy: -96.238 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: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1925.843887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.843887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.843887 (E_RNA) where: Base-Base interactions energy: -1366.829 where: short stacking energy: -633.493 Base-Backbone interact. energy: -1.837 local terms energy: -557.178399 where: bonds (distance) C4'-P energy: -98.313 bonds (distance) P-C4' energy: -99.586 flat angles C4'-P-C4' energy: -112.537 flat angles P-C4'-P energy: -79.646 tors. eta vs tors. theta energy: -167.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1890.864904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.864904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.864904 (E_RNA) where: Base-Base interactions energy: -1342.989 where: short stacking energy: -607.617 Base-Backbone interact. energy: -1.776 local terms energy: -546.099881 where: bonds (distance) C4'-P energy: -95.362 bonds (distance) P-C4' energy: -97.751 flat angles C4'-P-C4' energy: -109.577 flat angles P-C4'-P energy: -76.383 tors. eta vs tors. theta energy: -167.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1815.097669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.097669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.097669 (E_RNA) where: Base-Base interactions energy: -1304.295 where: short stacking energy: -580.866 Base-Backbone interact. energy: 0.111 local terms energy: -510.913773 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -161.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1788.480386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.480386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.480386 (E_RNA) where: Base-Base interactions energy: -1305.778 where: short stacking energy: -570.420 Base-Backbone interact. energy: 0.005 local terms energy: -482.707268 where: bonds (distance) C4'-P energy: -84.726 bonds (distance) P-C4' energy: -79.417 flat angles C4'-P-C4' energy: -101.420 flat angles P-C4'-P energy: -68.761 tors. eta vs tors. theta energy: -148.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1703.760784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.760784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.760784 (E_RNA) where: Base-Base interactions energy: -1238.590 where: short stacking energy: -592.241 Base-Backbone interact. energy: -0.342 local terms energy: -464.828632 where: bonds (distance) C4'-P energy: -75.660 bonds (distance) P-C4' energy: -72.221 flat angles C4'-P-C4' energy: -107.340 flat angles P-C4'-P energy: -64.067 tors. eta vs tors. theta energy: -145.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1655.619294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.619294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.619294 (E_RNA) where: Base-Base interactions energy: -1165.908 where: short stacking energy: -525.435 Base-Backbone interact. energy: -2.394 local terms energy: -487.317471 where: bonds (distance) C4'-P energy: -74.937 bonds (distance) P-C4' energy: -98.579 flat angles C4'-P-C4' energy: -110.289 flat angles P-C4'-P energy: -67.970 tors. eta vs tors. theta energy: -135.543 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: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1576.821168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.821168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.821168 (E_RNA) where: Base-Base interactions energy: -1134.898 where: short stacking energy: -534.583 Base-Backbone interact. energy: 5.178 local terms energy: -447.101030 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -73.140 flat angles C4'-P-C4' energy: -99.301 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -138.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1559.514942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.514942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.514942 (E_RNA) where: Base-Base interactions energy: -1116.105 where: short stacking energy: -495.561 Base-Backbone interact. energy: -2.528 local terms energy: -440.882599 where: bonds (distance) C4'-P energy: -66.096 bonds (distance) P-C4' energy: -78.310 flat angles C4'-P-C4' energy: -104.285 flat angles P-C4'-P energy: -59.881 tors. eta vs tors. theta energy: -132.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1403.619525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.619525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.619525 (E_RNA) where: Base-Base interactions energy: -983.764 where: short stacking energy: -470.595 Base-Backbone interact. energy: 2.401 local terms energy: -422.255783 where: bonds (distance) C4'-P energy: -70.868 bonds (distance) P-C4' energy: -80.780 flat angles C4'-P-C4' energy: -92.880 flat angles P-C4'-P energy: -55.117 tors. eta vs tors. theta energy: -122.610 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: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1194.745882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.745882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.745882 (E_RNA) where: Base-Base interactions energy: -798.372 where: short stacking energy: -385.112 Base-Backbone interact. energy: 2.706 local terms energy: -399.080147 where: bonds (distance) C4'-P energy: -74.793 bonds (distance) P-C4' energy: -77.236 flat angles C4'-P-C4' energy: -82.876 flat angles P-C4'-P energy: -65.457 tors. eta vs tors. theta energy: -98.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1941.224783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.224783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.224783 (E_RNA) where: Base-Base interactions energy: -1385.769 where: short stacking energy: -649.122 Base-Backbone interact. energy: -0.285 local terms energy: -555.170865 where: bonds (distance) C4'-P energy: -93.955 bonds (distance) P-C4' energy: -92.605 flat angles C4'-P-C4' energy: -121.459 flat angles P-C4'-P energy: -79.454 tors. eta vs tors. theta energy: -167.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1872.644888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.644888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.644888 (E_RNA) where: Base-Base interactions energy: -1335.931 where: short stacking energy: -600.140 Base-Backbone interact. energy: -0.925 local terms energy: -535.789216 where: bonds (distance) C4'-P energy: -94.291 bonds (distance) P-C4' energy: -97.036 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -78.356 tors. eta vs tors. theta energy: -160.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1810.797484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.797484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.797484 (E_RNA) where: Base-Base interactions energy: -1310.804 where: short stacking energy: -595.690 Base-Backbone interact. energy: -2.157 local terms energy: -497.836522 where: bonds (distance) C4'-P energy: -82.548 bonds (distance) P-C4' energy: -89.278 flat angles C4'-P-C4' energy: -104.554 flat angles P-C4'-P energy: -63.861 tors. eta vs tors. theta energy: -157.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1785.421921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.421921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.421921 (E_RNA) where: Base-Base interactions energy: -1288.510 where: short stacking energy: -551.163 Base-Backbone interact. energy: -1.203 local terms energy: -495.708988 where: bonds (distance) C4'-P energy: -92.246 bonds (distance) P-C4' energy: -91.784 flat angles C4'-P-C4' energy: -102.306 flat angles P-C4'-P energy: -62.749 tors. eta vs tors. theta energy: -146.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1693.389551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.389551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.389551 (E_RNA) where: Base-Base interactions energy: -1207.236 where: short stacking energy: -570.207 Base-Backbone interact. energy: -1.462 local terms energy: -484.691162 where: bonds (distance) C4'-P energy: -86.587 bonds (distance) P-C4' energy: -85.979 flat angles C4'-P-C4' energy: -99.927 flat angles P-C4'-P energy: -68.065 tors. eta vs tors. theta energy: -144.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1646.419917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.419917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.419917 (E_RNA) where: Base-Base interactions energy: -1176.855 where: short stacking energy: -535.866 Base-Backbone interact. energy: -2.812 local terms energy: -466.752945 where: bonds (distance) C4'-P energy: -75.040 bonds (distance) P-C4' energy: -80.501 flat angles C4'-P-C4' energy: -103.890 flat angles P-C4'-P energy: -66.001 tors. eta vs tors. theta energy: -141.321 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1583.325714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.325714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.325714 (E_RNA) where: Base-Base interactions energy: -1120.469 where: short stacking energy: -529.850 Base-Backbone interact. energy: -1.153 local terms energy: -461.702904 where: bonds (distance) C4'-P energy: -63.296 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: -146.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1496.547949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.547949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.547949 (E_RNA) where: Base-Base interactions energy: -1060.206 where: short stacking energy: -463.670 Base-Backbone interact. energy: -1.388 local terms energy: -434.953115 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -77.991 flat angles C4'-P-C4' energy: -92.824 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -115.533 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: 255 Temperature: 1.300000 Total energy: -1382.108682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.108682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.108682 (E_RNA) where: Base-Base interactions energy: -970.813 where: short stacking energy: -464.154 Base-Backbone interact. energy: -1.309 local terms energy: -409.986411 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -77.227 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -58.461 tors. eta vs tors. theta energy: -121.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1122.140466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.140466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.140466 (E_RNA) where: Base-Base interactions energy: -775.979 where: short stacking energy: -377.753 Base-Backbone interact. energy: 3.388 local terms energy: -349.549679 where: bonds (distance) C4'-P energy: -69.024 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -79.629 flat angles P-C4'-P energy: -38.258 tors. eta vs tors. theta energy: -78.523 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: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1920.146527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.146527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.146527 (E_RNA) where: Base-Base interactions energy: -1366.326 where: short stacking energy: -631.607 Base-Backbone interact. energy: -0.702 local terms energy: -553.118726 where: bonds (distance) C4'-P energy: -96.801 bonds (distance) P-C4' energy: -100.784 flat angles C4'-P-C4' energy: -108.946 flat angles P-C4'-P energy: -74.607 tors. eta vs tors. theta energy: -171.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1885.279614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.279614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.279614 (E_RNA) where: Base-Base interactions energy: -1346.637 where: short stacking energy: -603.586 Base-Backbone interact. energy: 0.021 local terms energy: -538.663617 where: bonds (distance) C4'-P energy: -87.279 bonds (distance) P-C4' energy: -98.191 flat angles C4'-P-C4' energy: -110.942 flat angles P-C4'-P energy: -79.020 tors. eta vs tors. theta energy: -163.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1798.216346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.216346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.216346 (E_RNA) where: Base-Base interactions energy: -1279.073 where: short stacking energy: -577.329 Base-Backbone interact. energy: -2.792 local terms energy: -516.351972 where: bonds (distance) C4'-P energy: -98.946 bonds (distance) P-C4' energy: -83.596 flat angles C4'-P-C4' energy: -106.001 flat angles P-C4'-P energy: -77.517 tors. eta vs tors. theta energy: -150.292 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: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1764.900588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.900588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.900588 (E_RNA) where: Base-Base interactions energy: -1273.594 where: short stacking energy: -571.797 Base-Backbone interact. energy: -3.501 local terms energy: -487.805602 where: bonds (distance) C4'-P energy: -81.627 bonds (distance) P-C4' energy: -79.474 flat angles C4'-P-C4' energy: -107.208 flat angles P-C4'-P energy: -70.178 tors. eta vs tors. theta energy: -149.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1709.810793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.810793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.810793 (E_RNA) where: Base-Base interactions energy: -1226.338 where: short stacking energy: -557.000 Base-Backbone interact. energy: -1.588 local terms energy: -481.885368 where: bonds (distance) C4'-P energy: -67.431 bonds (distance) P-C4' energy: -93.270 flat angles C4'-P-C4' energy: -107.104 flat angles P-C4'-P energy: -71.367 tors. eta vs tors. theta energy: -142.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1642.836631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.836631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.836631 (E_RNA) where: Base-Base interactions energy: -1190.358 where: short stacking energy: -526.719 Base-Backbone interact. energy: -1.775 local terms energy: -450.703791 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -100.754 flat angles P-C4'-P energy: -59.901 tors. eta vs tors. theta energy: -144.458 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: 256 Temperature: 1.200000 Total energy: -1620.857756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.857756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.857756 (E_RNA) where: Base-Base interactions energy: -1161.977 where: short stacking energy: -530.100 Base-Backbone interact. energy: -1.902 local terms energy: -456.978613 where: bonds (distance) C4'-P energy: -81.566 bonds (distance) P-C4' energy: -84.634 flat angles C4'-P-C4' energy: -95.427 flat angles P-C4'-P energy: -57.869 tors. eta vs tors. theta energy: -137.484 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: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1547.317035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.317035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.317035 (E_RNA) where: Base-Base interactions energy: -1109.474 where: short stacking energy: -515.891 Base-Backbone interact. energy: 1.281 local terms energy: -439.124383 where: bonds (distance) C4'-P energy: -77.584 bonds (distance) P-C4' energy: -78.844 flat angles C4'-P-C4' energy: -82.736 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -145.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1399.560000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.560000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.560000 (E_RNA) where: Base-Base interactions energy: -987.938 where: short stacking energy: -465.311 Base-Backbone interact. energy: -1.229 local terms energy: -410.393046 where: bonds (distance) C4'-P energy: -68.545 bonds (distance) P-C4' energy: -68.623 flat angles C4'-P-C4' energy: -94.566 flat angles P-C4'-P energy: -66.135 tors. eta vs tors. theta energy: -112.524 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: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1096.263511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.263511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.263511 (E_RNA) where: Base-Base interactions energy: -755.411 where: short stacking energy: -355.696 Base-Backbone interact. energy: -0.273 local terms energy: -340.579399 where: bonds (distance) C4'-P energy: -70.094 bonds (distance) P-C4' energy: -72.516 flat angles C4'-P-C4' energy: -78.017 flat angles P-C4'-P energy: -40.162 tors. eta vs tors. theta energy: -79.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1951.787321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.787321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.787321 (E_RNA) where: Base-Base interactions energy: -1400.698 where: short stacking energy: -651.332 Base-Backbone interact. energy: -1.302 local terms energy: -549.787482 where: bonds (distance) C4'-P energy: -90.487 bonds (distance) P-C4' energy: -98.973 flat angles C4'-P-C4' energy: -118.246 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -164.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1871.043734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.043734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.043734 (E_RNA) where: Base-Base interactions energy: -1350.472 where: short stacking energy: -607.165 Base-Backbone interact. energy: -1.084 local terms energy: -519.488100 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -85.618 flat angles C4'-P-C4' energy: -111.489 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -163.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1829.223553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.223553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.223553 (E_RNA) where: Base-Base interactions energy: -1323.251 where: short stacking energy: -590.704 Base-Backbone interact. energy: -1.226 local terms energy: -504.746359 where: bonds (distance) C4'-P energy: -98.712 bonds (distance) P-C4' energy: -82.987 flat angles C4'-P-C4' energy: -99.666 flat angles P-C4'-P energy: -73.476 tors. eta vs tors. theta energy: -149.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1778.090364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.090364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.090364 (E_RNA) where: Base-Base interactions energy: -1276.586 where: short stacking energy: -580.701 Base-Backbone interact. energy: -1.555 local terms energy: -499.948852 where: bonds (distance) C4'-P energy: -91.700 bonds (distance) P-C4' energy: -82.132 flat angles C4'-P-C4' energy: -111.780 flat angles P-C4'-P energy: -60.401 tors. eta vs tors. theta energy: -153.936 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: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1716.165074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.165074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.165074 (E_RNA) where: Base-Base interactions energy: -1240.891 where: short stacking energy: -564.998 Base-Backbone interact. energy: 0.551 local terms energy: -475.825016 where: bonds (distance) C4'-P energy: -73.510 bonds (distance) P-C4' energy: -93.619 flat angles C4'-P-C4' energy: -92.913 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: -145.793 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: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1647.261512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.261512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.261512 (E_RNA) where: Base-Base interactions energy: -1157.711 where: short stacking energy: -526.075 Base-Backbone interact. energy: -2.834 local terms energy: -486.717022 where: bonds (distance) C4'-P energy: -82.421 bonds (distance) P-C4' energy: -87.432 flat angles C4'-P-C4' energy: -105.273 flat angles P-C4'-P energy: -66.758 tors. eta vs tors. theta energy: -144.833 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: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1613.742274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.742274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.742274 (E_RNA) where: Base-Base interactions energy: -1165.122 where: short stacking energy: -532.256 Base-Backbone interact. energy: -2.728 local terms energy: -445.892299 where: bonds (distance) C4'-P energy: -65.978 bonds (distance) P-C4' energy: -74.374 flat angles C4'-P-C4' energy: -98.259 flat angles P-C4'-P energy: -64.172 tors. eta vs tors. theta energy: -143.109 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: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1547.727252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.727252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.727252 (E_RNA) where: Base-Base interactions energy: -1120.012 where: short stacking energy: -494.113 Base-Backbone interact. energy: 1.202 local terms energy: -428.917763 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -79.980 flat angles C4'-P-C4' energy: -97.270 flat angles P-C4'-P energy: -52.720 tors. eta vs tors. theta energy: -134.903 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: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1398.336693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.336693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.336693 (E_RNA) where: Base-Base interactions energy: -977.199 where: short stacking energy: -468.384 Base-Backbone interact. energy: 0.078 local terms energy: -421.216178 where: bonds (distance) C4'-P energy: -91.901 bonds (distance) P-C4' energy: -71.067 flat angles C4'-P-C4' energy: -83.679 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -115.168 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: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1132.813661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.813661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.813661 (E_RNA) where: Base-Base interactions energy: -772.790 where: short stacking energy: -347.676 Base-Backbone interact. energy: -2.167 local terms energy: -357.856828 where: bonds (distance) C4'-P energy: -72.504 bonds (distance) P-C4' energy: -79.359 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -90.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1939.718456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.718456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.718456 (E_RNA) where: Base-Base interactions energy: -1401.645 where: short stacking energy: -645.820 Base-Backbone interact. energy: -0.513 local terms energy: -537.560647 where: bonds (distance) C4'-P energy: -92.420 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -113.625 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -165.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1881.061562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.061562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.061562 (E_RNA) where: Base-Base interactions energy: -1350.895 where: short stacking energy: -626.003 Base-Backbone interact. energy: -2.161 local terms energy: -528.005467 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -85.985 flat angles C4'-P-C4' energy: -112.335 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -169.501 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: 258 Temperature: 1.000000 Total energy: -1813.555561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.555561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.555561 (E_RNA) where: Base-Base interactions energy: -1298.176 where: short stacking energy: -600.933 Base-Backbone interact. energy: -1.082 local terms energy: -514.297494 where: bonds (distance) C4'-P energy: -86.292 bonds (distance) P-C4' energy: -105.674 flat angles C4'-P-C4' energy: -107.335 flat angles P-C4'-P energy: -63.336 tors. eta vs tors. theta energy: -151.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1784.379351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.379351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.379351 (E_RNA) where: Base-Base interactions energy: -1270.843 where: short stacking energy: -565.214 Base-Backbone interact. energy: -1.636 local terms energy: -511.900145 where: bonds (distance) C4'-P energy: -84.447 bonds (distance) P-C4' energy: -99.401 flat angles C4'-P-C4' energy: -98.860 flat angles P-C4'-P energy: -72.596 tors. eta vs tors. theta energy: -156.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1705.886246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.886246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.886246 (E_RNA) where: Base-Base interactions energy: -1214.921 where: short stacking energy: -549.935 Base-Backbone interact. energy: -0.366 local terms energy: -490.598840 where: bonds (distance) C4'-P energy: -87.186 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -109.484 flat angles P-C4'-P energy: -69.246 tors. eta vs tors. theta energy: -149.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1635.083322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.083322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.083322 (E_RNA) where: Base-Base interactions energy: -1185.879 where: short stacking energy: -554.080 Base-Backbone interact. energy: 0.924 local terms energy: -450.128351 where: bonds (distance) C4'-P energy: -56.855 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -104.185 flat angles P-C4'-P energy: -60.405 tors. eta vs tors. theta energy: -153.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1645.101224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.101224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.101224 (E_RNA) where: Base-Base interactions energy: -1178.172 where: short stacking energy: -549.842 Base-Backbone interact. energy: -2.647 local terms energy: -464.282224 where: bonds (distance) C4'-P energy: -80.336 bonds (distance) P-C4' energy: -77.871 flat angles C4'-P-C4' energy: -95.964 flat angles P-C4'-P energy: -54.509 tors. eta vs tors. theta energy: -155.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1571.620591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.620591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.620591 (E_RNA) where: Base-Base interactions energy: -1136.575 where: short stacking energy: -510.205 Base-Backbone interact. energy: 3.286 local terms energy: -438.331418 where: bonds (distance) C4'-P energy: -73.717 bonds (distance) P-C4' energy: -82.001 flat angles C4'-P-C4' energy: -89.039 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -143.201 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: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1342.614960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.614960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.614960 (E_RNA) where: Base-Base interactions energy: -934.622 where: short stacking energy: -426.466 Base-Backbone interact. energy: -0.952 local terms energy: -407.041586 where: bonds (distance) C4'-P energy: -77.743 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -86.015 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -106.045 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: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1136.921543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.921543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.921543 (E_RNA) where: Base-Base interactions energy: -789.495 where: short stacking energy: -372.997 Base-Backbone interact. energy: 2.900 local terms energy: -350.327023 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -49.054 flat angles C4'-P-C4' energy: -88.933 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -83.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1929.237451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.237451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.237451 (E_RNA) where: Base-Base interactions energy: -1371.094 where: short stacking energy: -632.793 Base-Backbone interact. energy: 0.834 local terms energy: -558.977604 where: bonds (distance) C4'-P energy: -91.765 bonds (distance) P-C4' energy: -93.111 flat angles C4'-P-C4' energy: -118.681 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -168.873 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: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1885.158812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.158812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.158812 (E_RNA) where: Base-Base interactions energy: -1346.964 where: short stacking energy: -611.146 Base-Backbone interact. energy: -1.768 local terms energy: -536.427230 where: bonds (distance) C4'-P energy: -93.455 bonds (distance) P-C4' energy: -92.120 flat angles C4'-P-C4' energy: -113.682 flat angles P-C4'-P energy: -76.768 tors. eta vs tors. theta energy: -160.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1805.634718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.634718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.634718 (E_RNA) where: Base-Base interactions energy: -1314.471 where: short stacking energy: -579.286 Base-Backbone interact. energy: -1.475 local terms energy: -489.689325 where: bonds (distance) C4'-P energy: -76.921 bonds (distance) P-C4' energy: -84.280 flat angles C4'-P-C4' energy: -105.716 flat angles P-C4'-P energy: -72.634 tors. eta vs tors. theta energy: -150.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1788.605939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.605939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.605939 (E_RNA) where: Base-Base interactions energy: -1272.919 where: short stacking energy: -593.500 Base-Backbone interact. energy: -2.789 local terms energy: -512.897667 where: bonds (distance) C4'-P energy: -88.828 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -101.898 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -156.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1719.896471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.896471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.896471 (E_RNA) where: Base-Base interactions energy: -1245.048 where: short stacking energy: -542.887 Base-Backbone interact. energy: -0.931 local terms energy: -473.917245 where: bonds (distance) C4'-P energy: -76.510 bonds (distance) P-C4' energy: -92.665 flat angles C4'-P-C4' energy: -100.592 flat angles P-C4'-P energy: -61.657 tors. eta vs tors. theta energy: -142.494 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: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1633.294324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.294324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.294324 (E_RNA) where: Base-Base interactions energy: -1152.244 where: short stacking energy: -548.628 Base-Backbone interact. energy: -0.060 local terms energy: -480.990477 where: bonds (distance) C4'-P energy: -77.702 bonds (distance) P-C4' energy: -86.783 flat angles C4'-P-C4' energy: -100.298 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -145.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1585.481015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.481015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.481015 (E_RNA) where: Base-Base interactions energy: -1113.318 where: short stacking energy: -515.963 Base-Backbone interact. energy: -0.463 local terms energy: -471.699582 where: bonds (distance) C4'-P energy: -89.952 bonds (distance) P-C4' energy: -81.800 flat angles C4'-P-C4' energy: -96.741 flat angles P-C4'-P energy: -58.863 tors. eta vs tors. theta energy: -144.343 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: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1579.276565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.276565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.276565 (E_RNA) where: Base-Base interactions energy: -1105.590 where: short stacking energy: -525.240 Base-Backbone interact. energy: 0.063 local terms energy: -473.748864 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -84.201 flat angles C4'-P-C4' energy: -96.691 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -128.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1383.189818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.189818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.189818 (E_RNA) where: Base-Base interactions energy: -974.603 where: short stacking energy: -457.659 Base-Backbone interact. energy: -1.610 local terms energy: -406.976303 where: bonds (distance) C4'-P energy: -64.842 bonds (distance) P-C4' energy: -80.155 flat angles C4'-P-C4' energy: -92.527 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -113.377 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1091.816144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.816144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.816144 (E_RNA) where: Base-Base interactions energy: -750.249 where: short stacking energy: -368.642 Base-Backbone interact. energy: 1.447 local terms energy: -343.014935 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -68.285 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -75.822 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: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1918.866837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.866837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.866837 (E_RNA) where: Base-Base interactions energy: -1369.384 where: short stacking energy: -623.378 Base-Backbone interact. energy: -3.186 local terms energy: -546.297171 where: bonds (distance) C4'-P energy: -106.849 bonds (distance) P-C4' energy: -84.923 flat angles C4'-P-C4' energy: -108.501 flat angles P-C4'-P energy: -84.075 tors. eta vs tors. theta energy: -161.949 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: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1904.095774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.095774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.095774 (E_RNA) where: Base-Base interactions energy: -1360.092 where: short stacking energy: -621.032 Base-Backbone interact. energy: 1.698 local terms energy: -545.701840 where: bonds (distance) C4'-P energy: -93.683 bonds (distance) P-C4' energy: -95.862 flat angles C4'-P-C4' energy: -116.776 flat angles P-C4'-P energy: -75.064 tors. eta vs tors. theta energy: -164.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1806.874281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.874281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.874281 (E_RNA) where: Base-Base interactions energy: -1300.436 where: short stacking energy: -603.178 Base-Backbone interact. energy: -0.702 local terms energy: -505.736433 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -94.063 flat angles C4'-P-C4' energy: -112.693 flat angles P-C4'-P energy: -64.847 tors. eta vs tors. theta energy: -157.337 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: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1780.993608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.993608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.993608 (E_RNA) where: Base-Base interactions energy: -1289.130 where: short stacking energy: -560.527 Base-Backbone interact. energy: -2.858 local terms energy: -489.004830 where: bonds (distance) C4'-P energy: -76.148 bonds (distance) P-C4' energy: -90.595 flat angles C4'-P-C4' energy: -109.810 flat angles P-C4'-P energy: -60.003 tors. eta vs tors. theta energy: -152.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1705.628220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.628220 (E_RNA) where: Base-Base interactions energy: -1216.470 where: short stacking energy: -571.678 Base-Backbone interact. energy: -1.708 local terms energy: -487.450625 where: bonds (distance) C4'-P energy: -84.908 bonds (distance) P-C4' energy: -83.967 flat angles C4'-P-C4' energy: -103.773 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: -146.708 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: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1624.522444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.522444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.522444 (E_RNA) where: Base-Base interactions energy: -1165.562 where: short stacking energy: -544.722 Base-Backbone interact. energy: -2.146 local terms energy: -456.814332 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -78.306 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -141.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1576.647839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.647839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.647839 (E_RNA) where: Base-Base interactions energy: -1127.218 where: short stacking energy: -535.794 Base-Backbone interact. energy: -0.639 local terms energy: -448.790126 where: bonds (distance) C4'-P energy: -80.640 bonds (distance) P-C4' energy: -70.679 flat angles C4'-P-C4' energy: -100.985 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -133.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1550.640290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.640290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.640290 (E_RNA) where: Base-Base interactions energy: -1131.824 where: short stacking energy: -497.293 Base-Backbone interact. energy: 0.583 local terms energy: -419.399197 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -73.106 flat angles C4'-P-C4' energy: -99.247 flat angles P-C4'-P energy: -54.787 tors. eta vs tors. theta energy: -128.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1343.774263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.774263 (E_RNA) where: Base-Base interactions energy: -964.297 where: short stacking energy: -448.579 Base-Backbone interact. energy: -0.817 local terms energy: -378.659350 where: bonds (distance) C4'-P energy: -82.833 bonds (distance) P-C4' energy: -65.209 flat angles C4'-P-C4' energy: -81.224 flat angles P-C4'-P energy: -43.980 tors. eta vs tors. theta energy: -105.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1100.133812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.133812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.133812 (E_RNA) where: Base-Base interactions energy: -743.499 where: short stacking energy: -364.019 Base-Backbone interact. energy: 2.104 local terms energy: -358.738386 where: bonds (distance) C4'-P energy: -67.969 bonds (distance) P-C4' energy: -83.612 flat angles C4'-P-C4' energy: -87.732 flat angles P-C4'-P energy: -31.757 tors. eta vs tors. theta energy: -87.669 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: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1899.422968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.422968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.422968 (E_RNA) where: Base-Base interactions energy: -1371.134 where: short stacking energy: -612.507 Base-Backbone interact. energy: -1.673 local terms energy: -526.615971 where: bonds (distance) C4'-P energy: -87.802 bonds (distance) P-C4' energy: -96.021 flat angles C4'-P-C4' energy: -116.719 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -164.290 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: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1910.677323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.677323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.677323 (E_RNA) where: Base-Base interactions energy: -1393.173 where: short stacking energy: -654.336 Base-Backbone interact. energy: -0.851 local terms energy: -516.653284 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -109.254 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -167.005 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: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1799.540694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.540694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.540694 (E_RNA) where: Base-Base interactions energy: -1279.839 where: short stacking energy: -581.300 Base-Backbone interact. energy: -0.722 local terms energy: -518.979831 where: bonds (distance) C4'-P energy: -97.788 bonds (distance) P-C4' energy: -99.242 flat angles C4'-P-C4' energy: -101.952 flat angles P-C4'-P energy: -64.024 tors. eta vs tors. theta energy: -155.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1781.303266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.303266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.303266 (E_RNA) where: Base-Base interactions energy: -1280.909 where: short stacking energy: -571.646 Base-Backbone interact. energy: -4.051 local terms energy: -496.342947 where: bonds (distance) C4'-P energy: -76.115 bonds (distance) P-C4' energy: -92.888 flat angles C4'-P-C4' energy: -101.281 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -152.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1696.392404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.392404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.392404 (E_RNA) where: Base-Base interactions energy: -1208.210 where: short stacking energy: -553.485 Base-Backbone interact. energy: -0.647 local terms energy: -487.535650 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -113.968 flat angles P-C4'-P energy: -72.429 tors. eta vs tors. theta energy: -146.298 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: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1598.613653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.613653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.613653 (E_RNA) where: Base-Base interactions energy: -1169.067 where: short stacking energy: -539.523 Base-Backbone interact. energy: -2.486 local terms energy: -427.061178 where: bonds (distance) C4'-P energy: -76.216 bonds (distance) P-C4' energy: -70.284 flat angles C4'-P-C4' energy: -92.543 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -133.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1617.649757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.649757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.649757 (E_RNA) where: Base-Base interactions energy: -1161.206 where: short stacking energy: -532.252 Base-Backbone interact. energy: 1.697 local terms energy: -458.140813 where: bonds (distance) C4'-P energy: -79.305 bonds (distance) P-C4' energy: -77.923 flat angles C4'-P-C4' energy: -98.473 flat angles P-C4'-P energy: -62.188 tors. eta vs tors. theta energy: -140.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1524.449856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.449856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.449856 (E_RNA) where: Base-Base interactions energy: -1074.728 where: short stacking energy: -504.113 Base-Backbone interact. energy: -1.302 local terms energy: -448.419548 where: bonds (distance) C4'-P energy: -73.349 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -106.816 flat angles P-C4'-P energy: -60.624 tors. eta vs tors. theta energy: -131.961 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: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1408.719633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.719633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.719633 (E_RNA) where: Base-Base interactions energy: -992.610 where: short stacking energy: -466.219 Base-Backbone interact. energy: -4.101 local terms energy: -412.008548 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -97.256 flat angles P-C4'-P energy: -49.886 tors. eta vs tors. theta energy: -116.152 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: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1055.036194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.036194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.036194 (E_RNA) where: Base-Base interactions energy: -696.818 where: short stacking energy: -363.136 Base-Backbone interact. energy: 2.474 local terms energy: -360.692931 where: bonds (distance) C4'-P energy: -71.334 bonds (distance) P-C4' energy: -62.583 flat angles C4'-P-C4' energy: -94.338 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -80.246 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: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1926.197372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.197372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.197372 (E_RNA) where: Base-Base interactions energy: -1380.305 where: short stacking energy: -627.571 Base-Backbone interact. energy: -3.562 local terms energy: -542.330122 where: bonds (distance) C4'-P energy: -100.789 bonds (distance) P-C4' energy: -95.915 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -73.770 tors. eta vs tors. theta energy: -162.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1914.307382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.307382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.307382 (E_RNA) where: Base-Base interactions energy: -1374.745 where: short stacking energy: -635.465 Base-Backbone interact. energy: -2.918 local terms energy: -536.643888 where: bonds (distance) C4'-P energy: -88.934 bonds (distance) P-C4' energy: -91.363 flat angles C4'-P-C4' energy: -115.368 flat angles P-C4'-P energy: -72.334 tors. eta vs tors. theta energy: -168.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1837.053689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.053689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.053689 (E_RNA) where: Base-Base interactions energy: -1313.718 where: short stacking energy: -582.683 Base-Backbone interact. energy: -2.551 local terms energy: -520.784679 where: bonds (distance) C4'-P energy: -84.739 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -109.392 flat angles P-C4'-P energy: -78.678 tors. eta vs tors. theta energy: -156.167 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: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1809.837920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.837920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.837920 (E_RNA) where: Base-Base interactions energy: -1295.744 where: short stacking energy: -604.631 Base-Backbone interact. energy: -1.270 local terms energy: -512.823589 where: bonds (distance) C4'-P energy: -81.806 bonds (distance) P-C4' energy: -90.136 flat angles C4'-P-C4' energy: -110.597 flat angles P-C4'-P energy: -70.892 tors. eta vs tors. theta energy: -159.392 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: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1684.373951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.373951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.373951 (E_RNA) where: Base-Base interactions energy: -1173.298 where: short stacking energy: -533.115 Base-Backbone interact. energy: -4.488 local terms energy: -506.587842 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -107.401 flat angles P-C4'-P energy: -66.918 tors. eta vs tors. theta energy: -149.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1615.208418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.208418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.208418 (E_RNA) where: Base-Base interactions energy: -1177.455 where: short stacking energy: -535.977 Base-Backbone interact. energy: -0.374 local terms energy: -437.380087 where: bonds (distance) C4'-P energy: -77.332 bonds (distance) P-C4' energy: -78.967 flat angles C4'-P-C4' energy: -84.427 flat angles P-C4'-P energy: -55.747 tors. eta vs tors. theta energy: -140.907 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: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1563.951286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.951286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.951286 (E_RNA) where: Base-Base interactions energy: -1126.116 where: short stacking energy: -531.955 Base-Backbone interact. energy: -1.493 local terms energy: -436.342622 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -86.655 flat angles C4'-P-C4' energy: -90.541 flat angles P-C4'-P energy: -61.755 tors. eta vs tors. theta energy: -128.800 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: 262 Temperature: 1.250000 Total energy: -1539.183569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.183569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.183569 (E_RNA) where: Base-Base interactions energy: -1065.610 where: short stacking energy: -515.456 Base-Backbone interact. energy: 0.298 local terms energy: -473.871689 where: bonds (distance) C4'-P energy: -85.712 bonds (distance) P-C4' energy: -92.223 flat angles C4'-P-C4' energy: -95.294 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -138.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1325.578498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.578498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.578498 (E_RNA) where: Base-Base interactions energy: -928.733 where: short stacking energy: -446.779 Base-Backbone interact. energy: -1.230 local terms energy: -395.615381 where: bonds (distance) C4'-P energy: -85.454 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -79.966 flat angles P-C4'-P energy: -48.925 tors. eta vs tors. theta energy: -105.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1164.779586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.779586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.779586 (E_RNA) where: Base-Base interactions energy: -790.699 where: short stacking energy: -403.564 Base-Backbone interact. energy: 2.002 local terms energy: -376.082943 where: bonds (distance) C4'-P energy: -74.133 bonds (distance) P-C4' energy: -69.524 flat angles C4'-P-C4' energy: -88.614 flat angles P-C4'-P energy: -52.100 tors. eta vs tors. theta energy: -91.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1911.745425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.745425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.745425 (E_RNA) where: Base-Base interactions energy: -1339.730 where: short stacking energy: -610.241 Base-Backbone interact. energy: -2.412 local terms energy: -569.603639 where: bonds (distance) C4'-P energy: -110.267 bonds (distance) P-C4' energy: -94.552 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -87.530 tors. eta vs tors. theta energy: -165.942 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: 263 Temperature: 0.950000 Total energy: -1906.299561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.299561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.299561 (E_RNA) where: Base-Base interactions energy: -1373.735 where: short stacking energy: -624.877 Base-Backbone interact. energy: 1.492 local terms energy: -534.056734 where: bonds (distance) C4'-P energy: -91.992 bonds (distance) P-C4' energy: -96.520 flat angles C4'-P-C4' energy: -105.119 flat angles P-C4'-P energy: -74.316 tors. eta vs tors. theta energy: -166.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1818.571074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.571074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.571074 (E_RNA) where: Base-Base interactions energy: -1320.194 where: short stacking energy: -566.109 Base-Backbone interact. energy: -1.020 local terms energy: -497.356657 where: bonds (distance) C4'-P energy: -86.417 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -103.278 flat angles P-C4'-P energy: -71.272 tors. eta vs tors. theta energy: -150.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1794.381008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.381008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.381008 (E_RNA) where: Base-Base interactions energy: -1291.297 where: short stacking energy: -586.881 Base-Backbone interact. energy: -0.807 local terms energy: -502.276750 where: bonds (distance) C4'-P energy: -95.680 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -99.155 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -157.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1730.868775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.868775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.868775 (E_RNA) where: Base-Base interactions energy: -1247.016 where: short stacking energy: -564.146 Base-Backbone interact. energy: -0.596 local terms energy: -483.256930 where: bonds (distance) C4'-P energy: -88.340 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -100.651 flat angles P-C4'-P energy: -62.385 tors. eta vs tors. theta energy: -147.631 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: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1641.865120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.865120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.865120 (E_RNA) where: Base-Base interactions energy: -1151.648 where: short stacking energy: -526.474 Base-Backbone interact. energy: -1.681 local terms energy: -488.535721 where: bonds (distance) C4'-P energy: -82.072 bonds (distance) P-C4' energy: -100.164 flat angles C4'-P-C4' energy: -94.831 flat angles P-C4'-P energy: -62.339 tors. eta vs tors. theta energy: -149.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1574.759809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.759809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.759809 (E_RNA) where: Base-Base interactions energy: -1141.737 where: short stacking energy: -501.854 Base-Backbone interact. energy: 0.137 local terms energy: -433.159801 where: bonds (distance) C4'-P energy: -74.000 bonds (distance) P-C4' energy: -73.999 flat angles C4'-P-C4' energy: -98.128 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -133.284 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: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1532.717280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.717280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.717280 (E_RNA) where: Base-Base interactions energy: -1124.538 where: short stacking energy: -498.066 Base-Backbone interact. energy: 2.366 local terms energy: -410.544805 where: bonds (distance) C4'-P energy: -72.188 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -98.775 flat angles P-C4'-P energy: -55.114 tors. eta vs tors. theta energy: -125.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1366.282733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.282733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.282733 (E_RNA) where: Base-Base interactions energy: -970.530 where: short stacking energy: -422.070 Base-Backbone interact. energy: -3.325 local terms energy: -392.428037 where: bonds (distance) C4'-P energy: -70.257 bonds (distance) P-C4' energy: -71.036 flat angles C4'-P-C4' energy: -86.313 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -98.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1135.148022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.148022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.148022 (E_RNA) where: Base-Base interactions energy: -762.652 where: short stacking energy: -379.021 Base-Backbone interact. energy: 0.877 local terms energy: -373.373009 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -72.708 flat angles C4'-P-C4' energy: -91.352 flat angles P-C4'-P energy: -58.969 tors. eta vs tors. theta energy: -84.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1929.412111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.412111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.412111 (E_RNA) where: Base-Base interactions energy: -1365.180 where: short stacking energy: -635.598 Base-Backbone interact. energy: -0.615 local terms energy: -563.616333 where: bonds (distance) C4'-P energy: -103.327 bonds (distance) P-C4' energy: -95.413 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -78.643 tors. eta vs tors. theta energy: -172.913 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: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1896.050864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.050864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.050864 (E_RNA) where: Base-Base interactions energy: -1357.240 where: short stacking energy: -628.485 Base-Backbone interact. energy: 0.447 local terms energy: -539.258269 where: bonds (distance) C4'-P energy: -89.709 bonds (distance) P-C4' energy: -93.882 flat angles C4'-P-C4' energy: -114.698 flat angles P-C4'-P energy: -78.089 tors. eta vs tors. theta energy: -162.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1826.164067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.164067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.164067 (E_RNA) where: Base-Base interactions energy: -1315.868 where: short stacking energy: -581.137 Base-Backbone interact. energy: -2.774 local terms energy: -507.521639 where: bonds (distance) C4'-P energy: -77.800 bonds (distance) P-C4' energy: -91.652 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: -159.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1801.776804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.776804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.776804 (E_RNA) where: Base-Base interactions energy: -1297.934 where: short stacking energy: -589.169 Base-Backbone interact. energy: -3.341 local terms energy: -500.501808 where: bonds (distance) C4'-P energy: -85.548 bonds (distance) P-C4' energy: -88.281 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: -156.732 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: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1694.118921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.118921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.118921 (E_RNA) where: Base-Base interactions energy: -1212.242 where: short stacking energy: -565.752 Base-Backbone interact. energy: -2.636 local terms energy: -479.240338 where: bonds (distance) C4'-P energy: -93.281 bonds (distance) P-C4' energy: -77.257 flat angles C4'-P-C4' energy: -100.319 flat angles P-C4'-P energy: -64.824 tors. eta vs tors. theta energy: -143.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1627.107942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.107942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.107942 (E_RNA) where: Base-Base interactions energy: -1151.788 where: short stacking energy: -522.829 Base-Backbone interact. energy: -0.520 local terms energy: -474.800250 where: bonds (distance) C4'-P energy: -80.770 bonds (distance) P-C4' energy: -84.189 flat angles C4'-P-C4' energy: -97.868 flat angles P-C4'-P energy: -67.781 tors. eta vs tors. theta energy: -144.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1548.943542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.943542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.943542 (E_RNA) where: Base-Base interactions energy: -1109.560 where: short stacking energy: -489.702 Base-Backbone interact. energy: 2.099 local terms energy: -441.482349 where: bonds (distance) C4'-P energy: -81.680 bonds (distance) P-C4' energy: -68.621 flat angles C4'-P-C4' energy: -96.302 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: -134.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1541.683163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.683163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.683163 (E_RNA) where: Base-Base interactions energy: -1112.467 where: short stacking energy: -522.167 Base-Backbone interact. energy: 1.007 local terms energy: -430.222598 where: bonds (distance) C4'-P energy: -74.760 bonds (distance) P-C4' energy: -66.097 flat angles C4'-P-C4' energy: -88.986 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -136.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1468.586795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.586795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.586795 (E_RNA) where: Base-Base interactions energy: -1070.780 where: short stacking energy: -469.503 Base-Backbone interact. energy: -1.382 local terms energy: -396.424528 where: bonds (distance) C4'-P energy: -75.368 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -74.966 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: -133.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1237.550086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.550086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.550086 (E_RNA) where: Base-Base interactions energy: -845.815 where: short stacking energy: -400.921 Base-Backbone interact. energy: -0.662 local terms energy: -391.072696 where: bonds (distance) C4'-P energy: -74.720 bonds (distance) P-C4' energy: -78.074 flat angles C4'-P-C4' energy: -77.563 flat angles P-C4'-P energy: -56.822 tors. eta vs tors. theta energy: -103.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1942.427505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.427505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.427505 (E_RNA) where: Base-Base interactions energy: -1396.258 where: short stacking energy: -638.992 Base-Backbone interact. energy: -0.445 local terms energy: -545.725439 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -101.153 flat angles C4'-P-C4' energy: -104.218 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -169.451 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: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1874.831817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.831817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.831817 (E_RNA) where: Base-Base interactions energy: -1357.035 where: short stacking energy: -620.822 Base-Backbone interact. energy: -3.146 local terms energy: -514.650962 where: bonds (distance) C4'-P energy: -85.211 bonds (distance) P-C4' energy: -87.239 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -76.148 tors. eta vs tors. theta energy: -162.877 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: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1821.060418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.060418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.060418 (E_RNA) where: Base-Base interactions energy: -1333.451 where: short stacking energy: -597.502 Base-Backbone interact. energy: -1.022 local terms energy: -486.586531 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -73.727 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -152.650 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: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1796.018902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.018902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.018902 (E_RNA) where: Base-Base interactions energy: -1315.905 where: short stacking energy: -589.634 Base-Backbone interact. energy: 3.007 local terms energy: -483.121446 where: bonds (distance) C4'-P energy: -73.797 bonds (distance) P-C4' energy: -92.809 flat angles C4'-P-C4' energy: -95.411 flat angles P-C4'-P energy: -70.880 tors. eta vs tors. theta energy: -150.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1711.030313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.030313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.030313 (E_RNA) where: Base-Base interactions energy: -1229.612 where: short stacking energy: -551.390 Base-Backbone interact. energy: -1.816 local terms energy: -479.602407 where: bonds (distance) C4'-P energy: -72.223 bonds (distance) P-C4' energy: -86.458 flat angles C4'-P-C4' energy: -93.409 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -150.728 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: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1624.497456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.497456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.497456 (E_RNA) where: Base-Base interactions energy: -1167.615 where: short stacking energy: -513.237 Base-Backbone interact. energy: -0.186 local terms energy: -456.696396 where: bonds (distance) C4'-P energy: -71.848 bonds (distance) P-C4' energy: -87.475 flat angles C4'-P-C4' energy: -99.882 flat angles P-C4'-P energy: -62.335 tors. eta vs tors. theta energy: -135.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1555.700323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.700323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.700323 (E_RNA) where: Base-Base interactions energy: -1083.877 where: short stacking energy: -495.149 Base-Backbone interact. energy: -0.545 local terms energy: -471.278595 where: bonds (distance) C4'-P energy: -76.228 bonds (distance) P-C4' energy: -90.827 flat angles C4'-P-C4' energy: -97.451 flat angles P-C4'-P energy: -75.832 tors. eta vs tors. theta energy: -130.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1467.419795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.419795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.419795 (E_RNA) where: Base-Base interactions energy: -1104.668 where: short stacking energy: -480.071 Base-Backbone interact. energy: -0.254 local terms energy: -362.497557 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -51.709 flat angles C4'-P-C4' energy: -86.736 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -120.864 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: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1533.861057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.861057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.861057 (E_RNA) where: Base-Base interactions energy: -1092.064 where: short stacking energy: -482.620 Base-Backbone interact. energy: -1.942 local terms energy: -439.854787 where: bonds (distance) C4'-P energy: -74.502 bonds (distance) P-C4' energy: -85.995 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: -136.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1241.301141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.301141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.301141 (E_RNA) where: Base-Base interactions energy: -886.000 where: short stacking energy: -416.910 Base-Backbone interact. energy: 1.847 local terms energy: -357.148148 where: bonds (distance) C4'-P energy: -69.930 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -91.432 flat angles P-C4'-P energy: -23.015 tors. eta vs tors. theta energy: -105.863 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: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1930.634891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.634891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.634891 (E_RNA) where: Base-Base interactions energy: -1379.317 where: short stacking energy: -636.510 Base-Backbone interact. energy: -1.212 local terms energy: -550.105778 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -88.208 flat angles C4'-P-C4' energy: -113.127 flat angles P-C4'-P energy: -90.065 tors. eta vs tors. theta energy: -167.188 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1870.940352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.940352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.940352 (E_RNA) where: Base-Base interactions energy: -1329.227 where: short stacking energy: -608.748 Base-Backbone interact. energy: -1.286 local terms energy: -540.427456 where: bonds (distance) C4'-P energy: -91.465 bonds (distance) P-C4' energy: -96.782 flat angles C4'-P-C4' energy: -116.661 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: -163.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1808.816711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.816711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.816711 (E_RNA) where: Base-Base interactions energy: -1297.734 where: short stacking energy: -579.655 Base-Backbone interact. energy: -4.525 local terms energy: -506.557174 where: bonds (distance) C4'-P energy: -78.591 bonds (distance) P-C4' energy: -94.822 flat angles C4'-P-C4' energy: -113.860 flat angles P-C4'-P energy: -69.874 tors. eta vs tors. theta energy: -149.410 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: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1783.968274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.968274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.968274 (E_RNA) where: Base-Base interactions energy: -1295.157 where: short stacking energy: -593.331 Base-Backbone interact. energy: -2.522 local terms energy: -486.289245 where: bonds (distance) C4'-P energy: -76.692 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -102.591 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -158.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1714.616762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.616762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.616762 (E_RNA) where: Base-Base interactions energy: -1228.480 where: short stacking energy: -569.099 Base-Backbone interact. energy: -1.480 local terms energy: -484.656414 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -89.292 flat angles C4'-P-C4' energy: -106.237 flat angles P-C4'-P energy: -59.269 tors. eta vs tors. theta energy: -140.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1624.117195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.117195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.117195 (E_RNA) where: Base-Base interactions energy: -1146.174 where: short stacking energy: -531.296 Base-Backbone interact. energy: -3.054 local terms energy: -474.888935 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -88.914 flat angles C4'-P-C4' energy: -89.461 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: -149.822 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: 266 Temperature: 1.200000 Total energy: -1523.849802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.849802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.849802 (E_RNA) where: Base-Base interactions energy: -1115.835 where: short stacking energy: -494.070 Base-Backbone interact. energy: 1.644 local terms energy: -409.659095 where: bonds (distance) C4'-P energy: -76.587 bonds (distance) P-C4' energy: -67.393 flat angles C4'-P-C4' energy: -90.427 flat angles P-C4'-P energy: -53.293 tors. eta vs tors. theta energy: -121.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1467.435359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.435359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.435359 (E_RNA) where: Base-Base interactions energy: -1066.741 where: short stacking energy: -464.489 Base-Backbone interact. energy: 1.039 local terms energy: -401.733653 where: bonds (distance) C4'-P energy: -72.165 bonds (distance) P-C4' energy: -71.113 flat angles C4'-P-C4' energy: -85.636 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -119.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1511.871611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.871611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.871611 (E_RNA) where: Base-Base interactions energy: -1068.391 where: short stacking energy: -497.179 Base-Backbone interact. energy: 2.275 local terms energy: -445.755392 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -89.597 flat angles C4'-P-C4' energy: -88.659 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -136.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1290.046422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.046422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.046422 (E_RNA) where: Base-Base interactions energy: -902.426 where: short stacking energy: -452.366 Base-Backbone interact. energy: 0.071 local terms energy: -387.691157 where: bonds (distance) C4'-P energy: -60.817 bonds (distance) P-C4' energy: -58.434 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -53.252 tors. eta vs tors. theta energy: -116.972 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: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1928.491244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.491244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.491244 (E_RNA) where: Base-Base interactions energy: -1382.798 where: short stacking energy: -649.646 Base-Backbone interact. energy: -1.032 local terms energy: -544.661607 where: bonds (distance) C4'-P energy: -92.284 bonds (distance) P-C4' energy: -88.945 flat angles C4'-P-C4' energy: -114.442 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -171.445 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: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1854.873301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.873301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.873301 (E_RNA) where: Base-Base interactions energy: -1322.148 where: short stacking energy: -582.774 Base-Backbone interact. energy: -1.736 local terms energy: -530.988779 where: bonds (distance) C4'-P energy: -86.450 bonds (distance) P-C4' energy: -95.754 flat angles C4'-P-C4' energy: -115.077 flat angles P-C4'-P energy: -82.270 tors. eta vs tors. theta energy: -151.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1831.109098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.109098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.109098 (E_RNA) where: Base-Base interactions energy: -1313.713 where: short stacking energy: -592.943 Base-Backbone interact. energy: -0.974 local terms energy: -516.421968 where: bonds (distance) C4'-P energy: -83.488 bonds (distance) P-C4' energy: -85.404 flat angles C4'-P-C4' energy: -110.820 flat angles P-C4'-P energy: -74.505 tors. eta vs tors. theta energy: -162.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1773.866696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.866696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.866696 (E_RNA) where: Base-Base interactions energy: -1275.457 where: short stacking energy: -592.556 Base-Backbone interact. energy: -1.635 local terms energy: -496.774528 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -87.114 flat angles C4'-P-C4' energy: -107.118 flat angles P-C4'-P energy: -66.218 tors. eta vs tors. theta energy: -148.950 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: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1706.858853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.858853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.858853 (E_RNA) where: Base-Base interactions energy: -1227.189 where: short stacking energy: -550.658 Base-Backbone interact. energy: -1.591 local terms energy: -478.078576 where: bonds (distance) C4'-P energy: -87.066 bonds (distance) P-C4' energy: -79.502 flat angles C4'-P-C4' energy: -102.445 flat angles P-C4'-P energy: -66.908 tors. eta vs tors. theta energy: -142.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1626.283527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.283527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.283527 (E_RNA) where: Base-Base interactions energy: -1171.922 where: short stacking energy: -520.221 Base-Backbone interact. energy: 2.563 local terms energy: -456.924072 where: bonds (distance) C4'-P energy: -86.476 bonds (distance) P-C4' energy: -83.974 flat angles C4'-P-C4' energy: -98.884 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -135.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1541.063676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.063676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.063676 (E_RNA) where: Base-Base interactions energy: -1107.515 where: short stacking energy: -476.117 Base-Backbone interact. energy: -1.743 local terms energy: -431.805559 where: bonds (distance) C4'-P energy: -76.407 bonds (distance) P-C4' energy: -70.458 flat angles C4'-P-C4' energy: -90.359 flat angles P-C4'-P energy: -69.645 tors. eta vs tors. theta energy: -124.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1469.463590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.463590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.463590 (E_RNA) where: Base-Base interactions energy: -1049.084 where: short stacking energy: -495.067 Base-Backbone interact. energy: -1.355 local terms energy: -419.024420 where: bonds (distance) C4'-P energy: -66.926 bonds (distance) P-C4' energy: -79.577 flat angles C4'-P-C4' energy: -86.482 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -132.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1490.249133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.249133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.249133 (E_RNA) where: Base-Base interactions energy: -1065.090 where: short stacking energy: -499.585 Base-Backbone interact. energy: -1.315 local terms energy: -423.844146 where: bonds (distance) C4'-P energy: -69.702 bonds (distance) P-C4' energy: -79.400 flat angles C4'-P-C4' energy: -87.519 flat angles P-C4'-P energy: -63.240 tors. eta vs tors. theta energy: -123.984 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: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1318.188925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.188925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.188925 (E_RNA) where: Base-Base interactions energy: -932.163 where: short stacking energy: -425.769 Base-Backbone interact. energy: -0.760 local terms energy: -385.266681 where: bonds (distance) C4'-P energy: -77.143 bonds (distance) P-C4' energy: -52.146 flat angles C4'-P-C4' energy: -93.073 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -107.740 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: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1939.685921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.685921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.685921 (E_RNA) where: Base-Base interactions energy: -1385.800 where: short stacking energy: -637.920 Base-Backbone interact. energy: -2.480 local terms energy: -551.405762 where: bonds (distance) C4'-P energy: -98.104 bonds (distance) P-C4' energy: -90.281 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -80.238 tors. eta vs tors. theta energy: -165.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1862.125068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.125068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.125068 (E_RNA) where: Base-Base interactions energy: -1336.167 where: short stacking energy: -604.450 Base-Backbone interact. energy: -2.787 local terms energy: -523.170632 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -92.190 flat angles C4'-P-C4' energy: -118.374 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: -149.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1851.149489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.149489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.149489 (E_RNA) where: Base-Base interactions energy: -1332.664 where: short stacking energy: -606.388 Base-Backbone interact. energy: -1.454 local terms energy: -517.031145 where: bonds (distance) C4'-P energy: -94.690 bonds (distance) P-C4' energy: -87.656 flat angles C4'-P-C4' energy: -107.800 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -158.019 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: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1782.207500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.207500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.207500 (E_RNA) where: Base-Base interactions energy: -1281.887 where: short stacking energy: -581.696 Base-Backbone interact. energy: -1.531 local terms energy: -498.789653 where: bonds (distance) C4'-P energy: -77.132 bonds (distance) P-C4' energy: -89.914 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -64.867 tors. eta vs tors. theta energy: -157.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1691.116928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.116928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.116928 (E_RNA) where: Base-Base interactions energy: -1231.682 where: short stacking energy: -547.126 Base-Backbone interact. energy: -2.035 local terms energy: -457.399413 where: bonds (distance) C4'-P energy: -78.200 bonds (distance) P-C4' energy: -77.650 flat angles C4'-P-C4' energy: -92.247 flat angles P-C4'-P energy: -67.831 tors. eta vs tors. theta energy: -141.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1632.444509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.444509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.444509 (E_RNA) where: Base-Base interactions energy: -1165.939 where: short stacking energy: -528.562 Base-Backbone interact. energy: -2.426 local terms energy: -464.079349 where: bonds (distance) C4'-P energy: -87.544 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -101.271 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -135.862 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: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1552.097238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.097238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.097238 (E_RNA) where: Base-Base interactions energy: -1111.620 where: short stacking energy: -504.060 Base-Backbone interact. energy: -1.929 local terms energy: -438.547839 where: bonds (distance) C4'-P energy: -74.207 bonds (distance) P-C4' energy: -90.020 flat angles C4'-P-C4' energy: -89.929 flat angles P-C4'-P energy: -57.234 tors. eta vs tors. theta energy: -127.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1456.091619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.091619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.091619 (E_RNA) where: Base-Base interactions energy: -1050.309 where: short stacking energy: -470.019 Base-Backbone interact. energy: 0.954 local terms energy: -406.736890 where: bonds (distance) C4'-P energy: -65.113 bonds (distance) P-C4' energy: -76.817 flat angles C4'-P-C4' energy: -94.589 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -121.997 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: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1468.297770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.297770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.297770 (E_RNA) where: Base-Base interactions energy: -1029.549 where: short stacking energy: -478.130 Base-Backbone interact. energy: -1.155 local terms energy: -437.593623 where: bonds (distance) C4'-P energy: -76.551 bonds (distance) P-C4' energy: -60.727 flat angles C4'-P-C4' energy: -95.519 flat angles P-C4'-P energy: -69.598 tors. eta vs tors. theta energy: -135.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1322.913697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.913697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.913697 (E_RNA) where: Base-Base interactions energy: -928.503 where: short stacking energy: -418.699 Base-Backbone interact. energy: -1.150 local terms energy: -393.261130 where: bonds (distance) C4'-P energy: -69.044 bonds (distance) P-C4' energy: -71.848 flat angles C4'-P-C4' energy: -83.027 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -106.070 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: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1964.221211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.221211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.221211 (E_RNA) where: Base-Base interactions energy: -1395.109 where: short stacking energy: -648.913 Base-Backbone interact. energy: -1.279 local terms energy: -567.833046 where: bonds (distance) C4'-P energy: -104.551 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -115.360 flat angles P-C4'-P energy: -85.461 tors. eta vs tors. theta energy: -168.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1860.803572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.803572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.803572 (E_RNA) where: Base-Base interactions energy: -1346.174 where: short stacking energy: -592.709 Base-Backbone interact. energy: -1.921 local terms energy: -512.709347 where: bonds (distance) C4'-P energy: -92.377 bonds (distance) P-C4' energy: -91.836 flat angles C4'-P-C4' energy: -111.373 flat angles P-C4'-P energy: -69.448 tors. eta vs tors. theta energy: -147.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1871.959774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.959774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.959774 (E_RNA) where: Base-Base interactions energy: -1329.563 where: short stacking energy: -589.356 Base-Backbone interact. energy: -1.614 local terms energy: -540.782973 where: bonds (distance) C4'-P energy: -95.915 bonds (distance) P-C4' energy: -97.029 flat angles C4'-P-C4' energy: -108.703 flat angles P-C4'-P energy: -76.386 tors. eta vs tors. theta energy: -162.750 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: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1729.327608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.327608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.327608 (E_RNA) where: Base-Base interactions energy: -1255.909 where: short stacking energy: -556.550 Base-Backbone interact. energy: -0.807 local terms energy: -472.611597 where: bonds (distance) C4'-P energy: -83.177 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -102.916 flat angles P-C4'-P energy: -73.463 tors. eta vs tors. theta energy: -146.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1734.511433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.511433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.511433 (E_RNA) where: Base-Base interactions energy: -1247.809 where: short stacking energy: -562.352 Base-Backbone interact. energy: -3.453 local terms energy: -483.249126 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -88.984 flat angles C4'-P-C4' energy: -102.509 flat angles P-C4'-P energy: -56.511 tors. eta vs tors. theta energy: -157.920 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: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1652.133498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.133498 (E_RNA) where: Base-Base interactions energy: -1158.252 where: short stacking energy: -516.035 Base-Backbone interact. energy: -2.656 local terms energy: -491.225742 where: bonds (distance) C4'-P energy: -84.746 bonds (distance) P-C4' energy: -105.614 flat angles C4'-P-C4' energy: -97.943 flat angles P-C4'-P energy: -70.035 tors. eta vs tors. theta energy: -132.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1543.328188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.328188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.328188 (E_RNA) where: Base-Base interactions energy: -1067.849 where: short stacking energy: -513.568 Base-Backbone interact. energy: -1.777 local terms energy: -473.702266 where: bonds (distance) C4'-P energy: -90.285 bonds (distance) P-C4' energy: -81.296 flat angles C4'-P-C4' energy: -100.519 flat angles P-C4'-P energy: -61.782 tors. eta vs tors. theta energy: -139.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1489.866794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.866794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.866794 (E_RNA) where: Base-Base interactions energy: -1047.342 where: short stacking energy: -467.981 Base-Backbone interact. energy: 0.498 local terms energy: -443.023185 where: bonds (distance) C4'-P energy: -78.452 bonds (distance) P-C4' energy: -84.609 flat angles C4'-P-C4' energy: -98.449 flat angles P-C4'-P energy: -54.858 tors. eta vs tors. theta energy: -126.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1487.466467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.466467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.466467 (E_RNA) where: Base-Base interactions energy: -1061.515 where: short stacking energy: -493.375 Base-Backbone interact. energy: -2.337 local terms energy: -423.614358 where: bonds (distance) C4'-P energy: -78.912 bonds (distance) P-C4' energy: -90.693 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -119.122 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: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1266.984342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.984342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.984342 (E_RNA) where: Base-Base interactions energy: -898.142 where: short stacking energy: -431.832 Base-Backbone interact. energy: 2.931 local terms energy: -371.773107 where: bonds (distance) C4'-P energy: -59.388 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -84.921 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -102.322 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: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1940.778277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.778277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.778277 (E_RNA) where: Base-Base interactions energy: -1379.107 where: short stacking energy: -651.221 Base-Backbone interact. energy: -1.072 local terms energy: -560.599835 where: bonds (distance) C4'-P energy: -99.550 bonds (distance) P-C4' energy: -85.098 flat angles C4'-P-C4' energy: -116.317 flat angles P-C4'-P energy: -89.922 tors. eta vs tors. theta energy: -169.713 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: 2, replica: 8 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1855.863737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.863737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.863737 (E_RNA) where: Base-Base interactions energy: -1346.939 where: short stacking energy: -594.339 Base-Backbone interact. energy: -1.593 local terms energy: -507.331687 where: bonds (distance) C4'-P energy: -88.957 bonds (distance) P-C4' energy: -83.284 flat angles C4'-P-C4' energy: -110.246 flat angles P-C4'-P energy: -72.251 tors. eta vs tors. theta energy: -152.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1848.211109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.211109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.211109 (E_RNA) where: Base-Base interactions energy: -1321.415 where: short stacking energy: -594.618 Base-Backbone interact. energy: -1.281 local terms energy: -525.515025 where: bonds (distance) C4'-P energy: -82.759 bonds (distance) P-C4' energy: -83.983 flat angles C4'-P-C4' energy: -116.478 flat angles P-C4'-P energy: -76.629 tors. eta vs tors. theta energy: -165.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1735.720936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.720936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.720936 (E_RNA) where: Base-Base interactions energy: -1238.303 where: short stacking energy: -586.002 Base-Backbone interact. energy: 0.656 local terms energy: -498.074007 where: bonds (distance) C4'-P energy: -80.334 bonds (distance) P-C4' energy: -92.538 flat angles C4'-P-C4' energy: -106.017 flat angles P-C4'-P energy: -68.168 tors. eta vs tors. theta energy: -151.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1756.035789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.035789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.035789 (E_RNA) where: Base-Base interactions energy: -1288.149 where: short stacking energy: -560.547 Base-Backbone interact. energy: -1.538 local terms energy: -466.348156 where: bonds (distance) C4'-P energy: -76.562 bonds (distance) P-C4' energy: -80.273 flat angles C4'-P-C4' energy: -95.996 flat angles P-C4'-P energy: -61.270 tors. eta vs tors. theta energy: -152.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1624.571274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.571274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.571274 (E_RNA) where: Base-Base interactions energy: -1157.970 where: short stacking energy: -537.098 Base-Backbone interact. energy: 0.791 local terms energy: -467.392254 where: bonds (distance) C4'-P energy: -75.154 bonds (distance) P-C4' energy: -91.251 flat angles C4'-P-C4' energy: -96.225 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -144.928 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: 270 Temperature: 1.200000 Total energy: -1507.457651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.457651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.457651 (E_RNA) where: Base-Base interactions energy: -1070.299 where: short stacking energy: -511.422 Base-Backbone interact. energy: -0.844 local terms energy: -436.314882 where: bonds (distance) C4'-P energy: -82.182 bonds (distance) P-C4' energy: -74.593 flat angles C4'-P-C4' energy: -83.019 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -129.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1493.342956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.342956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.342956 (E_RNA) where: Base-Base interactions energy: -1060.584 where: short stacking energy: -468.037 Base-Backbone interact. energy: -0.094 local terms energy: -432.665098 where: bonds (distance) C4'-P energy: -71.057 bonds (distance) P-C4' energy: -83.671 flat angles C4'-P-C4' energy: -90.902 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -122.038 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: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1516.111098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.111098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.111098 (E_RNA) where: Base-Base interactions energy: -1074.709 where: short stacking energy: -491.470 Base-Backbone interact. energy: 1.206 local terms energy: -442.608130 where: bonds (distance) C4'-P energy: -77.013 bonds (distance) P-C4' energy: -76.693 flat angles C4'-P-C4' energy: -97.271 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: -131.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1259.050373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.050373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.050373 (E_RNA) where: Base-Base interactions energy: -886.695 where: short stacking energy: -408.106 Base-Backbone interact. energy: 1.381 local terms energy: -373.736417 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -72.166 flat angles C4'-P-C4' energy: -90.080 flat angles P-C4'-P energy: -54.822 tors. eta vs tors. theta energy: -93.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1951.027171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.027171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.027171 (E_RNA) where: Base-Base interactions energy: -1402.998 where: short stacking energy: -632.651 Base-Backbone interact. energy: -1.928 local terms energy: -546.101229 where: bonds (distance) C4'-P energy: -100.084 bonds (distance) P-C4' energy: -87.197 flat angles C4'-P-C4' energy: -113.998 flat angles P-C4'-P energy: -75.812 tors. eta vs tors. theta energy: -169.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1881.851764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.851764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.851764 (E_RNA) where: Base-Base interactions energy: -1349.399 where: short stacking energy: -588.414 Base-Backbone interact. energy: -3.714 local terms energy: -528.738847 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -109.473 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -155.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1845.863928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.863928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.863928 (E_RNA) where: Base-Base interactions energy: -1304.701 where: short stacking energy: -593.698 Base-Backbone interact. energy: -3.260 local terms energy: -537.902899 where: bonds (distance) C4'-P energy: -91.223 bonds (distance) P-C4' energy: -99.599 flat angles C4'-P-C4' energy: -107.407 flat angles P-C4'-P energy: -78.581 tors. eta vs tors. theta energy: -161.092 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: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1723.641937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.641937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.641937 (E_RNA) where: Base-Base interactions energy: -1242.815 where: short stacking energy: -562.279 Base-Backbone interact. energy: -1.995 local terms energy: -478.832302 where: bonds (distance) C4'-P energy: -86.336 bonds (distance) P-C4' energy: -82.290 flat angles C4'-P-C4' energy: -99.685 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: -144.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1773.294015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.294015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.294015 (E_RNA) where: Base-Base interactions energy: -1278.205 where: short stacking energy: -578.429 Base-Backbone interact. energy: 2.927 local terms energy: -498.016491 where: bonds (distance) C4'-P energy: -78.775 bonds (distance) P-C4' energy: -89.342 flat angles C4'-P-C4' energy: -100.587 flat angles P-C4'-P energy: -73.738 tors. eta vs tors. theta energy: -155.574 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: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1601.468171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.468171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.468171 (E_RNA) where: Base-Base interactions energy: -1162.564 where: short stacking energy: -492.596 Base-Backbone interact. energy: -1.621 local terms energy: -437.282640 where: bonds (distance) C4'-P energy: -72.479 bonds (distance) P-C4' energy: -72.833 flat angles C4'-P-C4' energy: -97.512 flat angles P-C4'-P energy: -63.979 tors. eta vs tors. theta energy: -130.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1509.220957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.220957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.220957 (E_RNA) where: Base-Base interactions energy: -1083.145 where: short stacking energy: -472.792 Base-Backbone interact. energy: 2.356 local terms energy: -428.431629 where: bonds (distance) C4'-P energy: -87.058 bonds (distance) P-C4' energy: -85.442 flat angles C4'-P-C4' energy: -90.609 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -116.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1538.096980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.096980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.096980 (E_RNA) where: Base-Base interactions energy: -1096.430 where: short stacking energy: -510.193 Base-Backbone interact. energy: -0.420 local terms energy: -441.246221 where: bonds (distance) C4'-P energy: -65.345 bonds (distance) P-C4' energy: -75.186 flat angles C4'-P-C4' energy: -89.077 flat angles P-C4'-P energy: -76.768 tors. eta vs tors. theta energy: -134.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1471.288526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.288526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.288526 (E_RNA) where: Base-Base interactions energy: -1044.512 where: short stacking energy: -462.800 Base-Backbone interact. energy: -2.761 local terms energy: -424.015609 where: bonds (distance) C4'-P energy: -80.453 bonds (distance) P-C4' energy: -80.780 flat angles C4'-P-C4' energy: -79.801 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -124.427 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: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1222.981733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.981733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.981733 (E_RNA) where: Base-Base interactions energy: -849.918 where: short stacking energy: -394.759 Base-Backbone interact. energy: 0.438 local terms energy: -373.501733 where: bonds (distance) C4'-P energy: -85.011 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -87.241 flat angles P-C4'-P energy: -42.835 tors. eta vs tors. theta energy: -99.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1953.543910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.543910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.543910 (E_RNA) where: Base-Base interactions energy: -1391.510 where: short stacking energy: -627.064 Base-Backbone interact. energy: -0.257 local terms energy: -561.777127 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -91.677 flat angles C4'-P-C4' energy: -115.086 flat angles P-C4'-P energy: -86.418 tors. eta vs tors. theta energy: -169.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1855.275894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.275894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.275894 (E_RNA) where: Base-Base interactions energy: -1333.164 where: short stacking energy: -597.352 Base-Backbone interact. energy: -3.142 local terms energy: -518.970055 where: bonds (distance) C4'-P energy: -91.857 bonds (distance) P-C4' energy: -86.336 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -157.855 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: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1849.159780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.159780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.159780 (E_RNA) where: Base-Base interactions energy: -1318.366 where: short stacking energy: -601.475 Base-Backbone interact. energy: 3.490 local terms energy: -534.283845 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -93.524 flat angles C4'-P-C4' energy: -108.992 flat angles P-C4'-P energy: -74.075 tors. eta vs tors. theta energy: -165.478 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: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1762.339928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.339928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.339928 (E_RNA) where: Base-Base interactions energy: -1267.270 where: short stacking energy: -560.386 Base-Backbone interact. energy: -2.286 local terms energy: -492.783953 where: bonds (distance) C4'-P energy: -80.330 bonds (distance) P-C4' energy: -84.747 flat angles C4'-P-C4' energy: -105.225 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -150.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1767.975080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.975080 (E_RNA) where: Base-Base interactions energy: -1285.060 where: short stacking energy: -563.532 Base-Backbone interact. energy: -2.058 local terms energy: -480.856714 where: bonds (distance) C4'-P energy: -89.597 bonds (distance) P-C4' energy: -78.108 flat angles C4'-P-C4' energy: -103.059 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -145.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1613.706353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.706353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.706353 (E_RNA) where: Base-Base interactions energy: -1172.722 where: short stacking energy: -519.515 Base-Backbone interact. energy: -4.084 local terms energy: -436.899979 where: bonds (distance) C4'-P energy: -59.682 bonds (distance) P-C4' energy: -85.319 flat angles C4'-P-C4' energy: -98.232 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -137.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1564.197515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.197515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.197515 (E_RNA) where: Base-Base interactions energy: -1107.535 where: short stacking energy: -528.072 Base-Backbone interact. energy: -0.366 local terms energy: -456.295988 where: bonds (distance) C4'-P energy: -89.687 bonds (distance) P-C4' energy: -78.522 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -134.550 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: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1468.574035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.574035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.574035 (E_RNA) where: Base-Base interactions energy: -1062.396 where: short stacking energy: -469.708 Base-Backbone interact. energy: 2.394 local terms energy: -408.572542 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -78.862 flat angles C4'-P-C4' energy: -76.103 flat angles P-C4'-P energy: -60.196 tors. eta vs tors. theta energy: -128.252 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: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1442.718160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.718160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.718160 (E_RNA) where: Base-Base interactions energy: -1025.864 where: short stacking energy: -466.714 Base-Backbone interact. energy: 0.130 local terms energy: -416.983959 where: bonds (distance) C4'-P energy: -85.751 bonds (distance) P-C4' energy: -78.932 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -122.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1266.439018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.439018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.439018 (E_RNA) where: Base-Base interactions energy: -889.804 where: short stacking energy: -414.920 Base-Backbone interact. energy: 0.220 local terms energy: -376.854600 where: bonds (distance) C4'-P energy: -78.011 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -82.998 flat angles P-C4'-P energy: -51.572 tors. eta vs tors. theta energy: -92.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1956.990225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.990225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.990225 (E_RNA) where: Base-Base interactions energy: -1401.097 where: short stacking energy: -635.795 Base-Backbone interact. energy: -2.483 local terms energy: -553.410043 where: bonds (distance) C4'-P energy: -94.286 bonds (distance) P-C4' energy: -99.477 flat angles C4'-P-C4' energy: -113.469 flat angles P-C4'-P energy: -72.332 tors. eta vs tors. theta energy: -173.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1887.542982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.542982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.542982 (E_RNA) where: Base-Base interactions energy: -1352.935 where: short stacking energy: -598.056 Base-Backbone interact. energy: -2.176 local terms energy: -532.431632 where: bonds (distance) C4'-P energy: -92.086 bonds (distance) P-C4' energy: -93.803 flat angles C4'-P-C4' energy: -109.185 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: -157.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1860.296301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.296301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.296301 (E_RNA) where: Base-Base interactions energy: -1337.163 where: short stacking energy: -613.934 Base-Backbone interact. energy: -3.285 local terms energy: -519.848223 where: bonds (distance) C4'-P energy: -89.436 bonds (distance) P-C4' energy: -85.450 flat angles C4'-P-C4' energy: -106.912 flat angles P-C4'-P energy: -80.838 tors. eta vs tors. theta energy: -157.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1792.215993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.215993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.215993 (E_RNA) where: Base-Base interactions energy: -1286.597 where: short stacking energy: -585.918 Base-Backbone interact. energy: -2.792 local terms energy: -502.827459 where: bonds (distance) C4'-P energy: -83.159 bonds (distance) P-C4' energy: -100.674 flat angles C4'-P-C4' energy: -98.198 flat angles P-C4'-P energy: -67.592 tors. eta vs tors. theta energy: -153.203 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: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1725.323602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.323602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.323602 (E_RNA) where: Base-Base interactions energy: -1232.585 where: short stacking energy: -537.885 Base-Backbone interact. energy: -2.582 local terms energy: -490.157068 where: bonds (distance) C4'-P energy: -90.003 bonds (distance) P-C4' energy: -84.411 flat angles C4'-P-C4' energy: -103.669 flat angles P-C4'-P energy: -62.312 tors. eta vs tors. theta energy: -149.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1612.941031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.941031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.941031 (E_RNA) where: Base-Base interactions energy: -1138.331 where: short stacking energy: -519.432 Base-Backbone interact. energy: -2.279 local terms energy: -472.331656 where: bonds (distance) C4'-P energy: -94.303 bonds (distance) P-C4' energy: -86.453 flat angles C4'-P-C4' energy: -94.230 flat angles P-C4'-P energy: -64.427 tors. eta vs tors. theta energy: -132.919 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: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1541.911843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.911843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.911843 (E_RNA) where: Base-Base interactions energy: -1101.182 where: short stacking energy: -513.757 Base-Backbone interact. energy: -1.140 local terms energy: -439.589684 where: bonds (distance) C4'-P energy: -67.001 bonds (distance) P-C4' energy: -79.017 flat angles C4'-P-C4' energy: -92.371 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -134.865 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: 273 Temperature: 1.250000 Total energy: -1499.370209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.370209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.370209 (E_RNA) where: Base-Base interactions energy: -1082.819 where: short stacking energy: -486.072 Base-Backbone interact. energy: 1.908 local terms energy: -418.459448 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -81.141 flat angles C4'-P-C4' energy: -80.493 flat angles P-C4'-P energy: -56.936 tors. eta vs tors. theta energy: -130.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1446.638089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.638089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.638089 (E_RNA) where: Base-Base interactions energy: -1023.857 where: short stacking energy: -460.174 Base-Backbone interact. energy: -3.537 local terms energy: -419.243752 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -68.272 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: -116.210 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: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1345.380341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.380341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.380341 (E_RNA) where: Base-Base interactions energy: -923.350 where: short stacking energy: -445.656 Base-Backbone interact. energy: -0.134 local terms energy: -421.896589 where: bonds (distance) C4'-P energy: -75.582 bonds (distance) P-C4' energy: -80.833 flat angles C4'-P-C4' energy: -106.081 flat angles P-C4'-P energy: -46.771 tors. eta vs tors. theta energy: -112.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1972.024065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.024065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.024065 (E_RNA) where: Base-Base interactions energy: -1402.017 where: short stacking energy: -651.968 Base-Backbone interact. energy: -2.607 local terms energy: -567.399776 where: bonds (distance) C4'-P energy: -100.887 bonds (distance) P-C4' energy: -99.264 flat angles C4'-P-C4' energy: -116.290 flat angles P-C4'-P energy: -78.730 tors. eta vs tors. theta energy: -172.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1858.116726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.116726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.116726 (E_RNA) where: Base-Base interactions energy: -1336.332 where: short stacking energy: -590.348 Base-Backbone interact. energy: -1.826 local terms energy: -519.959027 where: bonds (distance) C4'-P energy: -94.679 bonds (distance) P-C4' energy: -92.815 flat angles C4'-P-C4' energy: -112.332 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -150.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1844.329880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.329880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.329880 (E_RNA) where: Base-Base interactions energy: -1329.847 where: short stacking energy: -599.500 Base-Backbone interact. energy: -2.663 local terms energy: -511.819772 where: bonds (distance) C4'-P energy: -87.494 bonds (distance) P-C4' energy: -77.095 flat angles C4'-P-C4' energy: -113.646 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: -163.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1773.161511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.161511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.161511 (E_RNA) where: Base-Base interactions energy: -1281.814 where: short stacking energy: -576.929 Base-Backbone interact. energy: -2.953 local terms energy: -488.394683 where: bonds (distance) C4'-P energy: -86.076 bonds (distance) P-C4' energy: -76.230 flat angles C4'-P-C4' energy: -103.634 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -158.680 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: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1707.986507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.986507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.986507 (E_RNA) where: Base-Base interactions energy: -1232.311 where: short stacking energy: -540.961 Base-Backbone interact. energy: -1.538 local terms energy: -474.136827 where: bonds (distance) C4'-P energy: -82.601 bonds (distance) P-C4' energy: -84.222 flat angles C4'-P-C4' energy: -97.068 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -147.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1554.572616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.572616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.572616 (E_RNA) where: Base-Base interactions energy: -1114.100 where: short stacking energy: -515.116 Base-Backbone interact. energy: -1.116 local terms energy: -439.356540 where: bonds (distance) C4'-P energy: -87.881 bonds (distance) P-C4' energy: -78.673 flat angles C4'-P-C4' energy: -93.381 flat angles P-C4'-P energy: -56.351 tors. eta vs tors. theta energy: -123.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1604.850671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.850671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.850671 (E_RNA) where: Base-Base interactions energy: -1137.554 where: short stacking energy: -501.454 Base-Backbone interact. energy: -1.450 local terms energy: -465.847082 where: bonds (distance) C4'-P energy: -76.440 bonds (distance) P-C4' energy: -88.608 flat angles C4'-P-C4' energy: -101.412 flat angles P-C4'-P energy: -61.378 tors. eta vs tors. theta energy: -138.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1508.179468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.179468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.179468 (E_RNA) where: Base-Base interactions energy: -1077.802 where: short stacking energy: -493.130 Base-Backbone interact. energy: -1.988 local terms energy: -428.389798 where: bonds (distance) C4'-P energy: -74.017 bonds (distance) P-C4' energy: -79.554 flat angles C4'-P-C4' energy: -98.056 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -131.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1337.875267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.875267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.875267 (E_RNA) where: Base-Base interactions energy: -933.848 where: short stacking energy: -456.920 Base-Backbone interact. energy: -0.970 local terms energy: -403.057090 where: bonds (distance) C4'-P energy: -63.397 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -94.157 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -118.042 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: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1384.502643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.502643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.502643 (E_RNA) where: Base-Base interactions energy: -1020.440 where: short stacking energy: -448.150 Base-Backbone interact. energy: -3.066 local terms energy: -360.996795 where: bonds (distance) C4'-P energy: -60.731 bonds (distance) P-C4' energy: -62.645 flat angles C4'-P-C4' energy: -70.563 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: -109.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1957.815190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.815190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.815190 (E_RNA) where: Base-Base interactions energy: -1406.144 where: short stacking energy: -651.196 Base-Backbone interact. energy: -0.969 local terms energy: -550.701812 where: bonds (distance) C4'-P energy: -94.905 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -112.018 flat angles P-C4'-P energy: -79.719 tors. eta vs tors. theta energy: -166.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1885.859998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.859998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.859998 (E_RNA) where: Base-Base interactions energy: -1360.302 where: short stacking energy: -615.359 Base-Backbone interact. energy: -1.192 local terms energy: -524.365793 where: bonds (distance) C4'-P energy: -82.875 bonds (distance) P-C4' energy: -85.349 flat angles C4'-P-C4' energy: -117.152 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -167.846 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: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1813.162433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.162433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.162433 (E_RNA) where: Base-Base interactions energy: -1296.565 where: short stacking energy: -586.343 Base-Backbone interact. energy: -0.795 local terms energy: -515.802260 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -97.179 flat angles C4'-P-C4' energy: -112.549 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -150.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1743.522997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.522997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.522997 (E_RNA) where: Base-Base interactions energy: -1249.569 where: short stacking energy: -551.477 Base-Backbone interact. energy: -0.247 local terms energy: -493.706333 where: bonds (distance) C4'-P energy: -79.422 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -151.397 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: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1744.498414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.498414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.498414 (E_RNA) where: Base-Base interactions energy: -1246.088 where: short stacking energy: -574.021 Base-Backbone interact. energy: -0.102 local terms energy: -498.308754 where: bonds (distance) C4'-P energy: -79.779 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -99.335 flat angles P-C4'-P energy: -67.274 tors. eta vs tors. theta energy: -157.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1650.949012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.949012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.949012 (E_RNA) where: Base-Base interactions energy: -1187.770 where: short stacking energy: -546.863 Base-Backbone interact. energy: 0.034 local terms energy: -463.213278 where: bonds (distance) C4'-P energy: -71.336 bonds (distance) P-C4' energy: -88.463 flat angles C4'-P-C4' energy: -96.935 flat angles P-C4'-P energy: -64.474 tors. eta vs tors. theta energy: -142.005 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: 275 Temperature: 1.200000 Total energy: -1529.060772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.060772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.060772 (E_RNA) where: Base-Base interactions energy: -1072.937 where: short stacking energy: -485.270 Base-Backbone interact. energy: -2.533 local terms energy: -453.590794 where: bonds (distance) C4'-P energy: -80.584 bonds (distance) P-C4' energy: -75.691 flat angles C4'-P-C4' energy: -89.833 flat angles P-C4'-P energy: -73.762 tors. eta vs tors. theta energy: -133.720 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: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1525.736059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.736059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.736059 (E_RNA) where: Base-Base interactions energy: -1085.804 where: short stacking energy: -483.077 Base-Backbone interact. energy: -1.316 local terms energy: -438.616157 where: bonds (distance) C4'-P energy: -71.359 bonds (distance) P-C4' energy: -76.727 flat angles C4'-P-C4' energy: -98.438 flat angles P-C4'-P energy: -57.276 tors. eta vs tors. theta energy: -134.817 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: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1311.900746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.900746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.900746 (E_RNA) where: Base-Base interactions energy: -900.560 where: short stacking energy: -437.423 Base-Backbone interact. energy: -1.582 local terms energy: -409.758621 where: bonds (distance) C4'-P energy: -73.047 bonds (distance) P-C4' energy: -82.617 flat angles C4'-P-C4' energy: -90.663 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -108.631 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: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1369.330413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.330413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.330413 (E_RNA) where: Base-Base interactions energy: -979.834 where: short stacking energy: -461.114 Base-Backbone interact. energy: 0.203 local terms energy: -389.699650 where: bonds (distance) C4'-P energy: -65.451 bonds (distance) P-C4' energy: -68.394 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -49.213 tors. eta vs tors. theta energy: -118.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1969.160213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.160213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.160213 (E_RNA) where: Base-Base interactions energy: -1417.634 where: short stacking energy: -643.083 Base-Backbone interact. energy: -1.441 local terms energy: -550.085006 where: bonds (distance) C4'-P energy: -98.603 bonds (distance) P-C4' energy: -89.315 flat angles C4'-P-C4' energy: -111.074 flat angles P-C4'-P energy: -79.779 tors. eta vs tors. theta energy: -171.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1909.162944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.162944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.162944 (E_RNA) where: Base-Base interactions energy: -1375.468 where: short stacking energy: -636.674 Base-Backbone interact. energy: -0.808 local terms energy: -532.887009 where: bonds (distance) C4'-P energy: -97.595 bonds (distance) P-C4' energy: -89.617 flat angles C4'-P-C4' energy: -114.528 flat angles P-C4'-P energy: -71.487 tors. eta vs tors. theta energy: -159.660 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: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1813.060460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.060460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.060460 (E_RNA) where: Base-Base interactions energy: -1310.839 where: short stacking energy: -580.211 Base-Backbone interact. energy: -1.867 local terms energy: -500.354599 where: bonds (distance) C4'-P energy: -73.848 bonds (distance) P-C4' energy: -97.116 flat angles C4'-P-C4' energy: -109.045 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -149.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1734.597122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.597122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.597122 (E_RNA) where: Base-Base interactions energy: -1232.028 where: short stacking energy: -550.435 Base-Backbone interact. energy: -2.520 local terms energy: -500.049499 where: bonds (distance) C4'-P energy: -89.832 bonds (distance) P-C4' energy: -89.183 flat angles C4'-P-C4' energy: -105.725 flat angles P-C4'-P energy: -65.542 tors. eta vs tors. theta energy: -149.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1733.675937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.675937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.675937 (E_RNA) where: Base-Base interactions energy: -1236.895 where: short stacking energy: -553.227 Base-Backbone interact. energy: -0.649 local terms energy: -496.132065 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -85.800 flat angles C4'-P-C4' energy: -105.015 flat angles P-C4'-P energy: -74.960 tors. eta vs tors. theta energy: -145.788 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: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1655.997139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.997139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.997139 (E_RNA) where: Base-Base interactions energy: -1197.405 where: short stacking energy: -556.918 Base-Backbone interact. energy: -1.934 local terms energy: -456.657872 where: bonds (distance) C4'-P energy: -81.783 bonds (distance) P-C4' energy: -84.036 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -48.762 tors. eta vs tors. theta energy: -146.721 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: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1586.438049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.438049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.438049 (E_RNA) where: Base-Base interactions energy: -1139.437 where: short stacking energy: -478.511 Base-Backbone interact. energy: 0.790 local terms energy: -447.790965 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -74.945 flat angles C4'-P-C4' energy: -104.308 flat angles P-C4'-P energy: -62.409 tors. eta vs tors. theta energy: -130.984 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: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1505.203433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.203433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.203433 (E_RNA) where: Base-Base interactions energy: -1096.699 where: short stacking energy: -510.672 Base-Backbone interact. energy: 0.330 local terms energy: -408.834729 where: bonds (distance) C4'-P energy: -65.938 bonds (distance) P-C4' energy: -66.388 flat angles C4'-P-C4' energy: -89.390 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -132.122 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: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1445.753692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.753692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.753692 (E_RNA) where: Base-Base interactions energy: -1053.192 where: short stacking energy: -471.301 Base-Backbone interact. energy: -1.164 local terms energy: -391.397781 where: bonds (distance) C4'-P energy: -65.779 bonds (distance) P-C4' energy: -80.218 flat angles C4'-P-C4' energy: -88.071 flat angles P-C4'-P energy: -47.312 tors. eta vs tors. theta energy: -110.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1266.883548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.883548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.883548 (E_RNA) where: Base-Base interactions energy: -884.038 where: short stacking energy: -408.779 Base-Backbone interact. energy: -0.817 local terms energy: -382.029111 where: bonds (distance) C4'-P energy: -69.274 bonds (distance) P-C4' energy: -51.709 flat angles C4'-P-C4' energy: -94.359 flat angles P-C4'-P energy: -63.251 tors. eta vs tors. theta energy: -103.437 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: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1959.415345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.415345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.415345 (E_RNA) where: Base-Base interactions energy: -1397.929 where: short stacking energy: -627.559 Base-Backbone interact. energy: -1.495 local terms energy: -559.991402 where: bonds (distance) C4'-P energy: -100.651 bonds (distance) P-C4' energy: -92.215 flat angles C4'-P-C4' energy: -115.688 flat angles P-C4'-P energy: -81.758 tors. eta vs tors. theta energy: -169.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1890.385333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.385333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.385333 (E_RNA) where: Base-Base interactions energy: -1359.594 where: short stacking energy: -619.104 Base-Backbone interact. energy: -0.603 local terms energy: -530.188308 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -89.402 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -72.681 tors. eta vs tors. theta energy: -160.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1824.275447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.275447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.275447 (E_RNA) where: Base-Base interactions energy: -1316.283 where: short stacking energy: -590.483 Base-Backbone interact. energy: -2.735 local terms energy: -505.257608 where: bonds (distance) C4'-P energy: -80.071 bonds (distance) P-C4' energy: -93.342 flat angles C4'-P-C4' energy: -108.232 flat angles P-C4'-P energy: -64.951 tors. eta vs tors. theta energy: -158.662 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: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1725.935767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.935767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.935767 (E_RNA) where: Base-Base interactions energy: -1228.466 where: short stacking energy: -550.515 Base-Backbone interact. energy: -2.597 local terms energy: -494.872802 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -97.053 flat angles C4'-P-C4' energy: -107.693 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -143.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1726.339659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.339659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.339659 (E_RNA) where: Base-Base interactions energy: -1255.220 where: short stacking energy: -559.720 Base-Backbone interact. energy: -3.586 local terms energy: -467.533624 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -96.873 flat angles P-C4'-P energy: -59.747 tors. eta vs tors. theta energy: -147.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1657.774163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.774163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.774163 (E_RNA) where: Base-Base interactions energy: -1199.484 where: short stacking energy: -551.002 Base-Backbone interact. energy: -0.278 local terms energy: -458.011810 where: bonds (distance) C4'-P energy: -78.281 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -97.081 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -136.031 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: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1569.135252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.135252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.135252 (E_RNA) where: Base-Base interactions energy: -1142.754 where: short stacking energy: -525.179 Base-Backbone interact. energy: 1.696 local terms energy: -428.077227 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -68.096 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -68.256 tors. eta vs tors. theta energy: -133.404 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: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1510.392716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.392716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.392716 (E_RNA) where: Base-Base interactions energy: -1087.842 where: short stacking energy: -505.546 Base-Backbone interact. energy: -1.501 local terms energy: -421.049685 where: bonds (distance) C4'-P energy: -68.695 bonds (distance) P-C4' energy: -70.584 flat angles C4'-P-C4' energy: -97.690 flat angles P-C4'-P energy: -54.446 tors. eta vs tors. theta energy: -129.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1457.089396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.089396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.089396 (E_RNA) where: Base-Base interactions energy: -1040.836 where: short stacking energy: -488.765 Base-Backbone interact. energy: 5.827 local terms energy: -422.080272 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -89.394 flat angles P-C4'-P energy: -45.072 tors. eta vs tors. theta energy: -119.587 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: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1327.276525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.276525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.276525 (E_RNA) where: Base-Base interactions energy: -923.519 where: short stacking energy: -445.374 Base-Backbone interact. energy: 3.830 local terms energy: -407.587932 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -79.387 flat angles C4'-P-C4' energy: -88.508 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -109.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1987.236771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.236771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.236771 (E_RNA) where: Base-Base interactions energy: -1433.727 where: short stacking energy: -651.070 Base-Backbone interact. energy: -1.370 local terms energy: -552.139024 where: bonds (distance) C4'-P energy: -99.147 bonds (distance) P-C4' energy: -80.722 flat angles C4'-P-C4' energy: -114.926 flat angles P-C4'-P energy: -85.801 tors. eta vs tors. theta energy: -171.542 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: 278 Temperature: 0.950000 Total energy: -1909.677355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.677355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.677355 (E_RNA) where: Base-Base interactions energy: -1371.733 where: short stacking energy: -611.561 Base-Backbone interact. energy: -2.950 local terms energy: -534.994051 where: bonds (distance) C4'-P energy: -92.186 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -115.854 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -160.451 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1838.412124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.412124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.412124 (E_RNA) where: Base-Base interactions energy: -1327.523 where: short stacking energy: -587.080 Base-Backbone interact. energy: -2.185 local terms energy: -508.704240 where: bonds (distance) C4'-P energy: -76.664 bonds (distance) P-C4' energy: -101.784 flat angles C4'-P-C4' energy: -99.208 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -156.458 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: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1743.472129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.472129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.472129 (E_RNA) where: Base-Base interactions energy: -1270.287 where: short stacking energy: -573.311 Base-Backbone interact. energy: -1.764 local terms energy: -471.421166 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -75.842 flat angles C4'-P-C4' energy: -102.302 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: -151.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1738.560277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.560277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.560277 (E_RNA) where: Base-Base interactions energy: -1245.028 where: short stacking energy: -547.446 Base-Backbone interact. energy: -4.197 local terms energy: -489.335462 where: bonds (distance) C4'-P energy: -79.618 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -105.362 flat angles P-C4'-P energy: -65.345 tors. eta vs tors. theta energy: -144.924 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: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1643.291135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.291135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.291135 (E_RNA) where: Base-Base interactions energy: -1169.939 where: short stacking energy: -538.182 Base-Backbone interact. energy: 0.381 local terms energy: -473.733655 where: bonds (distance) C4'-P energy: -76.374 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -99.777 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -146.346 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: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1535.659814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.659814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.659814 (E_RNA) where: Base-Base interactions energy: -1103.705 where: short stacking energy: -485.978 Base-Backbone interact. energy: -1.940 local terms energy: -430.014444 where: bonds (distance) C4'-P energy: -66.830 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -64.405 tors. eta vs tors. theta energy: -126.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1526.833695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.833695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.833695 (E_RNA) where: Base-Base interactions energy: -1105.067 where: short stacking energy: -479.331 Base-Backbone interact. energy: -0.440 local terms energy: -421.326779 where: bonds (distance) C4'-P energy: -71.124 bonds (distance) P-C4' energy: -76.654 flat angles C4'-P-C4' energy: -94.451 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: -123.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1468.012506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.012506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.012506 (E_RNA) where: Base-Base interactions energy: -1054.890 where: short stacking energy: -491.333 Base-Backbone interact. energy: 2.327 local terms energy: -415.449473 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -81.881 flat angles C4'-P-C4' energy: -90.325 flat angles P-C4'-P energy: -59.055 tors. eta vs tors. theta energy: -129.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1326.934871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.934871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.934871 (E_RNA) where: Base-Base interactions energy: -925.813 where: short stacking energy: -448.686 Base-Backbone interact. energy: -1.737 local terms energy: -399.385632 where: bonds (distance) C4'-P energy: -76.929 bonds (distance) P-C4' energy: -64.930 flat angles C4'-P-C4' energy: -93.114 flat angles P-C4'-P energy: -54.688 tors. eta vs tors. theta energy: -109.724 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: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1986.689556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.689556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.689556 (E_RNA) where: Base-Base interactions energy: -1441.718 where: short stacking energy: -660.722 Base-Backbone interact. energy: -1.889 local terms energy: -543.082344 where: bonds (distance) C4'-P energy: -85.315 bonds (distance) P-C4' energy: -89.190 flat angles C4'-P-C4' energy: -113.558 flat angles P-C4'-P energy: -84.627 tors. eta vs tors. theta energy: -170.393 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: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1894.127074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.127074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.127074 (E_RNA) where: Base-Base interactions energy: -1367.303 where: short stacking energy: -624.824 Base-Backbone interact. energy: -0.565 local terms energy: -526.258635 where: bonds (distance) C4'-P energy: -100.485 bonds (distance) P-C4' energy: -81.312 flat angles C4'-P-C4' energy: -106.805 flat angles P-C4'-P energy: -72.936 tors. eta vs tors. theta energy: -164.721 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: 3, replica: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1839.428876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.428876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.428876 (E_RNA) where: Base-Base interactions energy: -1325.001 where: short stacking energy: -594.302 Base-Backbone interact. energy: -2.920 local terms energy: -511.507825 where: bonds (distance) C4'-P energy: -87.662 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: -163.310 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: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1797.216894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.216894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.216894 (E_RNA) where: Base-Base interactions energy: -1289.615 where: short stacking energy: -604.937 Base-Backbone interact. energy: -1.774 local terms energy: -505.828459 where: bonds (distance) C4'-P energy: -85.767 bonds (distance) P-C4' energy: -79.294 flat angles C4'-P-C4' energy: -108.096 flat angles P-C4'-P energy: -79.567 tors. eta vs tors. theta energy: -153.106 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: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1698.670192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.670192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.670192 (E_RNA) where: Base-Base interactions energy: -1222.666 where: short stacking energy: -569.106 Base-Backbone interact. energy: -2.416 local terms energy: -473.587618 where: bonds (distance) C4'-P energy: -79.472 bonds (distance) P-C4' energy: -77.767 flat angles C4'-P-C4' energy: -102.951 flat angles P-C4'-P energy: -61.227 tors. eta vs tors. theta energy: -152.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1684.390369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.390369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.390369 (E_RNA) where: Base-Base interactions energy: -1207.346 where: short stacking energy: -550.816 Base-Backbone interact. energy: -1.373 local terms energy: -475.671541 where: bonds (distance) C4'-P energy: -81.643 bonds (distance) P-C4' energy: -76.303 flat angles C4'-P-C4' energy: -100.304 flat angles P-C4'-P energy: -64.587 tors. eta vs tors. theta energy: -152.834 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: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1540.645187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.645187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.645187 (E_RNA) where: Base-Base interactions energy: -1098.119 where: short stacking energy: -487.360 Base-Backbone interact. energy: -1.578 local terms energy: -440.948485 where: bonds (distance) C4'-P energy: -82.949 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -94.061 flat angles P-C4'-P energy: -63.464 tors. eta vs tors. theta energy: -135.656 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: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1545.723217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.723217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.723217 (E_RNA) where: Base-Base interactions energy: -1099.886 where: short stacking energy: -513.067 Base-Backbone interact. energy: -0.388 local terms energy: -445.448875 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -70.432 flat angles C4'-P-C4' energy: -101.654 flat angles P-C4'-P energy: -57.632 tors. eta vs tors. theta energy: -136.424 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: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1404.323232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.323232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.323232 (E_RNA) where: Base-Base interactions energy: -1012.616 where: short stacking energy: -450.179 Base-Backbone interact. energy: -0.776 local terms energy: -390.930550 where: bonds (distance) C4'-P energy: -76.354 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -99.516 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -115.252 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: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1286.751773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.751773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.751773 (E_RNA) where: Base-Base interactions energy: -884.209 where: short stacking energy: -434.991 Base-Backbone interact. energy: -3.327 local terms energy: -399.215663 where: bonds (distance) C4'-P energy: -70.339 bonds (distance) P-C4' energy: -73.771 flat angles C4'-P-C4' energy: -88.117 flat angles P-C4'-P energy: -50.274 tors. eta vs tors. theta energy: -116.714 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: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1983.846166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.846166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.846166 (E_RNA) where: Base-Base interactions energy: -1441.785 where: short stacking energy: -657.793 Base-Backbone interact. energy: -1.259 local terms energy: -540.802508 where: bonds (distance) C4'-P energy: -90.509 bonds (distance) P-C4' energy: -93.395 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -78.202 tors. eta vs tors. theta energy: -171.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1885.478183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.478183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.478183 (E_RNA) where: Base-Base interactions energy: -1337.530 where: short stacking energy: -602.726 Base-Backbone interact. energy: -0.695 local terms energy: -547.252661 where: bonds (distance) C4'-P energy: -93.332 bonds (distance) P-C4' energy: -93.342 flat angles C4'-P-C4' energy: -110.566 flat angles P-C4'-P energy: -85.737 tors. eta vs tors. theta energy: -164.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1819.235793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.235793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.235793 (E_RNA) where: Base-Base interactions energy: -1289.660 where: short stacking energy: -591.701 Base-Backbone interact. energy: 1.692 local terms energy: -531.267669 where: bonds (distance) C4'-P energy: -97.446 bonds (distance) P-C4' energy: -94.693 flat angles C4'-P-C4' energy: -103.684 flat angles P-C4'-P energy: -71.643 tors. eta vs tors. theta energy: -163.802 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1817.951916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.951916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.951916 (E_RNA) where: Base-Base interactions energy: -1295.688 where: short stacking energy: -586.541 Base-Backbone interact. energy: -5.449 local terms energy: -516.814286 where: bonds (distance) C4'-P energy: -91.678 bonds (distance) P-C4' energy: -87.220 flat angles C4'-P-C4' energy: -109.048 flat angles P-C4'-P energy: -75.355 tors. eta vs tors. theta energy: -153.513 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: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1699.070159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.070159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.070159 (E_RNA) where: Base-Base interactions energy: -1204.341 where: short stacking energy: -541.727 Base-Backbone interact. energy: -1.767 local terms energy: -492.962814 where: bonds (distance) C4'-P energy: -88.400 bonds (distance) P-C4' energy: -80.345 flat angles C4'-P-C4' energy: -102.547 flat angles P-C4'-P energy: -71.510 tors. eta vs tors. theta energy: -150.160 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: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1667.900149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.900149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.900149 (E_RNA) where: Base-Base interactions energy: -1176.406 where: short stacking energy: -560.380 Base-Backbone interact. energy: 0.400 local terms energy: -491.894495 where: bonds (distance) C4'-P energy: -92.238 bonds (distance) P-C4' energy: -90.992 flat angles C4'-P-C4' energy: -96.500 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -147.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1590.287055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.287055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.287055 (E_RNA) where: Base-Base interactions energy: -1125.206 where: short stacking energy: -504.842 Base-Backbone interact. energy: -1.190 local terms energy: -463.891842 where: bonds (distance) C4'-P energy: -82.727 bonds (distance) P-C4' energy: -83.218 flat angles C4'-P-C4' energy: -98.353 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: -134.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1470.944882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.944882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.944882 (E_RNA) where: Base-Base interactions energy: -1045.816 where: short stacking energy: -470.310 Base-Backbone interact. energy: -2.254 local terms energy: -422.874643 where: bonds (distance) C4'-P energy: -79.080 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -99.565 flat angles P-C4'-P energy: -57.543 tors. eta vs tors. theta energy: -125.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1407.794875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.794875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.794875 (E_RNA) where: Base-Base interactions energy: -988.701 where: short stacking energy: -458.850 Base-Backbone interact. energy: -2.336 local terms energy: -416.757681 where: bonds (distance) C4'-P energy: -74.061 bonds (distance) P-C4' energy: -88.643 flat angles C4'-P-C4' energy: -88.689 flat angles P-C4'-P energy: -45.222 tors. eta vs tors. theta energy: -120.143 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: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1372.255863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.255863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.255863 (E_RNA) where: Base-Base interactions energy: -1006.241 where: short stacking energy: -437.791 Base-Backbone interact. energy: 0.742 local terms energy: -366.756869 where: bonds (distance) C4'-P energy: -59.717 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -92.413 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -112.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1944.637613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.637613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.637613 (E_RNA) where: Base-Base interactions energy: -1394.171 where: short stacking energy: -626.596 Base-Backbone interact. energy: -1.425 local terms energy: -549.041894 where: bonds (distance) C4'-P energy: -96.750 bonds (distance) P-C4' energy: -91.741 flat angles C4'-P-C4' energy: -117.537 flat angles P-C4'-P energy: -79.244 tors. eta vs tors. theta energy: -163.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1881.057752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.057752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.057752 (E_RNA) where: Base-Base interactions energy: -1336.067 where: short stacking energy: -606.866 Base-Backbone interact. energy: -1.611 local terms energy: -543.380313 where: bonds (distance) C4'-P energy: -92.102 bonds (distance) P-C4' energy: -93.975 flat angles C4'-P-C4' energy: -118.877 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -164.414 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: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1806.878030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.878030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.878030 (E_RNA) where: Base-Base interactions energy: -1287.689 where: short stacking energy: -585.554 Base-Backbone interact. energy: 0.639 local terms energy: -519.827875 where: bonds (distance) C4'-P energy: -98.342 bonds (distance) P-C4' energy: -97.431 flat angles C4'-P-C4' energy: -104.172 flat angles P-C4'-P energy: -58.978 tors. eta vs tors. theta energy: -160.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1814.289256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.289256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.289256 (E_RNA) where: Base-Base interactions energy: -1310.239 where: short stacking energy: -582.794 Base-Backbone interact. energy: -4.192 local terms energy: -499.858698 where: bonds (distance) C4'-P energy: -80.298 bonds (distance) P-C4' energy: -94.470 flat angles C4'-P-C4' energy: -108.736 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: -157.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1698.564982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.564982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.564982 (E_RNA) where: Base-Base interactions energy: -1215.204 where: short stacking energy: -565.790 Base-Backbone interact. energy: -1.009 local terms energy: -482.352110 where: bonds (distance) C4'-P energy: -78.226 bonds (distance) P-C4' energy: -84.812 flat angles C4'-P-C4' energy: -99.977 flat angles P-C4'-P energy: -70.699 tors. eta vs tors. theta energy: -148.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1674.742210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.742210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.742210 (E_RNA) where: Base-Base interactions energy: -1172.398 where: short stacking energy: -525.589 Base-Backbone interact. energy: -3.321 local terms energy: -499.023649 where: bonds (distance) C4'-P energy: -87.349 bonds (distance) P-C4' energy: -92.131 flat angles C4'-P-C4' energy: -105.953 flat angles P-C4'-P energy: -69.695 tors. eta vs tors. theta energy: -143.895 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: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1558.093247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.093247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.093247 (E_RNA) where: Base-Base interactions energy: -1117.818 where: short stacking energy: -508.751 Base-Backbone interact. energy: -0.294 local terms energy: -439.981104 where: bonds (distance) C4'-P energy: -66.626 bonds (distance) P-C4' energy: -71.605 flat angles C4'-P-C4' energy: -98.369 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -142.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1464.373527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.373527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.373527 (E_RNA) where: Base-Base interactions energy: -1045.636 where: short stacking energy: -482.991 Base-Backbone interact. energy: 2.418 local terms energy: -421.156079 where: bonds (distance) C4'-P energy: -65.613 bonds (distance) P-C4' energy: -86.608 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -119.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1393.722896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.722896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.722896 (E_RNA) where: Base-Base interactions energy: -999.160 where: short stacking energy: -442.933 Base-Backbone interact. energy: 2.198 local terms energy: -396.761250 where: bonds (distance) C4'-P energy: -67.281 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -50.070 tors. eta vs tors. theta energy: -110.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1422.974090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.974090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.974090 (E_RNA) where: Base-Base interactions energy: -1014.087 where: short stacking energy: -471.525 Base-Backbone interact. energy: -2.443 local terms energy: -406.443817 where: bonds (distance) C4'-P energy: -72.626 bonds (distance) P-C4' energy: -83.012 flat angles C4'-P-C4' energy: -94.018 flat angles P-C4'-P energy: -44.297 tors. eta vs tors. theta energy: -112.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1954.277735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.277735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.277735 (E_RNA) where: Base-Base interactions energy: -1401.795 where: short stacking energy: -637.025 Base-Backbone interact. energy: -1.483 local terms energy: -550.999715 where: bonds (distance) C4'-P energy: -85.323 bonds (distance) P-C4' energy: -97.091 flat angles C4'-P-C4' energy: -115.465 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: -168.127 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: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1889.898715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.898715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.898715 (E_RNA) where: Base-Base interactions energy: -1354.556 where: short stacking energy: -597.403 Base-Backbone interact. energy: -1.878 local terms energy: -533.464615 where: bonds (distance) C4'-P energy: -96.781 bonds (distance) P-C4' energy: -99.649 flat angles C4'-P-C4' energy: -99.282 flat angles P-C4'-P energy: -68.567 tors. eta vs tors. theta energy: -169.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1815.329815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.329815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.329815 (E_RNA) where: Base-Base interactions energy: -1301.518 where: short stacking energy: -584.132 Base-Backbone interact. energy: -1.802 local terms energy: -512.010088 where: bonds (distance) C4'-P energy: -84.550 bonds (distance) P-C4' energy: -73.284 flat angles C4'-P-C4' energy: -111.912 flat angles P-C4'-P energy: -82.302 tors. eta vs tors. theta energy: -159.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1786.288210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.288210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.288210 (E_RNA) where: Base-Base interactions energy: -1274.907 where: short stacking energy: -558.033 Base-Backbone interact. energy: -2.863 local terms energy: -508.518678 where: bonds (distance) C4'-P energy: -91.166 bonds (distance) P-C4' energy: -90.320 flat angles C4'-P-C4' energy: -108.277 flat angles P-C4'-P energy: -66.049 tors. eta vs tors. theta energy: -152.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1711.865537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.865537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.865537 (E_RNA) where: Base-Base interactions energy: -1220.644 where: short stacking energy: -571.746 Base-Backbone interact. energy: 0.958 local terms energy: -492.179538 where: bonds (distance) C4'-P energy: -86.107 bonds (distance) P-C4' energy: -89.810 flat angles C4'-P-C4' energy: -99.249 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -155.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1701.598143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.598143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.598143 (E_RNA) where: Base-Base interactions energy: -1217.535 where: short stacking energy: -568.447 Base-Backbone interact. energy: -2.123 local terms energy: -481.940291 where: bonds (distance) C4'-P energy: -73.569 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -99.929 flat angles P-C4'-P energy: -72.086 tors. eta vs tors. theta energy: -146.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1587.211517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.211517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.211517 (E_RNA) where: Base-Base interactions energy: -1118.901 where: short stacking energy: -500.881 Base-Backbone interact. energy: -0.512 local terms energy: -467.798300 where: bonds (distance) C4'-P energy: -79.765 bonds (distance) P-C4' energy: -79.380 flat angles C4'-P-C4' energy: -97.947 flat angles P-C4'-P energy: -71.534 tors. eta vs tors. theta energy: -139.173 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: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1511.610588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.610588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.610588 (E_RNA) where: Base-Base interactions energy: -1059.128 where: short stacking energy: -504.229 Base-Backbone interact. energy: -0.583 local terms energy: -451.899304 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -76.734 flat angles C4'-P-C4' energy: -92.583 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: -128.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1426.176085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.176085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.176085 (E_RNA) where: Base-Base interactions energy: -1001.311 where: short stacking energy: -468.200 Base-Backbone interact. energy: -1.925 local terms energy: -422.939891 where: bonds (distance) C4'-P energy: -86.572 bonds (distance) P-C4' energy: -76.460 flat angles C4'-P-C4' energy: -90.441 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -114.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1367.632509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.632509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.632509 (E_RNA) where: Base-Base interactions energy: -978.154 where: short stacking energy: -463.735 Base-Backbone interact. energy: 1.637 local terms energy: -391.116453 where: bonds (distance) C4'-P energy: -77.056 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -115.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1963.665842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.665842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.665842 (E_RNA) where: Base-Base interactions energy: -1403.973 where: short stacking energy: -638.596 Base-Backbone interact. energy: 0.751 local terms energy: -560.444325 where: bonds (distance) C4'-P energy: -100.749 bonds (distance) P-C4' energy: -99.649 flat angles C4'-P-C4' energy: -115.042 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -169.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1903.526739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.526739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.526739 (E_RNA) where: Base-Base interactions energy: -1362.697 where: short stacking energy: -621.230 Base-Backbone interact. energy: -0.571 local terms energy: -540.257771 where: bonds (distance) C4'-P energy: -95.193 bonds (distance) P-C4' energy: -101.031 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -72.964 tors. eta vs tors. theta energy: -167.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1826.072536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.072536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.072536 (E_RNA) where: Base-Base interactions energy: -1318.178 where: short stacking energy: -593.992 Base-Backbone interact. energy: -0.620 local terms energy: -507.275019 where: bonds (distance) C4'-P energy: -83.104 bonds (distance) P-C4' energy: -88.784 flat angles C4'-P-C4' energy: -101.232 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -161.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1777.147935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.147935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.147935 (E_RNA) where: Base-Base interactions energy: -1283.440 where: short stacking energy: -562.016 Base-Backbone interact. energy: -1.444 local terms energy: -492.264427 where: bonds (distance) C4'-P energy: -69.155 bonds (distance) P-C4' energy: -90.873 flat angles C4'-P-C4' energy: -113.058 flat angles P-C4'-P energy: -71.684 tors. eta vs tors. theta energy: -147.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1720.281619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.281619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.281619 (E_RNA) where: Base-Base interactions energy: -1216.893 where: short stacking energy: -569.361 Base-Backbone interact. energy: -1.026 local terms energy: -502.362618 where: bonds (distance) C4'-P energy: -98.819 bonds (distance) P-C4' energy: -82.262 flat angles C4'-P-C4' energy: -96.020 flat angles P-C4'-P energy: -70.060 tors. eta vs tors. theta energy: -155.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1694.732874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.732874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.732874 (E_RNA) where: Base-Base interactions energy: -1217.075 where: short stacking energy: -565.872 Base-Backbone interact. energy: -0.697 local terms energy: -476.960957 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -90.858 flat angles C4'-P-C4' energy: -101.271 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -146.901 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: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1602.326044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.326044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.326044 (E_RNA) where: Base-Base interactions energy: -1159.823 where: short stacking energy: -532.905 Base-Backbone interact. energy: -0.390 local terms energy: -442.112653 where: bonds (distance) C4'-P energy: -59.180 bonds (distance) P-C4' energy: -92.485 flat angles C4'-P-C4' energy: -93.041 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -143.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1435.844644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.844644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.844644 (E_RNA) where: Base-Base interactions energy: -1029.103 where: short stacking energy: -460.939 Base-Backbone interact. energy: -2.618 local terms energy: -404.123649 where: bonds (distance) C4'-P energy: -75.161 bonds (distance) P-C4' energy: -71.880 flat angles C4'-P-C4' energy: -82.194 flat angles P-C4'-P energy: -66.524 tors. eta vs tors. theta energy: -108.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1435.940983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.940983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.940983 (E_RNA) where: Base-Base interactions energy: -1033.899 where: short stacking energy: -480.983 Base-Backbone interact. energy: 3.931 local terms energy: -405.973122 where: bonds (distance) C4'-P energy: -68.208 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -84.411 flat angles P-C4'-P energy: -62.439 tors. eta vs tors. theta energy: -124.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1269.406330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.406330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.406330 (E_RNA) where: Base-Base interactions energy: -888.913 where: short stacking energy: -410.181 Base-Backbone interact. energy: 0.755 local terms energy: -381.248756 where: bonds (distance) C4'-P energy: -82.103 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -90.147 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -102.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1994.695138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.695138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.695138 (E_RNA) where: Base-Base interactions energy: -1426.266 where: short stacking energy: -649.970 Base-Backbone interact. energy: -3.552 local terms energy: -564.877381 where: bonds (distance) C4'-P energy: -87.481 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -116.943 flat angles P-C4'-P energy: -87.855 tors. eta vs tors. theta energy: -170.425 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: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1905.425047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.425047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.425047 (E_RNA) where: Base-Base interactions energy: -1349.322 where: short stacking energy: -608.760 Base-Backbone interact. energy: -1.794 local terms energy: -554.309106 where: bonds (distance) C4'-P energy: -93.457 bonds (distance) P-C4' energy: -103.506 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -75.474 tors. eta vs tors. theta energy: -169.158 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: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1846.988563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.988563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.988563 (E_RNA) where: Base-Base interactions energy: -1314.334 where: short stacking energy: -577.521 Base-Backbone interact. energy: -3.235 local terms energy: -529.420044 where: bonds (distance) C4'-P energy: -93.174 bonds (distance) P-C4' energy: -100.885 flat angles C4'-P-C4' energy: -113.505 flat angles P-C4'-P energy: -65.662 tors. eta vs tors. theta energy: -156.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1794.516605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.516605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.516605 (E_RNA) where: Base-Base interactions energy: -1295.366 where: short stacking energy: -582.520 Base-Backbone interact. energy: -3.505 local terms energy: -495.644640 where: bonds (distance) C4'-P energy: -85.243 bonds (distance) P-C4' energy: -87.615 flat angles C4'-P-C4' energy: -103.661 flat angles P-C4'-P energy: -70.833 tors. eta vs tors. theta energy: -148.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1720.796791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.796791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.796791 (E_RNA) where: Base-Base interactions energy: -1237.471 where: short stacking energy: -560.248 Base-Backbone interact. energy: -1.901 local terms energy: -481.424530 where: bonds (distance) C4'-P energy: -88.260 bonds (distance) P-C4' energy: -85.696 flat angles C4'-P-C4' energy: -103.594 flat angles P-C4'-P energy: -61.682 tors. eta vs tors. theta energy: -142.192 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: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1684.982982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.982982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.982982 (E_RNA) where: Base-Base interactions energy: -1205.727 where: short stacking energy: -569.546 Base-Backbone interact. energy: -2.542 local terms energy: -476.714782 where: bonds (distance) C4'-P energy: -83.982 bonds (distance) P-C4' energy: -84.970 flat angles C4'-P-C4' energy: -98.024 flat angles P-C4'-P energy: -51.552 tors. eta vs tors. theta energy: -158.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1599.363442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.363442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.363442 (E_RNA) where: Base-Base interactions energy: -1150.611 where: short stacking energy: -490.853 Base-Backbone interact. energy: -0.029 local terms energy: -448.722534 where: bonds (distance) C4'-P energy: -77.790 bonds (distance) P-C4' energy: -74.852 flat angles C4'-P-C4' energy: -101.493 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -136.056 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: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1419.434613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.434613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.434613 (E_RNA) where: Base-Base interactions energy: -987.143 where: short stacking energy: -463.347 Base-Backbone interact. energy: -3.850 local terms energy: -428.441579 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -76.472 flat angles C4'-P-C4' energy: -91.087 flat angles P-C4'-P energy: -67.718 tors. eta vs tors. theta energy: -119.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1502.460127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.460127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.460127 (E_RNA) where: Base-Base interactions energy: -1102.230 where: short stacking energy: -499.990 Base-Backbone interact. energy: -0.386 local terms energy: -399.843779 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -90.506 flat angles P-C4'-P energy: -53.584 tors. eta vs tors. theta energy: -124.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1230.582587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.582587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.582587 (E_RNA) where: Base-Base interactions energy: -860.409 where: short stacking energy: -397.063 Base-Backbone interact. energy: 0.708 local terms energy: -370.881614 where: bonds (distance) C4'-P energy: -67.349 bonds (distance) P-C4' energy: -91.007 flat angles C4'-P-C4' energy: -90.018 flat angles P-C4'-P energy: -36.059 tors. eta vs tors. theta energy: -86.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1966.790264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.790264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.790264 (E_RNA) where: Base-Base interactions energy: -1430.708 where: short stacking energy: -640.988 Base-Backbone interact. energy: -1.997 local terms energy: -534.085257 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -84.247 flat angles C4'-P-C4' energy: -113.769 flat angles P-C4'-P energy: -70.501 tors. eta vs tors. theta energy: -171.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1883.791181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.791181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.791181 (E_RNA) where: Base-Base interactions energy: -1357.369 where: short stacking energy: -616.289 Base-Backbone interact. energy: -1.561 local terms energy: -524.861225 where: bonds (distance) C4'-P energy: -78.708 bonds (distance) P-C4' energy: -92.964 flat angles C4'-P-C4' energy: -107.475 flat angles P-C4'-P energy: -78.996 tors. eta vs tors. theta energy: -166.718 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: 285 Temperature: 1.000000 Total energy: -1806.942805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.942805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.942805 (E_RNA) where: Base-Base interactions energy: -1312.074 where: short stacking energy: -569.810 Base-Backbone interact. energy: -2.876 local terms energy: -491.993104 where: bonds (distance) C4'-P energy: -76.595 bonds (distance) P-C4' energy: -98.125 flat angles C4'-P-C4' energy: -102.660 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: -151.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1812.737023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.737023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.737023 (E_RNA) where: Base-Base interactions energy: -1295.317 where: short stacking energy: -574.166 Base-Backbone interact. energy: -1.491 local terms energy: -515.929038 where: bonds (distance) C4'-P energy: -88.057 bonds (distance) P-C4' energy: -89.856 flat angles C4'-P-C4' energy: -100.847 flat angles P-C4'-P energy: -79.412 tors. eta vs tors. theta energy: -157.758 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: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1689.473756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.473756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.473756 (E_RNA) where: Base-Base interactions energy: -1225.653 where: short stacking energy: -559.107 Base-Backbone interact. energy: -1.118 local terms energy: -462.703544 where: bonds (distance) C4'-P energy: -81.930 bonds (distance) P-C4' energy: -69.376 flat angles C4'-P-C4' energy: -99.821 flat angles P-C4'-P energy: -62.562 tors. eta vs tors. theta energy: -149.015 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: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1667.114469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.114469 (E_RNA) where: Base-Base interactions energy: -1207.480 where: short stacking energy: -531.420 Base-Backbone interact. energy: -0.293 local terms energy: -459.341813 where: bonds (distance) C4'-P energy: -74.530 bonds (distance) P-C4' energy: -79.434 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -61.789 tors. eta vs tors. theta energy: -147.871 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: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1595.274207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.274207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.274207 (E_RNA) where: Base-Base interactions energy: -1139.615 where: short stacking energy: -510.181 Base-Backbone interact. energy: -1.013 local terms energy: -454.645876 where: bonds (distance) C4'-P energy: -78.821 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -102.433 flat angles P-C4'-P energy: -67.220 tors. eta vs tors. theta energy: -138.486 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: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1518.659792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.659792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.659792 (E_RNA) where: Base-Base interactions energy: -1082.104 where: short stacking energy: -487.874 Base-Backbone interact. energy: -1.587 local terms energy: -434.968855 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -66.668 flat angles C4'-P-C4' energy: -91.978 flat angles P-C4'-P energy: -53.160 tors. eta vs tors. theta energy: -127.658 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: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1397.335093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.335093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.335093 (E_RNA) where: Base-Base interactions energy: -991.947 where: short stacking energy: -466.392 Base-Backbone interact. energy: -1.177 local terms energy: -404.211351 where: bonds (distance) C4'-P energy: -75.332 bonds (distance) P-C4' energy: -74.670 flat angles C4'-P-C4' energy: -75.418 flat angles P-C4'-P energy: -55.966 tors. eta vs tors. theta energy: -122.825 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: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1341.381934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.381934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.381934 (E_RNA) where: Base-Base interactions energy: -992.329 where: short stacking energy: -447.270 Base-Backbone interact. energy: -1.137 local terms energy: -347.915986 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -59.835 flat angles C4'-P-C4' energy: -93.719 flat angles P-C4'-P energy: -18.228 tors. eta vs tors. theta energy: -116.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1979.195728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.195728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.195728 (E_RNA) where: Base-Base interactions energy: -1434.106 where: short stacking energy: -652.221 Base-Backbone interact. energy: -0.981 local terms energy: -544.108171 where: bonds (distance) C4'-P energy: -98.347 bonds (distance) P-C4' energy: -96.210 flat angles C4'-P-C4' energy: -108.914 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -166.046 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: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1894.257891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.257891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.257891 (E_RNA) where: Base-Base interactions energy: -1368.310 where: short stacking energy: -607.214 Base-Backbone interact. energy: -2.577 local terms energy: -523.371507 where: bonds (distance) C4'-P energy: -81.132 bonds (distance) P-C4' energy: -96.807 flat angles C4'-P-C4' energy: -109.373 flat angles P-C4'-P energy: -72.480 tors. eta vs tors. theta energy: -163.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1828.465083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.465083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.465083 (E_RNA) where: Base-Base interactions energy: -1313.220 where: short stacking energy: -574.283 Base-Backbone interact. energy: 1.310 local terms energy: -516.555074 where: bonds (distance) C4'-P energy: -96.838 bonds (distance) P-C4' energy: -85.734 flat angles C4'-P-C4' energy: -106.285 flat angles P-C4'-P energy: -69.620 tors. eta vs tors. theta energy: -158.079 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: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1794.013526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.013526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.013526 (E_RNA) where: Base-Base interactions energy: -1277.793 where: short stacking energy: -573.757 Base-Backbone interact. energy: -1.384 local terms energy: -514.836675 where: bonds (distance) C4'-P energy: -85.212 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -102.744 flat angles P-C4'-P energy: -68.410 tors. eta vs tors. theta energy: -159.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1694.562979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.562979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.562979 (E_RNA) where: Base-Base interactions energy: -1228.311 where: short stacking energy: -567.781 Base-Backbone interact. energy: -2.247 local terms energy: -464.005495 where: bonds (distance) C4'-P energy: -78.818 bonds (distance) P-C4' energy: -74.558 flat angles C4'-P-C4' energy: -101.359 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: -151.806 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1675.421105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.421105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.421105 (E_RNA) where: Base-Base interactions energy: -1213.720 where: short stacking energy: -559.141 Base-Backbone interact. energy: 1.875 local terms energy: -463.576276 where: bonds (distance) C4'-P energy: -81.286 bonds (distance) P-C4' energy: -70.457 flat angles C4'-P-C4' energy: -105.730 flat angles P-C4'-P energy: -60.643 tors. eta vs tors. theta energy: -145.460 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: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1594.807450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.807450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.807450 (E_RNA) where: Base-Base interactions energy: -1151.264 where: short stacking energy: -521.916 Base-Backbone interact. energy: -1.967 local terms energy: -441.576869 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -100.987 flat angles P-C4'-P energy: -60.176 tors. eta vs tors. theta energy: -131.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1527.758297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.758297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.758297 (E_RNA) where: Base-Base interactions energy: -1078.620 where: short stacking energy: -492.058 Base-Backbone interact. energy: -2.001 local terms energy: -447.137356 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -81.629 flat angles C4'-P-C4' energy: -93.568 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -135.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1415.648220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.648220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.648220 (E_RNA) where: Base-Base interactions energy: -1014.690 where: short stacking energy: -473.183 Base-Backbone interact. energy: 0.199 local terms energy: -401.157261 where: bonds (distance) C4'-P energy: -63.006 bonds (distance) P-C4' energy: -78.104 flat angles C4'-P-C4' energy: -84.437 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -125.717 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: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1224.605033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.605033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.605033 (E_RNA) where: Base-Base interactions energy: -885.100 where: short stacking energy: -392.316 Base-Backbone interact. energy: 1.959 local terms energy: -341.464408 where: bonds (distance) C4'-P energy: -45.117 bonds (distance) P-C4' energy: -75.501 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -52.642 tors. eta vs tors. theta energy: -97.589 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: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1992.272387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.272387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.272387 (E_RNA) where: Base-Base interactions energy: -1436.839 where: short stacking energy: -653.957 Base-Backbone interact. energy: -1.670 local terms energy: -553.762566 where: bonds (distance) C4'-P energy: -91.653 bonds (distance) P-C4' energy: -100.633 flat angles C4'-P-C4' energy: -116.136 flat angles P-C4'-P energy: -76.947 tors. eta vs tors. theta energy: -168.393 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: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1882.326616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.326616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.326616 (E_RNA) where: Base-Base interactions energy: -1332.567 where: short stacking energy: -602.720 Base-Backbone interact. energy: -1.724 local terms energy: -548.035201 where: bonds (distance) C4'-P energy: -95.933 bonds (distance) P-C4' energy: -103.357 flat angles C4'-P-C4' energy: -108.429 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: -166.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1827.914747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.914747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.914747 (E_RNA) where: Base-Base interactions energy: -1327.734 where: short stacking energy: -573.862 Base-Backbone interact. energy: -2.284 local terms energy: -497.896735 where: bonds (distance) C4'-P energy: -87.348 bonds (distance) P-C4' energy: -84.949 flat angles C4'-P-C4' energy: -105.218 flat angles P-C4'-P energy: -70.344 tors. eta vs tors. theta energy: -150.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1775.872563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.872563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.872563 (E_RNA) where: Base-Base interactions energy: -1280.435 where: short stacking energy: -593.718 Base-Backbone interact. energy: -4.236 local terms energy: -491.201776 where: bonds (distance) C4'-P energy: -83.602 bonds (distance) P-C4' energy: -82.469 flat angles C4'-P-C4' energy: -98.601 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -156.114 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1693.688090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.688090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.688090 (E_RNA) where: Base-Base interactions energy: -1200.460 where: short stacking energy: -536.084 Base-Backbone interact. energy: 0.033 local terms energy: -493.261006 where: bonds (distance) C4'-P energy: -73.796 bonds (distance) P-C4' energy: -85.398 flat angles C4'-P-C4' energy: -109.402 flat angles P-C4'-P energy: -73.881 tors. eta vs tors. theta energy: -150.784 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: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1670.394962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.394962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.394962 (E_RNA) where: Base-Base interactions energy: -1199.197 where: short stacking energy: -552.564 Base-Backbone interact. energy: -2.080 local terms energy: -469.117934 where: bonds (distance) C4'-P energy: -71.042 bonds (distance) P-C4' energy: -81.085 flat angles C4'-P-C4' energy: -99.951 flat angles P-C4'-P energy: -72.229 tors. eta vs tors. theta energy: -144.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1589.466742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.466742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.466742 (E_RNA) where: Base-Base interactions energy: -1151.487 where: short stacking energy: -526.036 Base-Backbone interact. energy: -0.775 local terms energy: -437.205130 where: bonds (distance) C4'-P energy: -77.150 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -87.787 flat angles P-C4'-P energy: -61.463 tors. eta vs tors. theta energy: -136.978 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: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1529.465109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.465109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.465109 (E_RNA) where: Base-Base interactions energy: -1107.202 where: short stacking energy: -491.849 Base-Backbone interact. energy: -2.083 local terms energy: -420.179860 where: bonds (distance) C4'-P energy: -74.767 bonds (distance) P-C4' energy: -63.916 flat angles C4'-P-C4' energy: -84.996 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -133.117 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: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1405.617756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.617756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.617756 (E_RNA) where: Base-Base interactions energy: -991.999 where: short stacking energy: -466.962 Base-Backbone interact. energy: -0.163 local terms energy: -413.456534 where: bonds (distance) C4'-P energy: -65.934 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -55.504 tors. eta vs tors. theta energy: -120.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1270.195464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.195464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.195464 (E_RNA) where: Base-Base interactions energy: -886.126 where: short stacking energy: -403.027 Base-Backbone interact. energy: 2.051 local terms energy: -386.120817 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -77.423 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -96.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1988.203985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.203985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.203985 (E_RNA) where: Base-Base interactions energy: -1424.573 where: short stacking energy: -651.913 Base-Backbone interact. energy: -1.391 local terms energy: -562.240742 where: bonds (distance) C4'-P energy: -100.301 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -114.051 flat angles P-C4'-P energy: -84.577 tors. eta vs tors. theta energy: -174.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1891.479285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.479285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.479285 (E_RNA) where: Base-Base interactions energy: -1354.173 where: short stacking energy: -603.189 Base-Backbone interact. energy: -2.764 local terms energy: -534.542133 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -91.507 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: -169.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1821.360878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.360878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.360878 (E_RNA) where: Base-Base interactions energy: -1308.385 where: short stacking energy: -573.565 Base-Backbone interact. energy: -3.318 local terms energy: -509.657390 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -93.254 flat angles C4'-P-C4' energy: -112.328 flat angles P-C4'-P energy: -78.130 tors. eta vs tors. theta energy: -145.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1775.492324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.492324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.492324 (E_RNA) where: Base-Base interactions energy: -1276.427 where: short stacking energy: -594.759 Base-Backbone interact. energy: -1.857 local terms energy: -497.207995 where: bonds (distance) C4'-P energy: -85.720 bonds (distance) P-C4' energy: -76.620 flat angles C4'-P-C4' energy: -107.682 flat angles P-C4'-P energy: -69.273 tors. eta vs tors. theta energy: -157.912 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: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1708.821772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.821772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.821772 (E_RNA) where: Base-Base interactions energy: -1214.023 where: short stacking energy: -545.164 Base-Backbone interact. energy: -1.495 local terms energy: -493.303280 where: bonds (distance) C4'-P energy: -87.268 bonds (distance) P-C4' energy: -90.881 flat angles C4'-P-C4' energy: -103.672 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: -145.518 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: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1678.606212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.606212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.606212 (E_RNA) where: Base-Base interactions energy: -1221.335 where: short stacking energy: -537.008 Base-Backbone interact. energy: 1.132 local terms energy: -458.402526 where: bonds (distance) C4'-P energy: -75.587 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -106.044 flat angles P-C4'-P energy: -59.535 tors. eta vs tors. theta energy: -135.825 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: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1647.362853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.362853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.362853 (E_RNA) where: Base-Base interactions energy: -1168.429 where: short stacking energy: -541.131 Base-Backbone interact. energy: -3.397 local terms energy: -475.537011 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -86.168 flat angles C4'-P-C4' energy: -105.843 flat angles P-C4'-P energy: -62.808 tors. eta vs tors. theta energy: -142.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1570.829578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.829578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.829578 (E_RNA) where: Base-Base interactions energy: -1130.482 where: short stacking energy: -516.200 Base-Backbone interact. energy: -2.258 local terms energy: -438.090144 where: bonds (distance) C4'-P energy: -65.270 bonds (distance) P-C4' energy: -91.881 flat angles C4'-P-C4' energy: -80.923 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -139.678 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1393.129397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.129397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.129397 (E_RNA) where: Base-Base interactions energy: -994.772 where: short stacking energy: -470.197 Base-Backbone interact. energy: -2.889 local terms energy: -395.468550 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -67.581 flat angles C4'-P-C4' energy: -88.713 flat angles P-C4'-P energy: -48.542 tors. eta vs tors. theta energy: -126.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1260.907406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.907406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.907406 (E_RNA) where: Base-Base interactions energy: -900.504 where: short stacking energy: -404.314 Base-Backbone interact. energy: -1.585 local terms energy: -358.818667 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -49.369 flat angles C4'-P-C4' energy: -73.687 flat angles P-C4'-P energy: -66.149 tors. eta vs tors. theta energy: -100.430 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: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1963.353170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.353170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.353170 (E_RNA) where: Base-Base interactions energy: -1405.722 where: short stacking energy: -642.477 Base-Backbone interact. energy: -1.683 local terms energy: -555.948070 where: bonds (distance) C4'-P energy: -92.993 bonds (distance) P-C4' energy: -94.791 flat angles C4'-P-C4' energy: -112.789 flat angles P-C4'-P energy: -82.912 tors. eta vs tors. theta energy: -172.463 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: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1889.651553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.651553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.651553 (E_RNA) where: Base-Base interactions energy: -1350.325 where: short stacking energy: -602.441 Base-Backbone interact. energy: -2.878 local terms energy: -536.448540 where: bonds (distance) C4'-P energy: -96.047 bonds (distance) P-C4' energy: -91.068 flat angles C4'-P-C4' energy: -110.046 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -163.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1827.658448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.658448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.658448 (E_RNA) where: Base-Base interactions energy: -1299.818 where: short stacking energy: -561.992 Base-Backbone interact. energy: -0.783 local terms energy: -527.057530 where: bonds (distance) C4'-P energy: -99.363 bonds (distance) P-C4' energy: -102.381 flat angles C4'-P-C4' energy: -106.921 flat angles P-C4'-P energy: -67.448 tors. eta vs tors. theta energy: -150.944 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: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1773.556249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.556249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.556249 (E_RNA) where: Base-Base interactions energy: -1282.582 where: short stacking energy: -598.388 Base-Backbone interact. energy: -4.091 local terms energy: -486.882919 where: bonds (distance) C4'-P energy: -94.040 bonds (distance) P-C4' energy: -81.195 flat angles C4'-P-C4' energy: -98.668 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -155.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1709.034731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.034731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.034731 (E_RNA) where: Base-Base interactions energy: -1206.801 where: short stacking energy: -531.811 Base-Backbone interact. energy: -2.148 local terms energy: -500.085451 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -84.543 flat angles C4'-P-C4' energy: -108.397 flat angles P-C4'-P energy: -70.531 tors. eta vs tors. theta energy: -147.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1683.450111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.450111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.450111 (E_RNA) where: Base-Base interactions energy: -1219.529 where: short stacking energy: -556.400 Base-Backbone interact. energy: 0.952 local terms energy: -464.872529 where: bonds (distance) C4'-P energy: -82.165 bonds (distance) P-C4' energy: -76.599 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -143.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1626.743175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.743175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.743175 (E_RNA) where: Base-Base interactions energy: -1176.130 where: short stacking energy: -530.778 Base-Backbone interact. energy: -0.786 local terms energy: -449.826961 where: bonds (distance) C4'-P energy: -86.422 bonds (distance) P-C4' energy: -68.210 flat angles C4'-P-C4' energy: -91.574 flat angles P-C4'-P energy: -58.724 tors. eta vs tors. theta energy: -144.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1575.647170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.647170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.647170 (E_RNA) where: Base-Base interactions energy: -1145.496 where: short stacking energy: -511.032 Base-Backbone interact. energy: -0.550 local terms energy: -429.601504 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -74.068 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: -134.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1400.181007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.181007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.181007 (E_RNA) where: Base-Base interactions energy: -992.519 where: short stacking energy: -484.114 Base-Backbone interact. energy: -0.037 local terms energy: -407.625847 where: bonds (distance) C4'-P energy: -71.648 bonds (distance) P-C4' energy: -65.155 flat angles C4'-P-C4' energy: -87.310 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -120.852 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: 289 Temperature: 1.350000 Total energy: -1186.187163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.187163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.187163 (E_RNA) where: Base-Base interactions energy: -816.920 where: short stacking energy: -369.351 Base-Backbone interact. energy: -0.316 local terms energy: -368.950895 where: bonds (distance) C4'-P energy: -75.158 bonds (distance) P-C4' energy: -67.396 flat angles C4'-P-C4' energy: -81.985 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: -90.863 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: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1948.182545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.182545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.182545 (E_RNA) where: Base-Base interactions energy: -1399.498 where: short stacking energy: -644.690 Base-Backbone interact. energy: -0.851 local terms energy: -547.833567 where: bonds (distance) C4'-P energy: -90.007 bonds (distance) P-C4' energy: -93.180 flat angles C4'-P-C4' energy: -113.558 flat angles P-C4'-P energy: -79.830 tors. eta vs tors. theta energy: -171.258 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: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1871.053611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.053611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.053611 (E_RNA) where: Base-Base interactions energy: -1321.717 where: short stacking energy: -610.941 Base-Backbone interact. energy: -3.007 local terms energy: -546.329640 where: bonds (distance) C4'-P energy: -93.646 bonds (distance) P-C4' energy: -99.443 flat angles C4'-P-C4' energy: -112.307 flat angles P-C4'-P energy: -78.460 tors. eta vs tors. theta energy: -162.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1806.634084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.634084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.634084 (E_RNA) where: Base-Base interactions energy: -1294.814 where: short stacking energy: -582.539 Base-Backbone interact. energy: -2.158 local terms energy: -509.661976 where: bonds (distance) C4'-P energy: -90.591 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -111.744 flat angles P-C4'-P energy: -61.737 tors. eta vs tors. theta energy: -153.482 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: 290 Temperature: 1.050000 Total energy: -1777.109867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.109867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.109867 (E_RNA) where: Base-Base interactions energy: -1280.984 where: short stacking energy: -577.476 Base-Backbone interact. energy: -0.342 local terms energy: -495.784497 where: bonds (distance) C4'-P energy: -88.673 bonds (distance) P-C4' energy: -74.620 flat angles C4'-P-C4' energy: -104.017 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -151.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1710.360315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.360315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.360315 (E_RNA) where: Base-Base interactions energy: -1221.683 where: short stacking energy: -544.045 Base-Backbone interact. energy: -2.744 local terms energy: -485.933264 where: bonds (distance) C4'-P energy: -91.872 bonds (distance) P-C4' energy: -77.023 flat angles C4'-P-C4' energy: -96.555 flat angles P-C4'-P energy: -75.528 tors. eta vs tors. theta energy: -144.955 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: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1647.972672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.972672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.972672 (E_RNA) where: Base-Base interactions energy: -1177.541 where: short stacking energy: -532.009 Base-Backbone interact. energy: -0.162 local terms energy: -470.269254 where: bonds (distance) C4'-P energy: -74.002 bonds (distance) P-C4' energy: -86.194 flat angles C4'-P-C4' energy: -104.472 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -137.007 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: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1631.745306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.745306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.745306 (E_RNA) where: Base-Base interactions energy: -1171.565 where: short stacking energy: -542.201 Base-Backbone interact. energy: -0.022 local terms energy: -460.158025 where: bonds (distance) C4'-P energy: -75.941 bonds (distance) P-C4' energy: -80.152 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -139.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1553.459756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.459756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.459756 (E_RNA) where: Base-Base interactions energy: -1129.228 where: short stacking energy: -498.840 Base-Backbone interact. energy: -2.615 local terms energy: -421.617292 where: bonds (distance) C4'-P energy: -58.399 bonds (distance) P-C4' energy: -89.152 flat angles C4'-P-C4' energy: -97.453 flat angles P-C4'-P energy: -52.368 tors. eta vs tors. theta energy: -124.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1440.352456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.352456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.352456 (E_RNA) where: Base-Base interactions energy: -1010.664 where: short stacking energy: -454.430 Base-Backbone interact. energy: -0.821 local terms energy: -428.867516 where: bonds (distance) C4'-P energy: -74.690 bonds (distance) P-C4' energy: -84.247 flat angles C4'-P-C4' energy: -96.237 flat angles P-C4'-P energy: -53.863 tors. eta vs tors. theta energy: -119.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1178.668034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.668034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.668034 (E_RNA) where: Base-Base interactions energy: -817.241 where: short stacking energy: -376.615 Base-Backbone interact. energy: -0.102 local terms energy: -361.324853 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -78.500 flat angles C4'-P-C4' energy: -78.803 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -84.308 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: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1957.988752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.988752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.988752 (E_RNA) where: Base-Base interactions energy: -1403.706 where: short stacking energy: -645.531 Base-Backbone interact. energy: -0.879 local terms energy: -553.404027 where: bonds (distance) C4'-P energy: -91.466 bonds (distance) P-C4' energy: -99.406 flat angles C4'-P-C4' energy: -113.349 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -171.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1886.571393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.571393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.571393 (E_RNA) where: Base-Base interactions energy: -1345.519 where: short stacking energy: -610.039 Base-Backbone interact. energy: -0.620 local terms energy: -540.431911 where: bonds (distance) C4'-P energy: -100.086 bonds (distance) P-C4' energy: -104.311 flat angles C4'-P-C4' energy: -104.942 flat angles P-C4'-P energy: -67.985 tors. eta vs tors. theta energy: -163.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1836.128840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.128840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.128840 (E_RNA) where: Base-Base interactions energy: -1315.787 where: short stacking energy: -586.496 Base-Backbone interact. energy: -1.115 local terms energy: -519.227109 where: bonds (distance) C4'-P energy: -88.478 bonds (distance) P-C4' energy: -94.084 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: -154.826 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: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1765.720141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.720141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.720141 (E_RNA) where: Base-Base interactions energy: -1252.041 where: short stacking energy: -565.461 Base-Backbone interact. energy: -2.582 local terms energy: -511.096502 where: bonds (distance) C4'-P energy: -100.249 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -106.039 flat angles P-C4'-P energy: -63.865 tors. eta vs tors. theta energy: -150.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1718.232627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.232627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.232627 (E_RNA) where: Base-Base interactions energy: -1253.036 where: short stacking energy: -578.962 Base-Backbone interact. energy: 2.270 local terms energy: -467.466617 where: bonds (distance) C4'-P energy: -73.193 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -97.863 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -148.928 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: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1674.438707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.438707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.438707 (E_RNA) where: Base-Base interactions energy: -1197.665 where: short stacking energy: -538.712 Base-Backbone interact. energy: -3.506 local terms energy: -473.267176 where: bonds (distance) C4'-P energy: -69.235 bonds (distance) P-C4' energy: -90.921 flat angles C4'-P-C4' energy: -112.191 flat angles P-C4'-P energy: -68.044 tors. eta vs tors. theta energy: -132.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1619.241105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.241105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.241105 (E_RNA) where: Base-Base interactions energy: -1174.977 where: short stacking energy: -539.168 Base-Backbone interact. energy: 0.788 local terms energy: -445.051929 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -83.803 flat angles C4'-P-C4' energy: -102.842 flat angles P-C4'-P energy: -51.657 tors. eta vs tors. theta energy: -142.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1490.319192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.319192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.319192 (E_RNA) where: Base-Base interactions energy: -1034.425 where: short stacking energy: -494.216 Base-Backbone interact. energy: 0.205 local terms energy: -456.098904 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -88.427 flat angles C4'-P-C4' energy: -103.595 flat angles P-C4'-P energy: -63.728 tors. eta vs tors. theta energy: -128.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1409.159598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.159598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.159598 (E_RNA) where: Base-Base interactions energy: -996.362 where: short stacking energy: -464.003 Base-Backbone interact. energy: -1.498 local terms energy: -411.299970 where: bonds (distance) C4'-P energy: -88.093 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -87.597 flat angles P-C4'-P energy: -59.289 tors. eta vs tors. theta energy: -118.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1168.315950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.315950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.315950 (E_RNA) where: Base-Base interactions energy: -832.086 where: short stacking energy: -372.265 Base-Backbone interact. energy: -1.348 local terms energy: -334.882293 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -64.295 flat angles C4'-P-C4' energy: -69.376 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: -93.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1954.002418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.002418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.002418 (E_RNA) where: Base-Base interactions energy: -1388.378 where: short stacking energy: -620.190 Base-Backbone interact. energy: -1.664 local terms energy: -563.960058 where: bonds (distance) C4'-P energy: -97.837 bonds (distance) P-C4' energy: -111.161 flat angles C4'-P-C4' energy: -111.069 flat angles P-C4'-P energy: -72.406 tors. eta vs tors. theta energy: -171.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1869.109046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.109046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.109046 (E_RNA) where: Base-Base interactions energy: -1340.026 where: short stacking energy: -605.902 Base-Backbone interact. energy: -2.856 local terms energy: -526.226936 where: bonds (distance) C4'-P energy: -83.494 bonds (distance) P-C4' energy: -91.614 flat angles C4'-P-C4' energy: -113.158 flat angles P-C4'-P energy: -81.848 tors. eta vs tors. theta energy: -156.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1815.920089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.920089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.920089 (E_RNA) where: Base-Base interactions energy: -1292.614 where: short stacking energy: -568.164 Base-Backbone interact. energy: -3.387 local terms energy: -519.918575 where: bonds (distance) C4'-P energy: -85.453 bonds (distance) P-C4' energy: -93.042 flat angles C4'-P-C4' energy: -107.220 flat angles P-C4'-P energy: -80.304 tors. eta vs tors. theta energy: -153.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1805.188001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.188001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.188001 (E_RNA) where: Base-Base interactions energy: -1294.208 where: short stacking energy: -582.524 Base-Backbone interact. energy: -2.369 local terms energy: -508.610650 where: bonds (distance) C4'-P energy: -90.807 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -106.069 flat angles P-C4'-P energy: -73.871 tors. eta vs tors. theta energy: -151.437 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: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1694.561630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.561630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.561630 (E_RNA) where: Base-Base interactions energy: -1218.123 where: short stacking energy: -542.084 Base-Backbone interact. energy: 1.918 local terms energy: -478.356740 where: bonds (distance) C4'-P energy: -73.539 bonds (distance) P-C4' energy: -86.999 flat angles C4'-P-C4' energy: -105.242 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -149.710 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: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1634.017795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.017795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.017795 (E_RNA) where: Base-Base interactions energy: -1179.282 where: short stacking energy: -539.789 Base-Backbone interact. energy: -0.380 local terms energy: -454.355502 where: bonds (distance) C4'-P energy: -61.150 bonds (distance) P-C4' energy: -82.915 flat angles C4'-P-C4' energy: -100.729 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -135.043 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: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1630.762748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.762748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.762748 (E_RNA) where: Base-Base interactions energy: -1170.839 where: short stacking energy: -513.326 Base-Backbone interact. energy: -0.952 local terms energy: -458.972115 where: bonds (distance) C4'-P energy: -74.297 bonds (distance) P-C4' energy: -78.098 flat angles C4'-P-C4' energy: -101.409 flat angles P-C4'-P energy: -60.465 tors. eta vs tors. theta energy: -144.703 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: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1551.043684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.043684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.043684 (E_RNA) where: Base-Base interactions energy: -1099.386 where: short stacking energy: -497.788 Base-Backbone interact. energy: 1.473 local terms energy: -453.131473 where: bonds (distance) C4'-P energy: -80.253 bonds (distance) P-C4' energy: -86.377 flat angles C4'-P-C4' energy: -94.130 flat angles P-C4'-P energy: -64.390 tors. eta vs tors. theta energy: -127.982 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: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1373.887604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.887604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.887604 (E_RNA) where: Base-Base interactions energy: -963.716 where: short stacking energy: -440.924 Base-Backbone interact. energy: -0.971 local terms energy: -409.201339 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -89.521 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -109.848 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: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1130.806746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.806746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.806746 (E_RNA) where: Base-Base interactions energy: -772.372 where: short stacking energy: -362.767 Base-Backbone interact. energy: 1.465 local terms energy: -359.899543 where: bonds (distance) C4'-P energy: -69.965 bonds (distance) P-C4' energy: -79.883 flat angles C4'-P-C4' energy: -86.852 flat angles P-C4'-P energy: -51.042 tors. eta vs tors. theta energy: -72.157 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: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1961.794679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.794679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.794679 (E_RNA) where: Base-Base interactions energy: -1414.875 where: short stacking energy: -641.616 Base-Backbone interact. energy: -1.331 local terms energy: -545.588382 where: bonds (distance) C4'-P energy: -97.673 bonds (distance) P-C4' energy: -78.579 flat angles C4'-P-C4' energy: -119.668 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -169.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1889.241873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.241873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.241873 (E_RNA) where: Base-Base interactions energy: -1347.943 where: short stacking energy: -588.040 Base-Backbone interact. energy: -2.288 local terms energy: -539.011040 where: bonds (distance) C4'-P energy: -106.659 bonds (distance) P-C4' energy: -89.832 flat angles C4'-P-C4' energy: -104.231 flat angles P-C4'-P energy: -73.917 tors. eta vs tors. theta energy: -164.373 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: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1848.336007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.336007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.336007 (E_RNA) where: Base-Base interactions energy: -1328.184 where: short stacking energy: -586.293 Base-Backbone interact. energy: -2.800 local terms energy: -517.351985 where: bonds (distance) C4'-P energy: -87.193 bonds (distance) P-C4' energy: -92.564 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -73.688 tors. eta vs tors. theta energy: -154.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1761.648698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.648698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.648698 (E_RNA) where: Base-Base interactions energy: -1256.845 where: short stacking energy: -583.911 Base-Backbone interact. energy: -1.792 local terms energy: -503.012060 where: bonds (distance) C4'-P energy: -91.735 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -105.721 flat angles P-C4'-P energy: -68.636 tors. eta vs tors. theta energy: -151.865 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: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1689.963330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.963330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.963330 (E_RNA) where: Base-Base interactions energy: -1213.506 where: short stacking energy: -530.880 Base-Backbone interact. energy: 1.530 local terms energy: -477.987030 where: bonds (distance) C4'-P energy: -87.701 bonds (distance) P-C4' energy: -86.440 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -57.484 tors. eta vs tors. theta energy: -149.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1669.167669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.167669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.167669 (E_RNA) where: Base-Base interactions energy: -1197.201 where: short stacking energy: -552.526 Base-Backbone interact. energy: -1.393 local terms energy: -470.572913 where: bonds (distance) C4'-P energy: -87.787 bonds (distance) P-C4' energy: -76.900 flat angles C4'-P-C4' energy: -93.156 flat angles P-C4'-P energy: -66.153 tors. eta vs tors. theta energy: -146.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1630.879529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.879529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.879529 (E_RNA) where: Base-Base interactions energy: -1161.992 where: short stacking energy: -532.581 Base-Backbone interact. energy: -0.893 local terms energy: -467.995053 where: bonds (distance) C4'-P energy: -81.330 bonds (distance) P-C4' energy: -85.230 flat angles C4'-P-C4' energy: -99.387 flat angles P-C4'-P energy: -61.200 tors. eta vs tors. theta energy: -140.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1527.760915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.760915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.760915 (E_RNA) where: Base-Base interactions energy: -1105.009 where: short stacking energy: -501.743 Base-Backbone interact. energy: -1.557 local terms energy: -421.194819 where: bonds (distance) C4'-P energy: -73.988 bonds (distance) P-C4' energy: -75.478 flat angles C4'-P-C4' energy: -80.261 flat angles P-C4'-P energy: -57.109 tors. eta vs tors. theta energy: -134.358 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1388.240027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.240027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.240027 (E_RNA) where: Base-Base interactions energy: -990.289 where: short stacking energy: -496.756 Base-Backbone interact. energy: -1.675 local terms energy: -396.275936 where: bonds (distance) C4'-P energy: -64.318 bonds (distance) P-C4' energy: -71.438 flat angles C4'-P-C4' energy: -86.977 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -111.078 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: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1120.457814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.457814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.457814 (E_RNA) where: Base-Base interactions energy: -774.796 where: short stacking energy: -355.772 Base-Backbone interact. energy: -0.819 local terms energy: -344.843648 where: bonds (distance) C4'-P energy: -90.306 bonds (distance) P-C4' energy: -72.138 flat angles C4'-P-C4' energy: -64.103 flat angles P-C4'-P energy: -51.655 tors. eta vs tors. theta energy: -66.642 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: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1972.930695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.930695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.930695 (E_RNA) where: Base-Base interactions energy: -1419.827 where: short stacking energy: -634.849 Base-Backbone interact. energy: -3.173 local terms energy: -549.930783 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -90.035 flat angles C4'-P-C4' energy: -110.080 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -172.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1869.474728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.474728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.474728 (E_RNA) where: Base-Base interactions energy: -1347.102 where: short stacking energy: -605.585 Base-Backbone interact. energy: -1.646 local terms energy: -520.727157 where: bonds (distance) C4'-P energy: -88.324 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -107.468 flat angles P-C4'-P energy: -73.947 tors. eta vs tors. theta energy: -161.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1850.064559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.064559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.064559 (E_RNA) where: Base-Base interactions energy: -1327.770 where: short stacking energy: -591.475 Base-Backbone interact. energy: -2.966 local terms energy: -519.329266 where: bonds (distance) C4'-P energy: -90.554 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -110.857 flat angles P-C4'-P energy: -72.486 tors. eta vs tors. theta energy: -160.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1791.828649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.828649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.828649 (E_RNA) where: Base-Base interactions energy: -1265.476 where: short stacking energy: -586.780 Base-Backbone interact. energy: -2.455 local terms energy: -523.897873 where: bonds (distance) C4'-P energy: -92.605 bonds (distance) P-C4' energy: -94.948 flat angles C4'-P-C4' energy: -105.601 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: -155.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1695.388910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.388910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.388910 (E_RNA) where: Base-Base interactions energy: -1222.035 where: short stacking energy: -557.880 Base-Backbone interact. energy: -1.962 local terms energy: -471.392237 where: bonds (distance) C4'-P energy: -81.952 bonds (distance) P-C4' energy: -89.112 flat angles C4'-P-C4' energy: -90.790 flat angles P-C4'-P energy: -60.444 tors. eta vs tors. theta energy: -149.094 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: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1700.520885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.520885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.520885 (E_RNA) where: Base-Base interactions energy: -1229.731 where: short stacking energy: -557.535 Base-Backbone interact. energy: -2.343 local terms energy: -468.446876 where: bonds (distance) C4'-P energy: -82.808 bonds (distance) P-C4' energy: -66.676 flat angles C4'-P-C4' energy: -101.543 flat angles P-C4'-P energy: -67.775 tors. eta vs tors. theta energy: -149.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1615.234341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.234341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.234341 (E_RNA) where: Base-Base interactions energy: -1145.917 where: short stacking energy: -513.379 Base-Backbone interact. energy: 4.018 local terms energy: -473.335527 where: bonds (distance) C4'-P energy: -90.495 bonds (distance) P-C4' energy: -85.040 flat angles C4'-P-C4' energy: -90.003 flat angles P-C4'-P energy: -66.343 tors. eta vs tors. theta energy: -141.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1543.196680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.196680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.196680 (E_RNA) where: Base-Base interactions energy: -1140.606 where: short stacking energy: -488.163 Base-Backbone interact. energy: -0.937 local terms energy: -401.653202 where: bonds (distance) C4'-P energy: -71.756 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -90.161 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -125.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1391.194535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.194535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.194535 (E_RNA) where: Base-Base interactions energy: -991.089 where: short stacking energy: -481.623 Base-Backbone interact. energy: -1.780 local terms energy: -398.326045 where: bonds (distance) C4'-P energy: -67.792 bonds (distance) P-C4' energy: -78.282 flat angles C4'-P-C4' energy: -93.040 flat angles P-C4'-P energy: -52.989 tors. eta vs tors. theta energy: -106.223 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: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1127.660897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.660897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.660897 (E_RNA) where: Base-Base interactions energy: -786.916 where: short stacking energy: -364.528 Base-Backbone interact. energy: -0.741 local terms energy: -340.003785 where: bonds (distance) C4'-P energy: -78.077 bonds (distance) P-C4' energy: -67.290 flat angles C4'-P-C4' energy: -85.388 flat angles P-C4'-P energy: -26.874 tors. eta vs tors. theta energy: -82.374 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: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1962.657024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.657024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.657024 (E_RNA) where: Base-Base interactions energy: -1410.360 where: short stacking energy: -640.783 Base-Backbone interact. energy: -2.155 local terms energy: -550.142182 where: bonds (distance) C4'-P energy: -99.295 bonds (distance) P-C4' energy: -92.638 flat angles C4'-P-C4' energy: -112.203 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -172.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1863.518064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.518064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.518064 (E_RNA) where: Base-Base interactions energy: -1352.108 where: short stacking energy: -583.267 Base-Backbone interact. energy: -3.532 local terms energy: -507.877498 where: bonds (distance) C4'-P energy: -75.021 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -108.585 flat angles P-C4'-P energy: -73.701 tors. eta vs tors. theta energy: -154.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1845.281208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.281208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.281208 (E_RNA) where: Base-Base interactions energy: -1308.030 where: short stacking energy: -593.959 Base-Backbone interact. energy: -5.552 local terms energy: -531.698846 where: bonds (distance) C4'-P energy: -91.863 bonds (distance) P-C4' energy: -98.199 flat angles C4'-P-C4' energy: -99.213 flat angles P-C4'-P energy: -73.238 tors. eta vs tors. theta energy: -169.186 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: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1806.941204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.941204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.941204 (E_RNA) where: Base-Base interactions energy: -1286.031 where: short stacking energy: -580.496 Base-Backbone interact. energy: -5.896 local terms energy: -515.013888 where: bonds (distance) C4'-P energy: -94.031 bonds (distance) P-C4' energy: -76.398 flat angles C4'-P-C4' energy: -105.537 flat angles P-C4'-P energy: -77.772 tors. eta vs tors. theta energy: -161.277 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: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1697.322719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.322719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.322719 (E_RNA) where: Base-Base interactions energy: -1200.372 where: short stacking energy: -548.369 Base-Backbone interact. energy: -1.683 local terms energy: -495.267725 where: bonds (distance) C4'-P energy: -88.419 bonds (distance) P-C4' energy: -77.785 flat angles C4'-P-C4' energy: -112.371 flat angles P-C4'-P energy: -70.090 tors. eta vs tors. theta energy: -146.603 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1676.009574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.009574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.009574 (E_RNA) where: Base-Base interactions energy: -1219.282 where: short stacking energy: -546.035 Base-Backbone interact. energy: -0.920 local terms energy: -455.806881 where: bonds (distance) C4'-P energy: -85.010 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -142.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1598.571132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.571132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.571132 (E_RNA) where: Base-Base interactions energy: -1135.133 where: short stacking energy: -524.294 Base-Backbone interact. energy: 0.512 local terms energy: -463.950301 where: bonds (distance) C4'-P energy: -78.477 bonds (distance) P-C4' energy: -75.791 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -69.523 tors. eta vs tors. theta energy: -139.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1539.886597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.886597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.886597 (E_RNA) where: Base-Base interactions energy: -1106.151 where: short stacking energy: -503.666 Base-Backbone interact. energy: -0.201 local terms energy: -433.533874 where: bonds (distance) C4'-P energy: -73.004 bonds (distance) P-C4' energy: -75.974 flat angles C4'-P-C4' energy: -102.651 flat angles P-C4'-P energy: -58.171 tors. eta vs tors. theta energy: -123.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1437.664857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.664857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.664857 (E_RNA) where: Base-Base interactions energy: -1007.774 where: short stacking energy: -446.988 Base-Backbone interact. energy: -1.164 local terms energy: -428.726475 where: bonds (distance) C4'-P energy: -82.305 bonds (distance) P-C4' energy: -84.382 flat angles C4'-P-C4' energy: -89.031 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -120.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1048.779360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.779360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.779360 (E_RNA) where: Base-Base interactions energy: -707.881 where: short stacking energy: -341.387 Base-Backbone interact. energy: -3.234 local terms energy: -337.664504 where: bonds (distance) C4'-P energy: -74.081 bonds (distance) P-C4' energy: -81.721 flat angles C4'-P-C4' energy: -74.054 flat angles P-C4'-P energy: -35.824 tors. eta vs tors. theta energy: -71.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1966.898533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.898533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.898533 (E_RNA) where: Base-Base interactions energy: -1411.354 where: short stacking energy: -633.215 Base-Backbone interact. energy: -2.362 local terms energy: -553.183177 where: bonds (distance) C4'-P energy: -97.216 bonds (distance) P-C4' energy: -94.330 flat angles C4'-P-C4' energy: -114.393 flat angles P-C4'-P energy: -80.528 tors. eta vs tors. theta energy: -166.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1869.016244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.016244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.016244 (E_RNA) where: Base-Base interactions energy: -1361.983 where: short stacking energy: -604.499 Base-Backbone interact. energy: -2.975 local terms energy: -504.058398 where: bonds (distance) C4'-P energy: -83.062 bonds (distance) P-C4' energy: -87.780 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -71.188 tors. eta vs tors. theta energy: -156.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1804.311134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.311134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.311134 (E_RNA) where: Base-Base interactions energy: -1278.341 where: short stacking energy: -577.065 Base-Backbone interact. energy: 1.262 local terms energy: -527.231662 where: bonds (distance) C4'-P energy: -93.907 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -106.011 flat angles P-C4'-P energy: -76.589 tors. eta vs tors. theta energy: -155.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1827.098228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.098228 (E_RNA) where: Base-Base interactions energy: -1329.359 where: short stacking energy: -591.948 Base-Backbone interact. energy: -0.883 local terms energy: -496.856164 where: bonds (distance) C4'-P energy: -84.769 bonds (distance) P-C4' energy: -82.915 flat angles C4'-P-C4' energy: -100.320 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -156.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1704.848119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.848119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.848119 (E_RNA) where: Base-Base interactions energy: -1221.612 where: short stacking energy: -556.820 Base-Backbone interact. energy: 0.136 local terms energy: -483.372804 where: bonds (distance) C4'-P energy: -77.853 bonds (distance) P-C4' energy: -77.823 flat angles C4'-P-C4' energy: -111.976 flat angles P-C4'-P energy: -65.487 tors. eta vs tors. theta energy: -150.235 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: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1692.536585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.536585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.536585 (E_RNA) where: Base-Base interactions energy: -1217.299 where: short stacking energy: -534.686 Base-Backbone interact. energy: -2.939 local terms energy: -472.298591 where: bonds (distance) C4'-P energy: -81.986 bonds (distance) P-C4' energy: -91.974 flat angles C4'-P-C4' energy: -100.754 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -141.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1649.620434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.620434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.620434 (E_RNA) where: Base-Base interactions energy: -1194.043 where: short stacking energy: -537.858 Base-Backbone interact. energy: -1.135 local terms energy: -454.442377 where: bonds (distance) C4'-P energy: -66.676 bonds (distance) P-C4' energy: -75.127 flat angles C4'-P-C4' energy: -101.948 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -143.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1556.232101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.232101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.232101 (E_RNA) where: Base-Base interactions energy: -1109.622 where: short stacking energy: -488.316 Base-Backbone interact. energy: 0.310 local terms energy: -446.919952 where: bonds (distance) C4'-P energy: -83.332 bonds (distance) P-C4' energy: -96.131 flat angles C4'-P-C4' energy: -90.404 flat angles P-C4'-P energy: -48.114 tors. eta vs tors. theta energy: -128.940 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: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1363.150758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.150758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.150758 (E_RNA) where: Base-Base interactions energy: -949.012 where: short stacking energy: -426.603 Base-Backbone interact. energy: -0.454 local terms energy: -413.684111 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -75.937 flat angles C4'-P-C4' energy: -99.579 flat angles P-C4'-P energy: -51.256 tors. eta vs tors. theta energy: -110.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1108.609097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.609097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.609097 (E_RNA) where: Base-Base interactions energy: -756.343 where: short stacking energy: -354.786 Base-Backbone interact. energy: 2.484 local terms energy: -354.750135 where: bonds (distance) C4'-P energy: -74.951 bonds (distance) P-C4' energy: -86.186 flat angles C4'-P-C4' energy: -79.350 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -74.953 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: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1988.851966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.851966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.851966 (E_RNA) where: Base-Base interactions energy: -1425.429 where: short stacking energy: -651.253 Base-Backbone interact. energy: -1.963 local terms energy: -561.459871 where: bonds (distance) C4'-P energy: -94.222 bonds (distance) P-C4' energy: -91.061 flat angles C4'-P-C4' energy: -117.454 flat angles P-C4'-P energy: -85.077 tors. eta vs tors. theta energy: -173.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1833.601392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.601392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.601392 (E_RNA) where: Base-Base interactions energy: -1315.763 where: short stacking energy: -602.351 Base-Backbone interact. energy: -0.148 local terms energy: -517.690032 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -87.240 flat angles C4'-P-C4' energy: -110.420 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -158.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1825.204653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.204653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.204653 (E_RNA) where: Base-Base interactions energy: -1315.135 where: short stacking energy: -590.184 Base-Backbone interact. energy: -3.709 local terms energy: -506.360892 where: bonds (distance) C4'-P energy: -89.196 bonds (distance) P-C4' energy: -90.076 flat angles C4'-P-C4' energy: -98.148 flat angles P-C4'-P energy: -75.272 tors. eta vs tors. theta energy: -153.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1819.921634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.921634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.921634 (E_RNA) where: Base-Base interactions energy: -1313.948 where: short stacking energy: -585.329 Base-Backbone interact. energy: -3.161 local terms energy: -502.812576 where: bonds (distance) C4'-P energy: -87.129 bonds (distance) P-C4' energy: -81.826 flat angles C4'-P-C4' energy: -112.834 flat angles P-C4'-P energy: -66.590 tors. eta vs tors. theta energy: -154.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1709.891924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.891924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.891924 (E_RNA) where: Base-Base interactions energy: -1206.879 where: short stacking energy: -557.184 Base-Backbone interact. energy: -2.517 local terms energy: -500.495626 where: bonds (distance) C4'-P energy: -89.608 bonds (distance) P-C4' energy: -77.526 flat angles C4'-P-C4' energy: -112.526 flat angles P-C4'-P energy: -71.539 tors. eta vs tors. theta energy: -149.297 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: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1709.802148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.802148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.802148 (E_RNA) where: Base-Base interactions energy: -1229.459 where: short stacking energy: -558.558 Base-Backbone interact. energy: -2.282 local terms energy: -478.060886 where: bonds (distance) C4'-P energy: -81.021 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -106.633 flat angles P-C4'-P energy: -65.411 tors. eta vs tors. theta energy: -144.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1645.425509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.425509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.425509 (E_RNA) where: Base-Base interactions energy: -1203.712 where: short stacking energy: -528.609 Base-Backbone interact. energy: 0.363 local terms energy: -442.076502 where: bonds (distance) C4'-P energy: -70.306 bonds (distance) P-C4' energy: -77.521 flat angles C4'-P-C4' energy: -105.183 flat angles P-C4'-P energy: -49.668 tors. eta vs tors. theta energy: -139.399 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: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1547.934882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.934882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.934882 (E_RNA) where: Base-Base interactions energy: -1119.733 where: short stacking energy: -505.009 Base-Backbone interact. energy: -0.815 local terms energy: -427.387142 where: bonds (distance) C4'-P energy: -64.019 bonds (distance) P-C4' energy: -89.337 flat angles C4'-P-C4' energy: -88.145 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -138.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1409.230833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.230833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.230833 (E_RNA) where: Base-Base interactions energy: -1000.346 where: short stacking energy: -462.664 Base-Backbone interact. energy: -1.025 local terms energy: -407.859341 where: bonds (distance) C4'-P energy: -55.177 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -82.596 flat angles P-C4'-P energy: -64.907 tors. eta vs tors. theta energy: -119.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1078.217957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.217957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.217957 (E_RNA) where: Base-Base interactions energy: -753.520 where: short stacking energy: -339.695 Base-Backbone interact. energy: -0.512 local terms energy: -324.186445 where: bonds (distance) C4'-P energy: -63.197 bonds (distance) P-C4' energy: -69.146 flat angles C4'-P-C4' energy: -78.459 flat angles P-C4'-P energy: -43.589 tors. eta vs tors. theta energy: -69.796 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: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1978.630943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.630943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.630943 (E_RNA) where: Base-Base interactions energy: -1428.237 where: short stacking energy: -653.178 Base-Backbone interact. energy: -0.963 local terms energy: -549.431149 where: bonds (distance) C4'-P energy: -87.681 bonds (distance) P-C4' energy: -97.584 flat angles C4'-P-C4' energy: -110.381 flat angles P-C4'-P energy: -83.594 tors. eta vs tors. theta energy: -170.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1820.786890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.786890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.786890 (E_RNA) where: Base-Base interactions energy: -1303.552 where: short stacking energy: -589.631 Base-Backbone interact. energy: 5.863 local terms energy: -523.097189 where: bonds (distance) C4'-P energy: -94.718 bonds (distance) P-C4' energy: -88.189 flat angles C4'-P-C4' energy: -110.713 flat angles P-C4'-P energy: -71.287 tors. eta vs tors. theta energy: -158.190 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: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1843.025865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.025865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.025865 (E_RNA) where: Base-Base interactions energy: -1318.332 where: short stacking energy: -597.090 Base-Backbone interact. energy: -2.943 local terms energy: -521.750751 where: bonds (distance) C4'-P energy: -93.310 bonds (distance) P-C4' energy: -92.470 flat angles C4'-P-C4' energy: -116.306 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -149.364 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: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1814.689480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.689480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.689480 (E_RNA) where: Base-Base interactions energy: -1293.263 where: short stacking energy: -579.693 Base-Backbone interact. energy: -3.732 local terms energy: -517.695229 where: bonds (distance) C4'-P energy: -82.161 bonds (distance) P-C4' energy: -89.219 flat angles C4'-P-C4' energy: -104.992 flat angles P-C4'-P energy: -76.269 tors. eta vs tors. theta energy: -165.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1723.143628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.143628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.143628 (E_RNA) where: Base-Base interactions energy: -1241.582 where: short stacking energy: -567.015 Base-Backbone interact. energy: -2.245 local terms energy: -479.316671 where: bonds (distance) C4'-P energy: -92.506 bonds (distance) P-C4' energy: -80.600 flat angles C4'-P-C4' energy: -99.503 flat angles P-C4'-P energy: -62.408 tors. eta vs tors. theta energy: -144.298 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: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1719.006671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.006671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.006671 (E_RNA) where: Base-Base interactions energy: -1226.609 where: short stacking energy: -548.654 Base-Backbone interact. energy: -2.501 local terms energy: -489.896349 where: bonds (distance) C4'-P energy: -88.356 bonds (distance) P-C4' energy: -79.255 flat angles C4'-P-C4' energy: -109.303 flat angles P-C4'-P energy: -66.782 tors. eta vs tors. theta energy: -146.199 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: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1597.845742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.845742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.845742 (E_RNA) where: Base-Base interactions energy: -1137.034 where: short stacking energy: -522.945 Base-Backbone interact. energy: -1.847 local terms energy: -458.964455 where: bonds (distance) C4'-P energy: -83.855 bonds (distance) P-C4' energy: -75.982 flat angles C4'-P-C4' energy: -91.911 flat angles P-C4'-P energy: -65.977 tors. eta vs tors. theta energy: -141.239 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: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1607.590783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.590783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.590783 (E_RNA) where: Base-Base interactions energy: -1151.939 where: short stacking energy: -520.958 Base-Backbone interact. energy: -2.509 local terms energy: -453.143097 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -82.942 flat angles C4'-P-C4' energy: -89.942 flat angles P-C4'-P energy: -65.621 tors. eta vs tors. theta energy: -139.448 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: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1387.729615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.729615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.729615 (E_RNA) where: Base-Base interactions energy: -948.985 where: short stacking energy: -474.516 Base-Backbone interact. energy: -0.313 local terms energy: -438.430753 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -78.915 flat angles C4'-P-C4' energy: -91.981 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -136.943 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: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1097.913829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.913829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.913829 (E_RNA) where: Base-Base interactions energy: -761.932 where: short stacking energy: -343.681 Base-Backbone interact. energy: 1.169 local terms energy: -337.150724 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -76.834 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: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1976.299204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.299204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.299204 (E_RNA) where: Base-Base interactions energy: -1404.191 where: short stacking energy: -644.276 Base-Backbone interact. energy: -0.558 local terms energy: -571.550446 where: bonds (distance) C4'-P energy: -104.814 bonds (distance) P-C4' energy: -98.147 flat angles C4'-P-C4' energy: -115.930 flat angles P-C4'-P energy: -80.261 tors. eta vs tors. theta energy: -172.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1854.254006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.254006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.254006 (E_RNA) where: Base-Base interactions energy: -1323.896 where: short stacking energy: -586.590 Base-Backbone interact. energy: -1.628 local terms energy: -528.729196 where: bonds (distance) C4'-P energy: -91.579 bonds (distance) P-C4' energy: -97.487 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: -153.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1802.391269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.391269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.391269 (E_RNA) where: Base-Base interactions energy: -1293.711 where: short stacking energy: -590.640 Base-Backbone interact. energy: 0.094 local terms energy: -508.774173 where: bonds (distance) C4'-P energy: -88.623 bonds (distance) P-C4' energy: -92.844 flat angles C4'-P-C4' energy: -106.937 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -148.186 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: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1818.994186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.994186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.994186 (E_RNA) where: Base-Base interactions energy: -1289.152 where: short stacking energy: -571.482 Base-Backbone interact. energy: -4.281 local terms energy: -525.561769 where: bonds (distance) C4'-P energy: -81.575 bonds (distance) P-C4' energy: -96.685 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -75.183 tors. eta vs tors. theta energy: -160.187 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: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1726.134715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.134715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.134715 (E_RNA) where: Base-Base interactions energy: -1241.812 where: short stacking energy: -570.714 Base-Backbone interact. energy: -0.169 local terms energy: -484.153598 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -87.438 flat angles C4'-P-C4' energy: -105.341 flat angles P-C4'-P energy: -57.134 tors. eta vs tors. theta energy: -150.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1683.271681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.271681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.271681 (E_RNA) where: Base-Base interactions energy: -1224.767 where: short stacking energy: -533.076 Base-Backbone interact. energy: -2.159 local terms energy: -456.345230 where: bonds (distance) C4'-P energy: -81.496 bonds (distance) P-C4' energy: -80.830 flat angles C4'-P-C4' energy: -97.669 flat angles P-C4'-P energy: -59.795 tors. eta vs tors. theta energy: -136.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1546.122908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.122908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.122908 (E_RNA) where: Base-Base interactions energy: -1106.282 where: short stacking energy: -482.244 Base-Backbone interact. energy: -0.233 local terms energy: -439.607091 where: bonds (distance) C4'-P energy: -77.981 bonds (distance) P-C4' energy: -78.631 flat angles C4'-P-C4' energy: -102.971 flat angles P-C4'-P energy: -44.032 tors. eta vs tors. theta energy: -135.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1571.591054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.591054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.591054 (E_RNA) where: Base-Base interactions energy: -1128.389 where: short stacking energy: -505.463 Base-Backbone interact. energy: -0.693 local terms energy: -442.508372 where: bonds (distance) C4'-P energy: -63.320 bonds (distance) P-C4' energy: -79.746 flat angles C4'-P-C4' energy: -98.322 flat angles P-C4'-P energy: -60.692 tors. eta vs tors. theta energy: -140.428 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: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1408.548358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.548358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.548358 (E_RNA) where: Base-Base interactions energy: -972.491 where: short stacking energy: -467.468 Base-Backbone interact. energy: -2.400 local terms energy: -433.657018 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -77.103 flat angles C4'-P-C4' energy: -90.761 flat angles P-C4'-P energy: -45.012 tors. eta vs tors. theta energy: -125.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1067.895527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.895527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.895527 (E_RNA) where: Base-Base interactions energy: -711.275 where: short stacking energy: -362.609 Base-Backbone interact. energy: -0.227 local terms energy: -356.393706 where: bonds (distance) C4'-P energy: -71.255 bonds (distance) P-C4' energy: -74.579 flat angles C4'-P-C4' energy: -89.168 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -69.724 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: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1987.250792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.250792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.250792 (E_RNA) where: Base-Base interactions energy: -1432.484 where: short stacking energy: -649.274 Base-Backbone interact. energy: -2.621 local terms energy: -552.145574 where: bonds (distance) C4'-P energy: -93.705 bonds (distance) P-C4' energy: -91.159 flat angles C4'-P-C4' energy: -117.890 flat angles P-C4'-P energy: -79.448 tors. eta vs tors. theta energy: -169.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1865.013028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.013028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.013028 (E_RNA) where: Base-Base interactions energy: -1330.884 where: short stacking energy: -594.086 Base-Backbone interact. energy: -0.954 local terms energy: -533.175234 where: bonds (distance) C4'-P energy: -91.676 bonds (distance) P-C4' energy: -99.454 flat angles C4'-P-C4' energy: -110.502 flat angles P-C4'-P energy: -76.747 tors. eta vs tors. theta energy: -154.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1844.277312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.277312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.277312 (E_RNA) where: Base-Base interactions energy: -1323.123 where: short stacking energy: -587.974 Base-Backbone interact. energy: -1.271 local terms energy: -519.883920 where: bonds (distance) C4'-P energy: -97.216 bonds (distance) P-C4' energy: -81.145 flat angles C4'-P-C4' energy: -112.790 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -158.637 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: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1754.891913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.891913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.891913 (E_RNA) where: Base-Base interactions energy: -1271.746 where: short stacking energy: -578.588 Base-Backbone interact. energy: 1.661 local terms energy: -484.807427 where: bonds (distance) C4'-P energy: -89.220 bonds (distance) P-C4' energy: -87.019 flat angles C4'-P-C4' energy: -103.311 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -151.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1714.190561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.190561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.190561 (E_RNA) where: Base-Base interactions energy: -1219.629 where: short stacking energy: -574.175 Base-Backbone interact. energy: -1.263 local terms energy: -493.298268 where: bonds (distance) C4'-P energy: -84.319 bonds (distance) P-C4' energy: -95.269 flat angles C4'-P-C4' energy: -105.842 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: -149.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1671.487643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.487643 (E_RNA) where: Base-Base interactions energy: -1195.229 where: short stacking energy: -539.221 Base-Backbone interact. energy: 0.166 local terms energy: -476.424716 where: bonds (distance) C4'-P energy: -69.415 bonds (distance) P-C4' energy: -88.724 flat angles C4'-P-C4' energy: -100.478 flat angles P-C4'-P energy: -68.948 tors. eta vs tors. theta energy: -148.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1614.610481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.610481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.610481 (E_RNA) where: Base-Base interactions energy: -1163.604 where: short stacking energy: -533.690 Base-Backbone interact. energy: -0.710 local terms energy: -450.295717 where: bonds (distance) C4'-P energy: -70.878 bonds (distance) P-C4' energy: -78.921 flat angles C4'-P-C4' energy: -100.346 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: -137.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1562.842979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.842979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.842979 (E_RNA) where: Base-Base interactions energy: -1116.327 where: short stacking energy: -524.986 Base-Backbone interact. energy: -1.555 local terms energy: -444.960666 where: bonds (distance) C4'-P energy: -73.580 bonds (distance) P-C4' energy: -78.476 flat angles C4'-P-C4' energy: -95.933 flat angles P-C4'-P energy: -61.730 tors. eta vs tors. theta energy: -135.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1413.577676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.577676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.577676 (E_RNA) where: Base-Base interactions energy: -973.276 where: short stacking energy: -447.240 Base-Backbone interact. energy: -2.196 local terms energy: -438.105962 where: bonds (distance) C4'-P energy: -85.831 bonds (distance) P-C4' energy: -83.304 flat angles C4'-P-C4' energy: -99.102 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -119.923 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: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1122.608304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.608304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.608304 (E_RNA) where: Base-Base interactions energy: -780.232 where: short stacking energy: -355.105 Base-Backbone interact. energy: -0.084 local terms energy: -342.292706 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -76.647 flat angles C4'-P-C4' energy: -74.190 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -75.495 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: 301 Temperature: 0.900000 Total energy: -1987.637791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.637791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.637791 (E_RNA) where: Base-Base interactions energy: -1423.455 where: short stacking energy: -640.117 Base-Backbone interact. energy: -2.420 local terms energy: -561.762976 where: bonds (distance) C4'-P energy: -98.935 bonds (distance) P-C4' energy: -103.723 flat angles C4'-P-C4' energy: -104.870 flat angles P-C4'-P energy: -78.266 tors. eta vs tors. theta energy: -175.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1857.518863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.518863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.518863 (E_RNA) where: Base-Base interactions energy: -1343.602 where: short stacking energy: -598.432 Base-Backbone interact. energy: -1.588 local terms energy: -512.328533 where: bonds (distance) C4'-P energy: -90.472 bonds (distance) P-C4' energy: -88.222 flat angles C4'-P-C4' energy: -108.646 flat angles P-C4'-P energy: -70.505 tors. eta vs tors. theta energy: -154.483 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: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1875.210297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.210297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.210297 (E_RNA) where: Base-Base interactions energy: -1345.039 where: short stacking energy: -610.308 Base-Backbone interact. energy: -1.612 local terms energy: -528.558593 where: bonds (distance) C4'-P energy: -86.210 bonds (distance) P-C4' energy: -90.301 flat angles C4'-P-C4' energy: -103.558 flat angles P-C4'-P energy: -77.907 tors. eta vs tors. theta energy: -170.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1770.543936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.543936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.543936 (E_RNA) where: Base-Base interactions energy: -1271.845 where: short stacking energy: -571.000 Base-Backbone interact. energy: 3.950 local terms energy: -502.649069 where: bonds (distance) C4'-P energy: -89.899 bonds (distance) P-C4' energy: -83.685 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -69.084 tors. eta vs tors. theta energy: -151.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1706.112985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.112985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.112985 (E_RNA) where: Base-Base interactions energy: -1247.222 where: short stacking energy: -563.415 Base-Backbone interact. energy: -2.228 local terms energy: -456.662591 where: bonds (distance) C4'-P energy: -76.806 bonds (distance) P-C4' energy: -70.452 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -147.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1691.682578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.682578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.682578 (E_RNA) where: Base-Base interactions energy: -1200.876 where: short stacking energy: -530.144 Base-Backbone interact. energy: -3.270 local terms energy: -487.536705 where: bonds (distance) C4'-P energy: -85.559 bonds (distance) P-C4' energy: -85.325 flat angles C4'-P-C4' energy: -103.977 flat angles P-C4'-P energy: -69.489 tors. eta vs tors. theta energy: -143.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1592.373879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.373879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.373879 (E_RNA) where: Base-Base interactions energy: -1113.114 where: short stacking energy: -522.856 Base-Backbone interact. energy: -2.466 local terms energy: -476.793625 where: bonds (distance) C4'-P energy: -83.465 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -107.105 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -141.184 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: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1486.937532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.937532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.937532 (E_RNA) where: Base-Base interactions energy: -1046.396 where: short stacking energy: -482.749 Base-Backbone interact. energy: -1.532 local terms energy: -439.009640 where: bonds (distance) C4'-P energy: -80.877 bonds (distance) P-C4' energy: -82.282 flat angles C4'-P-C4' energy: -93.701 flat angles P-C4'-P energy: -52.789 tors. eta vs tors. theta energy: -129.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1464.022854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.022854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.022854 (E_RNA) where: Base-Base interactions energy: -1000.568 where: short stacking energy: -482.460 Base-Backbone interact. energy: -1.772 local terms energy: -461.682471 where: bonds (distance) C4'-P energy: -88.232 bonds (distance) P-C4' energy: -81.316 flat angles C4'-P-C4' energy: -99.554 flat angles P-C4'-P energy: -59.364 tors. eta vs tors. theta energy: -133.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1088.864609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.864609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.864609 (E_RNA) where: Base-Base interactions energy: -736.085 where: short stacking energy: -364.898 Base-Backbone interact. energy: -0.398 local terms energy: -352.381542 where: bonds (distance) C4'-P energy: -73.021 bonds (distance) P-C4' energy: -73.372 flat angles C4'-P-C4' energy: -88.746 flat angles P-C4'-P energy: -32.442 tors. eta vs tors. theta energy: -84.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1978.769003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.769003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.769003 (E_RNA) where: Base-Base interactions energy: -1412.795 where: short stacking energy: -641.991 Base-Backbone interact. energy: 0.610 local terms energy: -566.583846 where: bonds (distance) C4'-P energy: -92.750 bonds (distance) P-C4' energy: -101.039 flat angles C4'-P-C4' energy: -121.138 flat angles P-C4'-P energy: -78.204 tors. eta vs tors. theta energy: -173.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1850.045962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.045962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.045962 (E_RNA) where: Base-Base interactions energy: -1317.692 where: short stacking energy: -590.798 Base-Backbone interact. energy: -4.382 local terms energy: -527.971898 where: bonds (distance) C4'-P energy: -91.541 bonds (distance) P-C4' energy: -93.355 flat angles C4'-P-C4' energy: -115.381 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -156.637 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: 302 Temperature: 1.000000 Total energy: -1850.267599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.267599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.267599 (E_RNA) where: Base-Base interactions energy: -1322.873 where: short stacking energy: -602.596 Base-Backbone interact. energy: 0.036 local terms energy: -527.430744 where: bonds (distance) C4'-P energy: -95.228 bonds (distance) P-C4' energy: -84.057 flat angles C4'-P-C4' energy: -108.237 flat angles P-C4'-P energy: -71.361 tors. eta vs tors. theta energy: -168.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1760.451113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.451113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.451113 (E_RNA) where: Base-Base interactions energy: -1267.004 where: short stacking energy: -553.266 Base-Backbone interact. energy: -1.566 local terms energy: -491.881211 where: bonds (distance) C4'-P energy: -86.533 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -102.807 flat angles P-C4'-P energy: -66.185 tors. eta vs tors. theta energy: -152.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1698.918687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.918687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.918687 (E_RNA) where: Base-Base interactions energy: -1226.627 where: short stacking energy: -559.798 Base-Backbone interact. energy: -1.249 local terms energy: -471.043186 where: bonds (distance) C4'-P energy: -81.735 bonds (distance) P-C4' energy: -78.339 flat angles C4'-P-C4' energy: -101.025 flat angles P-C4'-P energy: -59.951 tors. eta vs tors. theta energy: -149.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1677.300034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.300034 (E_RNA) where: Base-Base interactions energy: -1224.306 where: short stacking energy: -566.788 Base-Backbone interact. energy: -1.542 local terms energy: -451.451857 where: bonds (distance) C4'-P energy: -82.032 bonds (distance) P-C4' energy: -78.924 flat angles C4'-P-C4' energy: -88.963 flat angles P-C4'-P energy: -62.742 tors. eta vs tors. theta energy: -138.791 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: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1604.122436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.122436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.122436 (E_RNA) where: Base-Base interactions energy: -1152.678 where: short stacking energy: -520.872 Base-Backbone interact. energy: 0.256 local terms energy: -451.700421 where: bonds (distance) C4'-P energy: -73.892 bonds (distance) P-C4' energy: -81.214 flat angles C4'-P-C4' energy: -95.491 flat angles P-C4'-P energy: -56.332 tors. eta vs tors. theta energy: -144.771 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: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1533.449084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.449084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.449084 (E_RNA) where: Base-Base interactions energy: -1088.325 where: short stacking energy: -507.437 Base-Backbone interact. energy: 1.909 local terms energy: -447.032925 where: bonds (distance) C4'-P energy: -77.043 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -101.580 flat angles P-C4'-P energy: -56.365 tors. eta vs tors. theta energy: -139.146 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: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1451.924799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.924799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.924799 (E_RNA) where: Base-Base interactions energy: -1039.805 where: short stacking energy: -526.368 Base-Backbone interact. energy: 0.032 local terms energy: -412.151065 where: bonds (distance) C4'-P energy: -66.974 bonds (distance) P-C4' energy: -75.684 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -52.792 tors. eta vs tors. theta energy: -139.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1207.183828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.183828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.183828 (E_RNA) where: Base-Base interactions energy: -806.579 where: short stacking energy: -410.816 Base-Backbone interact. energy: -3.784 local terms energy: -396.820327 where: bonds (distance) C4'-P energy: -78.350 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -76.125 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: -103.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1991.790478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.790478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.790478 (E_RNA) where: Base-Base interactions energy: -1418.891 where: short stacking energy: -658.070 Base-Backbone interact. energy: -0.883 local terms energy: -572.016504 where: bonds (distance) C4'-P energy: -101.341 bonds (distance) P-C4' energy: -96.973 flat angles C4'-P-C4' energy: -124.798 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -170.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1852.386279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.386279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.386279 (E_RNA) where: Base-Base interactions energy: -1332.527 where: short stacking energy: -583.740 Base-Backbone interact. energy: -2.902 local terms energy: -516.956671 where: bonds (distance) C4'-P energy: -97.971 bonds (distance) P-C4' energy: -88.389 flat angles C4'-P-C4' energy: -108.334 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -149.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1846.915140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.915140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.915140 (E_RNA) where: Base-Base interactions energy: -1310.668 where: short stacking energy: -600.263 Base-Backbone interact. energy: -2.798 local terms energy: -533.449793 where: bonds (distance) C4'-P energy: -91.371 bonds (distance) P-C4' energy: -88.345 flat angles C4'-P-C4' energy: -111.372 flat angles P-C4'-P energy: -76.608 tors. eta vs tors. theta energy: -165.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1775.687619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.687619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.687619 (E_RNA) where: Base-Base interactions energy: -1273.538 where: short stacking energy: -589.939 Base-Backbone interact. energy: 4.019 local terms energy: -506.168563 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -81.715 flat angles C4'-P-C4' energy: -110.804 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -147.520 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: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1707.851601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.851601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.851601 (E_RNA) where: Base-Base interactions energy: -1219.693 where: short stacking energy: -562.524 Base-Backbone interact. energy: -3.360 local terms energy: -484.799051 where: bonds (distance) C4'-P energy: -82.342 bonds (distance) P-C4' energy: -85.723 flat angles C4'-P-C4' energy: -105.797 flat angles P-C4'-P energy: -65.739 tors. eta vs tors. theta energy: -145.198 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: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1698.897155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.897155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.897155 (E_RNA) where: Base-Base interactions energy: -1201.281 where: short stacking energy: -519.917 Base-Backbone interact. energy: -0.677 local terms energy: -496.939146 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -91.660 flat angles C4'-P-C4' energy: -101.768 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -142.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1573.335499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.335499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.335499 (E_RNA) where: Base-Base interactions energy: -1132.040 where: short stacking energy: -549.000 Base-Backbone interact. energy: -2.055 local terms energy: -439.240051 where: bonds (distance) C4'-P energy: -72.411 bonds (distance) P-C4' energy: -65.050 flat angles C4'-P-C4' energy: -97.759 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -142.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1554.480679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.480679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.480679 (E_RNA) where: Base-Base interactions energy: -1115.154 where: short stacking energy: -500.866 Base-Backbone interact. energy: -4.842 local terms energy: -434.484720 where: bonds (distance) C4'-P energy: -70.662 bonds (distance) P-C4' energy: -78.793 flat angles C4'-P-C4' energy: -94.405 flat angles P-C4'-P energy: -51.084 tors. eta vs tors. theta energy: -139.541 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: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1444.354521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.354521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.354521 (E_RNA) where: Base-Base interactions energy: -1003.390 where: short stacking energy: -474.335 Base-Backbone interact. energy: -0.746 local terms energy: -440.218621 where: bonds (distance) C4'-P energy: -69.128 bonds (distance) P-C4' energy: -80.373 flat angles C4'-P-C4' energy: -104.808 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -132.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1227.420293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.420293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.420293 (E_RNA) where: Base-Base interactions energy: -842.476 where: short stacking energy: -390.669 Base-Backbone interact. energy: -3.322 local terms energy: -381.622764 where: bonds (distance) C4'-P energy: -64.436 bonds (distance) P-C4' energy: -75.768 flat angles C4'-P-C4' energy: -100.078 flat angles P-C4'-P energy: -47.558 tors. eta vs tors. theta energy: -93.783 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: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1997.481036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.481036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.481036 (E_RNA) where: Base-Base interactions energy: -1431.488 where: short stacking energy: -663.698 Base-Backbone interact. energy: -0.531 local terms energy: -565.462295 where: bonds (distance) C4'-P energy: -91.597 bonds (distance) P-C4' energy: -86.403 flat angles C4'-P-C4' energy: -120.977 flat angles P-C4'-P energy: -88.890 tors. eta vs tors. theta energy: -177.595 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: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1850.409230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.409230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.409230 (E_RNA) where: Base-Base interactions energy: -1332.024 where: short stacking energy: -586.972 Base-Backbone interact. energy: -2.937 local terms energy: -515.448489 where: bonds (distance) C4'-P energy: -95.152 bonds (distance) P-C4' energy: -78.856 flat angles C4'-P-C4' energy: -114.913 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -155.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1856.254574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.254574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.254574 (E_RNA) where: Base-Base interactions energy: -1325.984 where: short stacking energy: -607.487 Base-Backbone interact. energy: -2.808 local terms energy: -527.462046 where: bonds (distance) C4'-P energy: -88.107 bonds (distance) P-C4' energy: -96.094 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -68.958 tors. eta vs tors. theta energy: -162.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1772.146849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.146849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.146849 (E_RNA) where: Base-Base interactions energy: -1278.937 where: short stacking energy: -580.702 Base-Backbone interact. energy: 2.437 local terms energy: -495.647525 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -77.703 tors. eta vs tors. theta energy: -151.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1715.755359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.755359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.755359 (E_RNA) where: Base-Base interactions energy: -1229.893 where: short stacking energy: -535.858 Base-Backbone interact. energy: -2.183 local terms energy: -483.678881 where: bonds (distance) C4'-P energy: -76.409 bonds (distance) P-C4' energy: -91.965 flat angles C4'-P-C4' energy: -104.911 flat angles P-C4'-P energy: -65.496 tors. eta vs tors. theta energy: -144.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1694.848753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.848753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.848753 (E_RNA) where: Base-Base interactions energy: -1213.921 where: short stacking energy: -540.527 Base-Backbone interact. energy: -1.940 local terms energy: -478.987834 where: bonds (distance) C4'-P energy: -81.836 bonds (distance) P-C4' energy: -81.308 flat angles C4'-P-C4' energy: -99.647 flat angles P-C4'-P energy: -62.356 tors. eta vs tors. theta energy: -153.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1582.980085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.980085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.980085 (E_RNA) where: Base-Base interactions energy: -1140.763 where: short stacking energy: -526.459 Base-Backbone interact. energy: -2.456 local terms energy: -439.760795 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -94.139 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -134.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1591.389471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.389471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.389471 (E_RNA) where: Base-Base interactions energy: -1139.951 where: short stacking energy: -522.070 Base-Backbone interact. energy: 2.820 local terms energy: -454.257677 where: bonds (distance) C4'-P energy: -71.903 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -82.710 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: -143.042 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: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1423.890136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.890136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.890136 (E_RNA) where: Base-Base interactions energy: -1025.654 where: short stacking energy: -484.474 Base-Backbone interact. energy: -0.502 local terms energy: -397.733262 where: bonds (distance) C4'-P energy: -64.500 bonds (distance) P-C4' energy: -69.229 flat angles C4'-P-C4' energy: -82.197 flat angles P-C4'-P energy: -62.700 tors. eta vs tors. theta energy: -119.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1260.682896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.682896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.682896 (E_RNA) where: Base-Base interactions energy: -892.689 where: short stacking energy: -380.590 Base-Backbone interact. energy: -1.855 local terms energy: -366.138448 where: bonds (distance) C4'-P energy: -70.916 bonds (distance) P-C4' energy: -73.120 flat angles C4'-P-C4' energy: -82.842 flat angles P-C4'-P energy: -40.340 tors. eta vs tors. theta energy: -98.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1981.673921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.673921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.673921 (E_RNA) where: Base-Base interactions energy: -1415.826 where: short stacking energy: -650.666 Base-Backbone interact. energy: 0.065 local terms energy: -565.913062 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -89.251 flat angles C4'-P-C4' energy: -112.599 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -168.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1863.180390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.180390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.180390 (E_RNA) where: Base-Base interactions energy: -1330.983 where: short stacking energy: -581.168 Base-Backbone interact. energy: -3.521 local terms energy: -528.676728 where: bonds (distance) C4'-P energy: -88.432 bonds (distance) P-C4' energy: -96.303 flat angles C4'-P-C4' energy: -109.493 flat angles P-C4'-P energy: -75.695 tors. eta vs tors. theta energy: -158.754 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: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1853.545013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.545013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.545013 (E_RNA) where: Base-Base interactions energy: -1337.114 where: short stacking energy: -590.807 Base-Backbone interact. energy: -4.204 local terms energy: -512.226941 where: bonds (distance) C4'-P energy: -89.032 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -114.555 flat angles P-C4'-P energy: -68.226 tors. eta vs tors. theta energy: -158.231 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: 305 Temperature: 1.050000 Total energy: -1766.473530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.473530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.473530 (E_RNA) where: Base-Base interactions energy: -1277.273 where: short stacking energy: -566.334 Base-Backbone interact. energy: 0.817 local terms energy: -490.018151 where: bonds (distance) C4'-P energy: -82.008 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -102.203 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: -153.892 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: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1716.889297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.889297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.889297 (E_RNA) where: Base-Base interactions energy: -1223.121 where: short stacking energy: -562.177 Base-Backbone interact. energy: -3.009 local terms energy: -490.758757 where: bonds (distance) C4'-P energy: -91.595 bonds (distance) P-C4' energy: -75.803 flat angles C4'-P-C4' energy: -112.687 flat angles P-C4'-P energy: -62.541 tors. eta vs tors. theta energy: -148.133 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1697.324761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.324761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.324761 (E_RNA) where: Base-Base interactions energy: -1209.602 where: short stacking energy: -563.161 Base-Backbone interact. energy: -1.703 local terms energy: -486.020561 where: bonds (distance) C4'-P energy: -97.501 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -102.973 flat angles P-C4'-P energy: -58.405 tors. eta vs tors. theta energy: -153.883 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: 305 Temperature: 1.200000 Total energy: -1611.978056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.978056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.978056 (E_RNA) where: Base-Base interactions energy: -1152.657 where: short stacking energy: -507.817 Base-Backbone interact. energy: -2.914 local terms energy: -456.407655 where: bonds (distance) C4'-P energy: -70.548 bonds (distance) P-C4' energy: -83.513 flat angles C4'-P-C4' energy: -98.593 flat angles P-C4'-P energy: -66.252 tors. eta vs tors. theta energy: -137.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1562.239798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.239798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.239798 (E_RNA) where: Base-Base interactions energy: -1117.735 where: short stacking energy: -483.944 Base-Backbone interact. energy: -2.434 local terms energy: -442.071066 where: bonds (distance) C4'-P energy: -72.500 bonds (distance) P-C4' energy: -86.040 flat angles C4'-P-C4' energy: -94.583 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -137.755 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: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1432.066188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.066188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.066188 (E_RNA) where: Base-Base interactions energy: -1009.529 where: short stacking energy: -481.827 Base-Backbone interact. energy: -0.248 local terms energy: -422.289395 where: bonds (distance) C4'-P energy: -65.602 bonds (distance) P-C4' energy: -85.637 flat angles C4'-P-C4' energy: -90.869 flat angles P-C4'-P energy: -51.970 tors. eta vs tors. theta energy: -128.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1271.475510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.475510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.475510 (E_RNA) where: Base-Base interactions energy: -924.702 where: short stacking energy: -409.515 Base-Backbone interact. energy: -2.484 local terms energy: -344.289185 where: bonds (distance) C4'-P energy: -65.502 bonds (distance) P-C4' energy: -58.780 flat angles C4'-P-C4' energy: -81.732 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: -93.987 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: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1981.195767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.195767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.195767 (E_RNA) where: Base-Base interactions energy: -1436.897 where: short stacking energy: -658.484 Base-Backbone interact. energy: -0.890 local terms energy: -543.409360 where: bonds (distance) C4'-P energy: -86.772 bonds (distance) P-C4' energy: -85.446 flat angles C4'-P-C4' energy: -113.605 flat angles P-C4'-P energy: -83.738 tors. eta vs tors. theta energy: -173.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1872.470466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.470466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.470466 (E_RNA) where: Base-Base interactions energy: -1354.859 where: short stacking energy: -608.844 Base-Backbone interact. energy: -1.660 local terms energy: -515.951426 where: bonds (distance) C4'-P energy: -90.130 bonds (distance) P-C4' energy: -82.454 flat angles C4'-P-C4' energy: -111.828 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -159.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1866.266778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.266778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.266778 (E_RNA) where: Base-Base interactions energy: -1351.684 where: short stacking energy: -599.198 Base-Backbone interact. energy: -3.255 local terms energy: -511.328324 where: bonds (distance) C4'-P energy: -76.872 bonds (distance) P-C4' energy: -89.780 flat angles C4'-P-C4' energy: -109.082 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -163.632 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: 306 Temperature: 1.050000 Total energy: -1774.038491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.038491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.038491 (E_RNA) where: Base-Base interactions energy: -1261.651 where: short stacking energy: -574.834 Base-Backbone interact. energy: -2.365 local terms energy: -510.022260 where: bonds (distance) C4'-P energy: -85.786 bonds (distance) P-C4' energy: -90.110 flat angles C4'-P-C4' energy: -112.913 flat angles P-C4'-P energy: -72.301 tors. eta vs tors. theta energy: -148.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1726.227513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.227513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.227513 (E_RNA) where: Base-Base interactions energy: -1240.737 where: short stacking energy: -559.669 Base-Backbone interact. energy: 0.741 local terms energy: -486.231473 where: bonds (distance) C4'-P energy: -84.513 bonds (distance) P-C4' energy: -90.856 flat angles C4'-P-C4' energy: -98.421 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -152.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1692.744444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.744444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.744444 (E_RNA) where: Base-Base interactions energy: -1216.590 where: short stacking energy: -534.360 Base-Backbone interact. energy: -0.301 local terms energy: -475.853493 where: bonds (distance) C4'-P energy: -95.998 bonds (distance) P-C4' energy: -70.500 flat angles C4'-P-C4' energy: -103.592 flat angles P-C4'-P energy: -61.638 tors. eta vs tors. theta energy: -144.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1602.810580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.810580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.810580 (E_RNA) where: Base-Base interactions energy: -1136.279 where: short stacking energy: -519.343 Base-Backbone interact. energy: 2.397 local terms energy: -468.928927 where: bonds (distance) C4'-P energy: -73.615 bonds (distance) P-C4' energy: -83.158 flat angles C4'-P-C4' energy: -103.099 flat angles P-C4'-P energy: -64.795 tors. eta vs tors. theta energy: -144.261 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: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1561.346178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.346178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.346178 (E_RNA) where: Base-Base interactions energy: -1150.334 where: short stacking energy: -505.017 Base-Backbone interact. energy: -0.935 local terms energy: -410.077506 where: bonds (distance) C4'-P energy: -77.260 bonds (distance) P-C4' energy: -74.678 flat angles C4'-P-C4' energy: -83.684 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -133.426 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: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1378.524524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.524524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.524524 (E_RNA) where: Base-Base interactions energy: -958.560 where: short stacking energy: -449.842 Base-Backbone interact. energy: -1.949 local terms energy: -418.015385 where: bonds (distance) C4'-P energy: -78.909 bonds (distance) P-C4' energy: -83.495 flat angles C4'-P-C4' energy: -91.877 flat angles P-C4'-P energy: -41.075 tors. eta vs tors. theta energy: -122.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1253.935069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.935069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.935069 (E_RNA) where: Base-Base interactions energy: -877.798 where: short stacking energy: -390.041 Base-Backbone interact. energy: 0.183 local terms energy: -376.319360 where: bonds (distance) C4'-P energy: -78.301 bonds (distance) P-C4' energy: -63.674 flat angles C4'-P-C4' energy: -98.907 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -87.903 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: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1973.229276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.229276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.229276 (E_RNA) where: Base-Base interactions energy: -1419.146 where: short stacking energy: -656.896 Base-Backbone interact. energy: -1.360 local terms energy: -552.723281 where: bonds (distance) C4'-P energy: -90.939 bonds (distance) P-C4' energy: -92.547 flat angles C4'-P-C4' energy: -113.162 flat angles P-C4'-P energy: -85.459 tors. eta vs tors. theta energy: -170.616 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: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1840.841993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.841993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.841993 (E_RNA) where: Base-Base interactions energy: -1313.210 where: short stacking energy: -602.279 Base-Backbone interact. energy: -3.816 local terms energy: -523.816754 where: bonds (distance) C4'-P energy: -86.566 bonds (distance) P-C4' energy: -90.695 flat angles C4'-P-C4' energy: -111.923 flat angles P-C4'-P energy: -74.245 tors. eta vs tors. theta energy: -160.387 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: 3, replica: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1839.957526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.957526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.957526 (E_RNA) where: Base-Base interactions energy: -1321.669 where: short stacking energy: -598.942 Base-Backbone interact. energy: -2.457 local terms energy: -515.832189 where: bonds (distance) C4'-P energy: -89.423 bonds (distance) P-C4' energy: -84.394 flat angles C4'-P-C4' energy: -104.552 flat angles P-C4'-P energy: -74.300 tors. eta vs tors. theta energy: -163.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1766.194617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.194617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.194617 (E_RNA) where: Base-Base interactions energy: -1285.330 where: short stacking energy: -575.407 Base-Backbone interact. energy: -2.043 local terms energy: -478.821631 where: bonds (distance) C4'-P energy: -82.960 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -109.389 flat angles P-C4'-P energy: -55.991 tors. eta vs tors. theta energy: -151.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1735.984708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.984708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.984708 (E_RNA) where: Base-Base interactions energy: -1256.988 where: short stacking energy: -559.216 Base-Backbone interact. energy: -1.462 local terms energy: -477.534760 where: bonds (distance) C4'-P energy: -79.071 bonds (distance) P-C4' energy: -92.659 flat angles C4'-P-C4' energy: -102.475 flat angles P-C4'-P energy: -51.303 tors. eta vs tors. theta energy: -152.027 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: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1671.619228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.619228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.619228 (E_RNA) where: Base-Base interactions energy: -1190.843 where: short stacking energy: -525.157 Base-Backbone interact. energy: -3.014 local terms energy: -477.762164 where: bonds (distance) C4'-P energy: -90.126 bonds (distance) P-C4' energy: -74.748 flat angles C4'-P-C4' energy: -95.751 flat angles P-C4'-P energy: -71.175 tors. eta vs tors. theta energy: -145.962 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: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1631.666518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.666518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.666518 (E_RNA) where: Base-Base interactions energy: -1185.227 where: short stacking energy: -509.796 Base-Backbone interact. energy: 1.135 local terms energy: -447.574067 where: bonds (distance) C4'-P energy: -88.918 bonds (distance) P-C4' energy: -78.250 flat angles C4'-P-C4' energy: -85.010 flat angles P-C4'-P energy: -55.980 tors. eta vs tors. theta energy: -139.416 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: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1546.129694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.129694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.129694 (E_RNA) where: Base-Base interactions energy: -1136.577 where: short stacking energy: -510.933 Base-Backbone interact. energy: 0.450 local terms energy: -410.003202 where: bonds (distance) C4'-P energy: -74.583 bonds (distance) P-C4' energy: -62.066 flat angles C4'-P-C4' energy: -92.522 flat angles P-C4'-P energy: -51.009 tors. eta vs tors. theta energy: -129.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1442.650149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.650149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.650149 (E_RNA) where: Base-Base interactions energy: -1005.127 where: short stacking energy: -462.432 Base-Backbone interact. energy: -2.054 local terms energy: -435.469349 where: bonds (distance) C4'-P energy: -70.864 bonds (distance) P-C4' energy: -85.647 flat angles C4'-P-C4' energy: -99.445 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -125.090 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: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1259.410290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.410290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.410290 (E_RNA) where: Base-Base interactions energy: -895.714 where: short stacking energy: -430.943 Base-Backbone interact. energy: 0.439 local terms energy: -364.135233 where: bonds (distance) C4'-P energy: -68.274 bonds (distance) P-C4' energy: -76.231 flat angles C4'-P-C4' energy: -85.588 flat angles P-C4'-P energy: -35.086 tors. eta vs tors. theta energy: -98.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1969.414809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.414809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.414809 (E_RNA) where: Base-Base interactions energy: -1395.604 where: short stacking energy: -636.035 Base-Backbone interact. energy: -1.336 local terms energy: -572.474498 where: bonds (distance) C4'-P energy: -98.449 bonds (distance) P-C4' energy: -108.994 flat angles C4'-P-C4' energy: -112.899 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -172.580 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: 308 Temperature: 0.950000 Total energy: -1848.736771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.736771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.736771 (E_RNA) where: Base-Base interactions energy: -1329.008 where: short stacking energy: -601.749 Base-Backbone interact. energy: -2.422 local terms energy: -517.306890 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -94.686 flat angles C4'-P-C4' energy: -111.012 flat angles P-C4'-P energy: -68.384 tors. eta vs tors. theta energy: -156.895 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: 308 Temperature: 1.000000 Total energy: -1860.527154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.527154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.527154 (E_RNA) where: Base-Base interactions energy: -1317.421 where: short stacking energy: -590.326 Base-Backbone interact. energy: -0.966 local terms energy: -542.139747 where: bonds (distance) C4'-P energy: -93.975 bonds (distance) P-C4' energy: -98.311 flat angles C4'-P-C4' energy: -115.848 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -160.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1771.440002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.440002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.440002 (E_RNA) where: Base-Base interactions energy: -1266.307 where: short stacking energy: -587.663 Base-Backbone interact. energy: -1.146 local terms energy: -503.987341 where: bonds (distance) C4'-P energy: -87.105 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -104.651 flat angles P-C4'-P energy: -73.836 tors. eta vs tors. theta energy: -156.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1721.456350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.456350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.456350 (E_RNA) where: Base-Base interactions energy: -1230.364 where: short stacking energy: -548.186 Base-Backbone interact. energy: -1.696 local terms energy: -489.396119 where: bonds (distance) C4'-P energy: -82.796 bonds (distance) P-C4' energy: -94.957 flat angles C4'-P-C4' energy: -98.617 flat angles P-C4'-P energy: -62.690 tors. eta vs tors. theta energy: -150.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1639.732216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.732216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.732216 (E_RNA) where: Base-Base interactions energy: -1155.686 where: short stacking energy: -525.413 Base-Backbone interact. energy: -2.159 local terms energy: -481.887474 where: bonds (distance) C4'-P energy: -93.891 bonds (distance) P-C4' energy: -85.364 flat angles C4'-P-C4' energy: -101.604 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -146.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1602.948672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.948672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.948672 (E_RNA) where: Base-Base interactions energy: -1153.353 where: short stacking energy: -517.035 Base-Backbone interact. energy: 2.440 local terms energy: -452.035943 where: bonds (distance) C4'-P energy: -82.844 bonds (distance) P-C4' energy: -80.618 flat angles C4'-P-C4' energy: -92.344 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -139.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1563.377550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.377550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.377550 (E_RNA) where: Base-Base interactions energy: -1132.448 where: short stacking energy: -519.459 Base-Backbone interact. energy: -0.939 local terms energy: -429.991243 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -96.192 flat angles P-C4'-P energy: -58.407 tors. eta vs tors. theta energy: -135.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1385.603013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.603013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.603013 (E_RNA) where: Base-Base interactions energy: -983.816 where: short stacking energy: -467.149 Base-Backbone interact. energy: 0.299 local terms energy: -402.085972 where: bonds (distance) C4'-P energy: -64.091 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -90.534 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -107.596 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: 308 Temperature: 1.350000 Total energy: -1278.336584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.336584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.336584 (E_RNA) where: Base-Base interactions energy: -888.999 where: short stacking energy: -415.879 Base-Backbone interact. energy: -0.151 local terms energy: -389.186442 where: bonds (distance) C4'-P energy: -73.814 bonds (distance) P-C4' energy: -73.325 flat angles C4'-P-C4' energy: -88.007 flat angles P-C4'-P energy: -55.463 tors. eta vs tors. theta energy: -98.578 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: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1986.535818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.535818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.535818 (E_RNA) where: Base-Base interactions energy: -1432.493 where: short stacking energy: -664.685 Base-Backbone interact. energy: -0.910 local terms energy: -553.132425 where: bonds (distance) C4'-P energy: -98.867 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -115.446 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -172.077 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: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1892.718443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.718443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.718443 (E_RNA) where: Base-Base interactions energy: -1351.522 where: short stacking energy: -609.275 Base-Backbone interact. energy: -0.091 local terms energy: -541.105336 where: bonds (distance) C4'-P energy: -81.541 bonds (distance) P-C4' energy: -106.487 flat angles C4'-P-C4' energy: -111.196 flat angles P-C4'-P energy: -77.535 tors. eta vs tors. theta energy: -164.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1830.735775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.735775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.735775 (E_RNA) where: Base-Base interactions energy: -1301.875 where: short stacking energy: -592.957 Base-Backbone interact. energy: -3.489 local terms energy: -525.371634 where: bonds (distance) C4'-P energy: -93.832 bonds (distance) P-C4' energy: -93.517 flat angles C4'-P-C4' energy: -111.393 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -149.417 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1767.748158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.748158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.748158 (E_RNA) where: Base-Base interactions energy: -1266.198 where: short stacking energy: -572.772 Base-Backbone interact. energy: -1.666 local terms energy: -499.884161 where: bonds (distance) C4'-P energy: -76.167 bonds (distance) P-C4' energy: -87.329 flat angles C4'-P-C4' energy: -114.828 flat angles P-C4'-P energy: -66.169 tors. eta vs tors. theta energy: -155.391 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1710.711608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.711608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.711608 (E_RNA) where: Base-Base interactions energy: -1212.028 where: short stacking energy: -553.755 Base-Backbone interact. energy: -1.120 local terms energy: -497.563625 where: bonds (distance) C4'-P energy: -84.007 bonds (distance) P-C4' energy: -89.751 flat angles C4'-P-C4' energy: -102.387 flat angles P-C4'-P energy: -70.169 tors. eta vs tors. theta energy: -151.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1645.340120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.340120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.340120 (E_RNA) where: Base-Base interactions energy: -1162.913 where: short stacking energy: -542.024 Base-Backbone interact. energy: 0.326 local terms energy: -482.752780 where: bonds (distance) C4'-P energy: -77.351 bonds (distance) P-C4' energy: -85.964 flat angles C4'-P-C4' energy: -109.049 flat angles P-C4'-P energy: -63.554 tors. eta vs tors. theta energy: -146.835 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: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1590.244933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.244933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.244933 (E_RNA) where: Base-Base interactions energy: -1150.220 where: short stacking energy: -530.734 Base-Backbone interact. energy: -1.312 local terms energy: -438.712990 where: bonds (distance) C4'-P energy: -80.345 bonds (distance) P-C4' energy: -62.724 flat angles C4'-P-C4' energy: -100.392 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -135.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1555.395939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.395939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.395939 (E_RNA) where: Base-Base interactions energy: -1118.877 where: short stacking energy: -487.043 Base-Backbone interact. energy: -2.155 local terms energy: -434.364309 where: bonds (distance) C4'-P energy: -65.578 bonds (distance) P-C4' energy: -82.796 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -137.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1424.366905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.366905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.366905 (E_RNA) where: Base-Base interactions energy: -994.845 where: short stacking energy: -467.666 Base-Backbone interact. energy: -0.139 local terms energy: -429.383235 where: bonds (distance) C4'-P energy: -68.099 bonds (distance) P-C4' energy: -81.497 flat angles C4'-P-C4' energy: -100.625 flat angles P-C4'-P energy: -52.274 tors. eta vs tors. theta energy: -126.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1308.154744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.154744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.154744 (E_RNA) where: Base-Base interactions energy: -942.782 where: short stacking energy: -436.761 Base-Backbone interact. energy: -0.841 local terms energy: -364.531945 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -75.659 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -91.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1979.125671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.125671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.125671 (E_RNA) where: Base-Base interactions energy: -1426.686 where: short stacking energy: -633.412 Base-Backbone interact. energy: -1.181 local terms energy: -551.258355 where: bonds (distance) C4'-P energy: -95.340 bonds (distance) P-C4' energy: -98.741 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -84.370 tors. eta vs tors. theta energy: -166.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1902.174296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.174296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.174296 (E_RNA) where: Base-Base interactions energy: -1377.126 where: short stacking energy: -610.237 Base-Backbone interact. energy: -3.017 local terms energy: -522.032044 where: bonds (distance) C4'-P energy: -86.201 bonds (distance) P-C4' energy: -87.107 flat angles C4'-P-C4' energy: -108.184 flat angles P-C4'-P energy: -74.883 tors. eta vs tors. theta energy: -165.657 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1797.243234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.243234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.243234 (E_RNA) where: Base-Base interactions energy: -1265.344 where: short stacking energy: -571.989 Base-Backbone interact. energy: -2.654 local terms energy: -529.244908 where: bonds (distance) C4'-P energy: -91.008 bonds (distance) P-C4' energy: -94.097 flat angles C4'-P-C4' energy: -106.536 flat angles P-C4'-P energy: -83.294 tors. eta vs tors. theta energy: -154.310 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: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1797.082068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.082068 (E_RNA) where: Base-Base interactions energy: -1278.763 where: short stacking energy: -576.399 Base-Backbone interact. energy: -0.071 local terms energy: -518.248179 where: bonds (distance) C4'-P energy: -94.826 bonds (distance) P-C4' energy: -85.666 flat angles C4'-P-C4' energy: -114.702 flat angles P-C4'-P energy: -71.682 tors. eta vs tors. theta energy: -151.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1681.354000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.354000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.354000 (E_RNA) where: Base-Base interactions energy: -1196.097 where: short stacking energy: -537.881 Base-Backbone interact. energy: -1.173 local terms energy: -484.084695 where: bonds (distance) C4'-P energy: -91.809 bonds (distance) P-C4' energy: -76.573 flat angles C4'-P-C4' energy: -99.481 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: -146.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1639.363642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.363642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.363642 (E_RNA) where: Base-Base interactions energy: -1186.060 where: short stacking energy: -522.551 Base-Backbone interact. energy: -0.455 local terms energy: -452.849177 where: bonds (distance) C4'-P energy: -71.153 bonds (distance) P-C4' energy: -78.127 flat angles C4'-P-C4' energy: -93.837 flat angles P-C4'-P energy: -59.054 tors. eta vs tors. theta energy: -150.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1610.863594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.863594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.863594 (E_RNA) where: Base-Base interactions energy: -1169.349 where: short stacking energy: -528.036 Base-Backbone interact. energy: 0.083 local terms energy: -441.597272 where: bonds (distance) C4'-P energy: -72.546 bonds (distance) P-C4' energy: -89.888 flat angles C4'-P-C4' energy: -86.286 flat angles P-C4'-P energy: -57.565 tors. eta vs tors. theta energy: -135.313 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: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1574.445065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.445065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.445065 (E_RNA) where: Base-Base interactions energy: -1148.896 where: short stacking energy: -500.216 Base-Backbone interact. energy: -6.061 local terms energy: -419.487307 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -68.553 flat angles C4'-P-C4' energy: -98.133 flat angles P-C4'-P energy: -57.203 tors. eta vs tors. theta energy: -135.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1433.800505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.800505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.800505 (E_RNA) where: Base-Base interactions energy: -1022.043 where: short stacking energy: -467.207 Base-Backbone interact. energy: -0.718 local terms energy: -411.039130 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -90.327 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: -119.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1290.655902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.655902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.655902 (E_RNA) where: Base-Base interactions energy: -922.519 where: short stacking energy: -398.044 Base-Backbone interact. energy: -0.381 local terms energy: -367.756758 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -68.150 flat angles C4'-P-C4' energy: -82.454 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -91.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1964.729720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.729720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.729720 (E_RNA) where: Base-Base interactions energy: -1403.149 where: short stacking energy: -628.194 Base-Backbone interact. energy: -0.731 local terms energy: -560.849446 where: bonds (distance) C4'-P energy: -98.253 bonds (distance) P-C4' energy: -100.141 flat angles C4'-P-C4' energy: -110.339 flat angles P-C4'-P energy: -82.235 tors. eta vs tors. theta energy: -169.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1879.750017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.750017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.750017 (E_RNA) where: Base-Base interactions energy: -1347.217 where: short stacking energy: -605.520 Base-Backbone interact. energy: -2.818 local terms energy: -529.715447 where: bonds (distance) C4'-P energy: -90.915 bonds (distance) P-C4' energy: -97.356 flat angles C4'-P-C4' energy: -104.662 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -160.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1806.605094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.605094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.605094 (E_RNA) where: Base-Base interactions energy: -1279.653 where: short stacking energy: -567.851 Base-Backbone interact. energy: -4.516 local terms energy: -522.437070 where: bonds (distance) C4'-P energy: -89.092 bonds (distance) P-C4' energy: -90.840 flat angles C4'-P-C4' energy: -107.733 flat angles P-C4'-P energy: -82.275 tors. eta vs tors. theta energy: -152.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1782.281201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.281201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.281201 (E_RNA) where: Base-Base interactions energy: -1290.065 where: short stacking energy: -567.744 Base-Backbone interact. energy: -0.536 local terms energy: -491.679695 where: bonds (distance) C4'-P energy: -77.875 bonds (distance) P-C4' energy: -84.184 flat angles C4'-P-C4' energy: -114.871 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -152.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1726.503726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.503726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.503726 (E_RNA) where: Base-Base interactions energy: -1229.690 where: short stacking energy: -558.111 Base-Backbone interact. energy: -1.246 local terms energy: -495.567769 where: bonds (distance) C4'-P energy: -74.412 bonds (distance) P-C4' energy: -91.714 flat angles C4'-P-C4' energy: -104.579 flat angles P-C4'-P energy: -72.057 tors. eta vs tors. theta energy: -152.807 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: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1646.263699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.263699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.263699 (E_RNA) where: Base-Base interactions energy: -1194.239 where: short stacking energy: -543.820 Base-Backbone interact. energy: 0.714 local terms energy: -452.737985 where: bonds (distance) C4'-P energy: -82.336 bonds (distance) P-C4' energy: -76.864 flat angles C4'-P-C4' energy: -97.472 flat angles P-C4'-P energy: -60.503 tors. eta vs tors. theta energy: -135.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1615.089124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.089124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.089124 (E_RNA) where: Base-Base interactions energy: -1163.672 where: short stacking energy: -527.739 Base-Backbone interact. energy: -1.240 local terms energy: -450.176857 where: bonds (distance) C4'-P energy: -85.747 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -92.760 flat angles P-C4'-P energy: -61.647 tors. eta vs tors. theta energy: -131.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1557.138746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.138746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.138746 (E_RNA) where: Base-Base interactions energy: -1129.695 where: short stacking energy: -503.730 Base-Backbone interact. energy: -2.128 local terms energy: -425.316430 where: bonds (distance) C4'-P energy: -55.448 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -98.836 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -137.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1394.672821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.672821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.672821 (E_RNA) where: Base-Base interactions energy: -968.448 where: short stacking energy: -441.525 Base-Backbone interact. energy: 0.408 local terms energy: -426.632835 where: bonds (distance) C4'-P energy: -86.386 bonds (distance) P-C4' energy: -87.602 flat angles C4'-P-C4' energy: -82.525 flat angles P-C4'-P energy: -58.094 tors. eta vs tors. theta energy: -112.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1230.720934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.720934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.720934 (E_RNA) where: Base-Base interactions energy: -843.200 where: short stacking energy: -402.406 Base-Backbone interact. energy: -0.807 local terms energy: -386.713592 where: bonds (distance) C4'-P energy: -77.717 bonds (distance) P-C4' energy: -79.251 flat angles C4'-P-C4' energy: -82.889 flat angles P-C4'-P energy: -51.893 tors. eta vs tors. theta energy: -94.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1974.617626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.617626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.617626 (E_RNA) where: Base-Base interactions energy: -1423.412 where: short stacking energy: -649.107 Base-Backbone interact. energy: -1.079 local terms energy: -550.126576 where: bonds (distance) C4'-P energy: -92.410 bonds (distance) P-C4' energy: -96.068 flat angles C4'-P-C4' energy: -110.652 flat angles P-C4'-P energy: -84.786 tors. eta vs tors. theta energy: -166.212 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: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1885.557167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.557167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.557167 (E_RNA) where: Base-Base interactions energy: -1362.801 where: short stacking energy: -622.994 Base-Backbone interact. energy: -0.660 local terms energy: -522.096491 where: bonds (distance) C4'-P energy: -88.912 bonds (distance) P-C4' energy: -88.783 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -69.443 tors. eta vs tors. theta energy: -164.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1832.612905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.612905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.612905 (E_RNA) where: Base-Base interactions energy: -1305.553 where: short stacking energy: -581.527 Base-Backbone interact. energy: -1.639 local terms energy: -525.421473 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -100.935 flat angles C4'-P-C4' energy: -111.258 flat angles P-C4'-P energy: -64.952 tors. eta vs tors. theta energy: -160.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1785.707898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.707898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.707898 (E_RNA) where: Base-Base interactions energy: -1269.753 where: short stacking energy: -576.402 Base-Backbone interact. energy: 0.650 local terms energy: -516.604706 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -86.117 flat angles C4'-P-C4' energy: -115.066 flat angles P-C4'-P energy: -63.712 tors. eta vs tors. theta energy: -159.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1695.504386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.504386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.504386 (E_RNA) where: Base-Base interactions energy: -1200.603 where: short stacking energy: -546.373 Base-Backbone interact. energy: -2.102 local terms energy: -492.798827 where: bonds (distance) C4'-P energy: -91.883 bonds (distance) P-C4' energy: -72.742 flat angles C4'-P-C4' energy: -104.357 flat angles P-C4'-P energy: -75.289 tors. eta vs tors. theta energy: -148.527 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: 312 Temperature: 1.150000 Total energy: -1675.593236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.593236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.593236 (E_RNA) where: Base-Base interactions energy: -1201.834 where: short stacking energy: -536.293 Base-Backbone interact. energy: 1.917 local terms energy: -475.675962 where: bonds (distance) C4'-P energy: -81.338 bonds (distance) P-C4' energy: -85.304 flat angles C4'-P-C4' energy: -93.411 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -143.977 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: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1612.163914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.163914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.163914 (E_RNA) where: Base-Base interactions energy: -1148.957 where: short stacking energy: -527.491 Base-Backbone interact. energy: -0.717 local terms energy: -462.489838 where: bonds (distance) C4'-P energy: -79.117 bonds (distance) P-C4' energy: -75.213 flat angles C4'-P-C4' energy: -96.284 flat angles P-C4'-P energy: -66.657 tors. eta vs tors. theta energy: -145.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1585.614979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.614979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.614979 (E_RNA) where: Base-Base interactions energy: -1151.739 where: short stacking energy: -516.684 Base-Backbone interact. energy: -2.855 local terms energy: -431.021029 where: bonds (distance) C4'-P energy: -65.927 bonds (distance) P-C4' energy: -82.164 flat angles C4'-P-C4' energy: -97.359 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -134.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1369.458144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.458144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.458144 (E_RNA) where: Base-Base interactions energy: -986.549 where: short stacking energy: -464.681 Base-Backbone interact. energy: -0.727 local terms energy: -382.182181 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -77.425 flat angles C4'-P-C4' energy: -91.577 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -114.321 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1317.875521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.875521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.875521 (E_RNA) where: Base-Base interactions energy: -935.289 where: short stacking energy: -418.794 Base-Backbone interact. energy: -1.481 local terms energy: -381.105951 where: bonds (distance) C4'-P energy: -64.245 bonds (distance) P-C4' energy: -74.704 flat angles C4'-P-C4' energy: -87.990 flat angles P-C4'-P energy: -53.858 tors. eta vs tors. theta energy: -100.309 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: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1973.621401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.621401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.621401 (E_RNA) where: Base-Base interactions energy: -1404.452 where: short stacking energy: -649.721 Base-Backbone interact. energy: -0.045 local terms energy: -569.124667 where: bonds (distance) C4'-P energy: -98.444 bonds (distance) P-C4' energy: -103.132 flat angles C4'-P-C4' energy: -112.911 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: -172.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1877.718699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.718699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.718699 (E_RNA) where: Base-Base interactions energy: -1362.754 where: short stacking energy: -615.931 Base-Backbone interact. energy: -1.568 local terms energy: -513.397192 where: bonds (distance) C4'-P energy: -88.141 bonds (distance) P-C4' energy: -84.147 flat angles C4'-P-C4' energy: -106.967 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -165.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1801.758887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.758887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.758887 (E_RNA) where: Base-Base interactions energy: -1286.831 where: short stacking energy: -582.668 Base-Backbone interact. energy: -0.194 local terms energy: -514.733372 where: bonds (distance) C4'-P energy: -89.452 bonds (distance) P-C4' energy: -97.414 flat angles C4'-P-C4' energy: -99.900 flat angles P-C4'-P energy: -69.837 tors. eta vs tors. theta energy: -158.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1767.237459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.237459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.237459 (E_RNA) where: Base-Base interactions energy: -1285.693 where: short stacking energy: -587.148 Base-Backbone interact. energy: -2.221 local terms energy: -479.323819 where: bonds (distance) C4'-P energy: -85.879 bonds (distance) P-C4' energy: -73.897 flat angles C4'-P-C4' energy: -112.117 flat angles P-C4'-P energy: -53.766 tors. eta vs tors. theta energy: -153.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1711.315006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.315006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.315006 (E_RNA) where: Base-Base interactions energy: -1247.301 where: short stacking energy: -567.588 Base-Backbone interact. energy: -1.554 local terms energy: -462.459594 where: bonds (distance) C4'-P energy: -72.874 bonds (distance) P-C4' energy: -81.664 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: -146.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1638.136345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.136345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.136345 (E_RNA) where: Base-Base interactions energy: -1197.798 where: short stacking energy: -529.813 Base-Backbone interact. energy: -2.756 local terms energy: -437.582054 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -108.200 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -139.721 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: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1636.754385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.754385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.754385 (E_RNA) where: Base-Base interactions energy: -1162.393 where: short stacking energy: -507.615 Base-Backbone interact. energy: 0.597 local terms energy: -474.957783 where: bonds (distance) C4'-P energy: -88.730 bonds (distance) P-C4' energy: -80.295 flat angles C4'-P-C4' energy: -102.563 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -134.734 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: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1625.428105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.428105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.428105 (E_RNA) where: Base-Base interactions energy: -1180.105 where: short stacking energy: -534.825 Base-Backbone interact. energy: 0.523 local terms energy: -445.845426 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -79.654 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -146.983 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: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1333.920079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.920079 (E_RNA) where: Base-Base interactions energy: -940.870 where: short stacking energy: -426.287 Base-Backbone interact. energy: -2.309 local terms energy: -390.741282 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -79.693 flat angles P-C4'-P energy: -40.645 tors. eta vs tors. theta energy: -114.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1308.673904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.673904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.673904 (E_RNA) where: Base-Base interactions energy: -933.951 where: short stacking energy: -435.373 Base-Backbone interact. energy: -2.004 local terms energy: -372.718623 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -70.787 flat angles C4'-P-C4' energy: -95.712 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -104.680 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: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1974.072135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.072135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.072135 (E_RNA) where: Base-Base interactions energy: -1415.326 where: short stacking energy: -637.949 Base-Backbone interact. energy: -0.939 local terms energy: -557.807894 where: bonds (distance) C4'-P energy: -96.785 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -113.154 flat angles P-C4'-P energy: -82.892 tors. eta vs tors. theta energy: -175.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1869.008279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.008279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.008279 (E_RNA) where: Base-Base interactions energy: -1352.623 where: short stacking energy: -606.726 Base-Backbone interact. energy: -1.580 local terms energy: -514.805392 where: bonds (distance) C4'-P energy: -90.336 bonds (distance) P-C4' energy: -88.887 flat angles C4'-P-C4' energy: -100.723 flat angles P-C4'-P energy: -76.169 tors. eta vs tors. theta energy: -158.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1805.175007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.175007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.175007 (E_RNA) where: Base-Base interactions energy: -1278.846 where: short stacking energy: -589.267 Base-Backbone interact. energy: -2.108 local terms energy: -524.221635 where: bonds (distance) C4'-P energy: -90.991 bonds (distance) P-C4' energy: -92.627 flat angles C4'-P-C4' energy: -104.595 flat angles P-C4'-P energy: -84.484 tors. eta vs tors. theta energy: -151.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1793.735952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.735952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.735952 (E_RNA) where: Base-Base interactions energy: -1303.422 where: short stacking energy: -576.300 Base-Backbone interact. energy: -1.491 local terms energy: -488.822693 where: bonds (distance) C4'-P energy: -88.120 bonds (distance) P-C4' energy: -80.528 flat angles C4'-P-C4' energy: -106.931 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -151.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1722.188700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.188700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.188700 (E_RNA) where: Base-Base interactions energy: -1250.104 where: short stacking energy: -575.095 Base-Backbone interact. energy: -0.137 local terms energy: -471.947312 where: bonds (distance) C4'-P energy: -70.645 bonds (distance) P-C4' energy: -88.201 flat angles C4'-P-C4' energy: -97.633 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -149.763 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: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1635.089568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.089568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.089568 (E_RNA) where: Base-Base interactions energy: -1185.859 where: short stacking energy: -540.823 Base-Backbone interact. energy: -1.250 local terms energy: -447.980857 where: bonds (distance) C4'-P energy: -71.325 bonds (distance) P-C4' energy: -73.867 flat angles C4'-P-C4' energy: -101.388 flat angles P-C4'-P energy: -63.115 tors. eta vs tors. theta energy: -138.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1631.009394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.009394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.009394 (E_RNA) where: Base-Base interactions energy: -1160.099 where: short stacking energy: -525.940 Base-Backbone interact. energy: -3.942 local terms energy: -466.968416 where: bonds (distance) C4'-P energy: -79.328 bonds (distance) P-C4' energy: -77.492 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -146.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1573.145418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.145418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.145418 (E_RNA) where: Base-Base interactions energy: -1127.346 where: short stacking energy: -513.157 Base-Backbone interact. energy: 1.374 local terms energy: -447.173573 where: bonds (distance) C4'-P energy: -84.700 bonds (distance) P-C4' energy: -75.633 flat angles C4'-P-C4' energy: -93.444 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -140.500 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: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1355.292016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.292016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.292016 (E_RNA) where: Base-Base interactions energy: -946.617 where: short stacking energy: -457.123 Base-Backbone interact. energy: 0.575 local terms energy: -409.250247 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -66.387 flat angles C4'-P-C4' energy: -90.151 flat angles P-C4'-P energy: -52.567 tors. eta vs tors. theta energy: -107.466 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: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1304.470336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.470336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.470336 (E_RNA) where: Base-Base interactions energy: -906.564 where: short stacking energy: -410.358 Base-Backbone interact. energy: -0.382 local terms energy: -397.524209 where: bonds (distance) C4'-P energy: -70.722 bonds (distance) P-C4' energy: -74.179 flat angles C4'-P-C4' energy: -83.820 flat angles P-C4'-P energy: -71.905 tors. eta vs tors. theta energy: -96.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1965.518258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.518258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.518258 (E_RNA) where: Base-Base interactions energy: -1410.444 where: short stacking energy: -629.634 Base-Backbone interact. energy: -0.624 local terms energy: -554.450380 where: bonds (distance) C4'-P energy: -95.078 bonds (distance) P-C4' energy: -91.308 flat angles C4'-P-C4' energy: -117.029 flat angles P-C4'-P energy: -76.869 tors. eta vs tors. theta energy: -174.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1863.081504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.081504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.081504 (E_RNA) where: Base-Base interactions energy: -1337.432 where: short stacking energy: -608.185 Base-Backbone interact. energy: -4.692 local terms energy: -520.957527 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -87.486 flat angles C4'-P-C4' energy: -103.695 flat angles P-C4'-P energy: -80.744 tors. eta vs tors. theta energy: -159.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1820.161214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.161214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.161214 (E_RNA) where: Base-Base interactions energy: -1279.407 where: short stacking energy: -578.637 Base-Backbone interact. energy: -1.883 local terms energy: -538.870700 where: bonds (distance) C4'-P energy: -98.810 bonds (distance) P-C4' energy: -98.633 flat angles C4'-P-C4' energy: -109.418 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -159.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1813.066153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.066153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.066153 (E_RNA) where: Base-Base interactions energy: -1324.501 where: short stacking energy: -591.551 Base-Backbone interact. energy: -1.843 local terms energy: -486.722205 where: bonds (distance) C4'-P energy: -74.073 bonds (distance) P-C4' energy: -86.392 flat angles C4'-P-C4' energy: -100.752 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: -156.843 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: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1710.859264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.859264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.859264 (E_RNA) where: Base-Base interactions energy: -1238.332 where: short stacking energy: -556.467 Base-Backbone interact. energy: -1.625 local terms energy: -470.902287 where: bonds (distance) C4'-P energy: -74.364 bonds (distance) P-C4' energy: -85.731 flat angles C4'-P-C4' energy: -97.716 flat angles P-C4'-P energy: -66.543 tors. eta vs tors. theta energy: -146.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1676.557420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.557420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.557420 (E_RNA) where: Base-Base interactions energy: -1194.745 where: short stacking energy: -548.498 Base-Backbone interact. energy: -1.734 local terms energy: -480.078022 where: bonds (distance) C4'-P energy: -83.621 bonds (distance) P-C4' energy: -85.279 flat angles C4'-P-C4' energy: -96.442 flat angles P-C4'-P energy: -65.832 tors. eta vs tors. theta energy: -148.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1584.759413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.759413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.759413 (E_RNA) where: Base-Base interactions energy: -1117.438 where: short stacking energy: -546.335 Base-Backbone interact. energy: -0.002 local terms energy: -467.319305 where: bonds (distance) C4'-P energy: -72.934 bonds (distance) P-C4' energy: -83.210 flat angles C4'-P-C4' energy: -104.420 flat angles P-C4'-P energy: -60.699 tors. eta vs tors. theta energy: -146.056 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: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1571.110992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.110992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.110992 (E_RNA) where: Base-Base interactions energy: -1132.910 where: short stacking energy: -507.652 Base-Backbone interact. energy: -0.421 local terms energy: -437.780149 where: bonds (distance) C4'-P energy: -81.130 bonds (distance) P-C4' energy: -88.927 flat angles C4'-P-C4' energy: -89.857 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: -129.233 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: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1304.946606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.946606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.946606 (E_RNA) where: Base-Base interactions energy: -883.549 where: short stacking energy: -432.055 Base-Backbone interact. energy: -0.874 local terms energy: -420.523698 where: bonds (distance) C4'-P energy: -80.974 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: -107.214 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: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1242.719998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.719998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.719998 (E_RNA) where: Base-Base interactions energy: -866.162 where: short stacking energy: -375.024 Base-Backbone interact. energy: -1.789 local terms energy: -374.769483 where: bonds (distance) C4'-P energy: -70.497 bonds (distance) P-C4' energy: -80.527 flat angles C4'-P-C4' energy: -90.349 flat angles P-C4'-P energy: -34.197 tors. eta vs tors. theta energy: -99.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1967.946549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.946549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.946549 (E_RNA) where: Base-Base interactions energy: -1396.548 where: short stacking energy: -641.499 Base-Backbone interact. energy: -1.116 local terms energy: -570.282110 where: bonds (distance) C4'-P energy: -104.783 bonds (distance) P-C4' energy: -96.567 flat angles C4'-P-C4' energy: -117.448 flat angles P-C4'-P energy: -81.596 tors. eta vs tors. theta energy: -169.888 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: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1864.896513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.896513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.896513 (E_RNA) where: Base-Base interactions energy: -1357.931 where: short stacking energy: -598.155 Base-Backbone interact. energy: -2.404 local terms energy: -504.561097 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -85.976 flat angles C4'-P-C4' energy: -98.825 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -161.884 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: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1823.424505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.424505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.424505 (E_RNA) where: Base-Base interactions energy: -1297.964 where: short stacking energy: -588.688 Base-Backbone interact. energy: -1.517 local terms energy: -523.943393 where: bonds (distance) C4'-P energy: -90.227 bonds (distance) P-C4' energy: -89.125 flat angles C4'-P-C4' energy: -111.128 flat angles P-C4'-P energy: -82.519 tors. eta vs tors. theta energy: -150.944 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: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1802.150565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.150565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.150565 (E_RNA) where: Base-Base interactions energy: -1304.054 where: short stacking energy: -571.992 Base-Backbone interact. energy: -0.257 local terms energy: -497.839759 where: bonds (distance) C4'-P energy: -90.625 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -102.006 flat angles P-C4'-P energy: -78.513 tors. eta vs tors. theta energy: -150.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1676.360777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.360777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.360777 (E_RNA) where: Base-Base interactions energy: -1218.854 where: short stacking energy: -545.485 Base-Backbone interact. energy: 0.097 local terms energy: -457.603578 where: bonds (distance) C4'-P energy: -68.776 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -105.615 flat angles P-C4'-P energy: -70.523 tors. eta vs tors. theta energy: -131.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1674.677090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.677090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.677090 (E_RNA) where: Base-Base interactions energy: -1195.473 where: short stacking energy: -552.603 Base-Backbone interact. energy: -1.403 local terms energy: -477.800823 where: bonds (distance) C4'-P energy: -86.942 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -106.220 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: -145.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1614.212112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.212112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.212112 (E_RNA) where: Base-Base interactions energy: -1165.432 where: short stacking energy: -522.152 Base-Backbone interact. energy: -2.691 local terms energy: -446.088708 where: bonds (distance) C4'-P energy: -71.308 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -96.430 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: -138.139 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: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1579.701108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.701108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.701108 (E_RNA) where: Base-Base interactions energy: -1149.998 where: short stacking energy: -527.788 Base-Backbone interact. energy: -0.270 local terms energy: -429.432993 where: bonds (distance) C4'-P energy: -77.563 bonds (distance) P-C4' energy: -63.656 flat angles C4'-P-C4' energy: -88.159 flat angles P-C4'-P energy: -60.808 tors. eta vs tors. theta energy: -139.247 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: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1390.148581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.148581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.148581 (E_RNA) where: Base-Base interactions energy: -971.620 where: short stacking energy: -453.792 Base-Backbone interact. energy: -1.406 local terms energy: -417.122183 where: bonds (distance) C4'-P energy: -81.612 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -104.457 flat angles P-C4'-P energy: -58.930 tors. eta vs tors. theta energy: -105.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1160.548949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.548949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.548949 (E_RNA) where: Base-Base interactions energy: -799.831 where: short stacking energy: -335.560 Base-Backbone interact. energy: -1.987 local terms energy: -358.731189 where: bonds (distance) C4'-P energy: -72.464 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -86.793 flat angles P-C4'-P energy: -34.725 tors. eta vs tors. theta energy: -88.924 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: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1973.172076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.172076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.172076 (E_RNA) where: Base-Base interactions energy: -1409.421 where: short stacking energy: -648.300 Base-Backbone interact. energy: -0.060 local terms energy: -563.691725 where: bonds (distance) C4'-P energy: -99.952 bonds (distance) P-C4' energy: -100.697 flat angles C4'-P-C4' energy: -115.658 flat angles P-C4'-P energy: -72.407 tors. eta vs tors. theta energy: -174.978 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: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1882.363493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.363493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.363493 (E_RNA) where: Base-Base interactions energy: -1341.767 where: short stacking energy: -594.905 Base-Backbone interact. energy: -3.633 local terms energy: -536.963383 where: bonds (distance) C4'-P energy: -86.631 bonds (distance) P-C4' energy: -104.804 flat angles C4'-P-C4' energy: -106.983 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -164.751 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: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1790.032918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.032918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.032918 (E_RNA) where: Base-Base interactions energy: -1282.171 where: short stacking energy: -585.737 Base-Backbone interact. energy: -0.368 local terms energy: -507.493525 where: bonds (distance) C4'-P energy: -90.116 bonds (distance) P-C4' energy: -90.875 flat angles C4'-P-C4' energy: -103.790 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -153.391 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: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1816.197338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.197338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.197338 (E_RNA) where: Base-Base interactions energy: -1320.426 where: short stacking energy: -605.119 Base-Backbone interact. energy: -1.540 local terms energy: -494.231237 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -80.691 flat angles C4'-P-C4' energy: -107.830 flat angles P-C4'-P energy: -77.390 tors. eta vs tors. theta energy: -159.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1729.985782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.985782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.985782 (E_RNA) where: Base-Base interactions energy: -1257.752 where: short stacking energy: -555.789 Base-Backbone interact. energy: -1.266 local terms energy: -470.968266 where: bonds (distance) C4'-P energy: -68.998 bonds (distance) P-C4' energy: -90.145 flat angles C4'-P-C4' energy: -98.211 flat angles P-C4'-P energy: -74.331 tors. eta vs tors. theta energy: -139.282 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: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1654.385280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.385280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.385280 (E_RNA) where: Base-Base interactions energy: -1199.930 where: short stacking energy: -546.035 Base-Backbone interact. energy: -0.771 local terms energy: -453.684940 where: bonds (distance) C4'-P energy: -70.853 bonds (distance) P-C4' energy: -74.887 flat angles C4'-P-C4' energy: -89.235 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: -154.217 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: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1613.795839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.795839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.795839 (E_RNA) where: Base-Base interactions energy: -1175.409 where: short stacking energy: -520.955 Base-Backbone interact. energy: -1.736 local terms energy: -436.650520 where: bonds (distance) C4'-P energy: -69.173 bonds (distance) P-C4' energy: -69.592 flat angles C4'-P-C4' energy: -105.237 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: -141.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1593.724562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.724562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.724562 (E_RNA) where: Base-Base interactions energy: -1172.155 where: short stacking energy: -512.362 Base-Backbone interact. energy: -2.737 local terms energy: -418.831845 where: bonds (distance) C4'-P energy: -67.135 bonds (distance) P-C4' energy: -73.046 flat angles C4'-P-C4' energy: -100.954 flat angles P-C4'-P energy: -40.477 tors. eta vs tors. theta energy: -137.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1389.771976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.771976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.771976 (E_RNA) where: Base-Base interactions energy: -957.277 where: short stacking energy: -431.859 Base-Backbone interact. energy: -3.027 local terms energy: -429.467174 where: bonds (distance) C4'-P energy: -70.869 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -99.548 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: -126.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1178.203736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.203736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.203736 (E_RNA) where: Base-Base interactions energy: -837.329 where: short stacking energy: -379.691 Base-Backbone interact. energy: 0.016 local terms energy: -340.890503 where: bonds (distance) C4'-P energy: -59.848 bonds (distance) P-C4' energy: -71.316 flat angles C4'-P-C4' energy: -71.638 flat angles P-C4'-P energy: -44.495 tors. eta vs tors. theta energy: -93.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1968.135707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.135707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.135707 (E_RNA) where: Base-Base interactions energy: -1414.206 where: short stacking energy: -660.682 Base-Backbone interact. energy: -0.963 local terms energy: -552.966605 where: bonds (distance) C4'-P energy: -97.254 bonds (distance) P-C4' energy: -95.763 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -76.593 tors. eta vs tors. theta energy: -171.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1897.599689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.599689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.599689 (E_RNA) where: Base-Base interactions energy: -1343.758 where: short stacking energy: -600.653 Base-Backbone interact. energy: -0.201 local terms energy: -553.640574 where: bonds (distance) C4'-P energy: -102.434 bonds (distance) P-C4' energy: -99.943 flat angles C4'-P-C4' energy: -107.765 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -162.480 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: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1784.759386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.759386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.759386 (E_RNA) where: Base-Base interactions energy: -1263.683 where: short stacking energy: -580.174 Base-Backbone interact. energy: -1.669 local terms energy: -519.406947 where: bonds (distance) C4'-P energy: -98.527 bonds (distance) P-C4' energy: -105.005 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: -151.141 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: 318 Temperature: 1.050000 Total energy: -1801.125636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.125636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.125636 (E_RNA) where: Base-Base interactions energy: -1292.809 where: short stacking energy: -571.177 Base-Backbone interact. energy: -3.755 local terms energy: -504.561636 where: bonds (distance) C4'-P energy: -94.409 bonds (distance) P-C4' energy: -89.971 flat angles C4'-P-C4' energy: -99.610 flat angles P-C4'-P energy: -71.444 tors. eta vs tors. theta energy: -149.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1677.025862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.025862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.025862 (E_RNA) where: Base-Base interactions energy: -1195.389 where: short stacking energy: -549.073 Base-Backbone interact. energy: -1.812 local terms energy: -479.825533 where: bonds (distance) C4'-P energy: -94.556 bonds (distance) P-C4' energy: -80.458 flat angles C4'-P-C4' energy: -96.894 flat angles P-C4'-P energy: -57.789 tors. eta vs tors. theta energy: -150.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1705.344503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.344503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.344503 (E_RNA) where: Base-Base interactions energy: -1234.288 where: short stacking energy: -547.638 Base-Backbone interact. energy: 3.915 local terms energy: -474.971787 where: bonds (distance) C4'-P energy: -81.593 bonds (distance) P-C4' energy: -93.676 flat angles C4'-P-C4' energy: -93.407 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: -152.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1628.510859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.510859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.510859 (E_RNA) where: Base-Base interactions energy: -1164.505 where: short stacking energy: -533.658 Base-Backbone interact. energy: -0.110 local terms energy: -463.895704 where: bonds (distance) C4'-P energy: -78.334 bonds (distance) P-C4' energy: -81.981 flat angles C4'-P-C4' energy: -96.934 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -140.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1630.393884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.393884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.393884 (E_RNA) where: Base-Base interactions energy: -1181.132 where: short stacking energy: -516.069 Base-Backbone interact. energy: -2.180 local terms energy: -447.081753 where: bonds (distance) C4'-P energy: -80.400 bonds (distance) P-C4' energy: -71.278 flat angles C4'-P-C4' energy: -96.600 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -135.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1419.778540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.778540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.778540 (E_RNA) where: Base-Base interactions energy: -993.904 where: short stacking energy: -473.329 Base-Backbone interact. energy: -0.671 local terms energy: -425.203863 where: bonds (distance) C4'-P energy: -81.875 bonds (distance) P-C4' energy: -72.958 flat angles C4'-P-C4' energy: -92.870 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -126.765 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1159.409519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.409519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.409519 (E_RNA) where: Base-Base interactions energy: -783.579 where: short stacking energy: -368.523 Base-Backbone interact. energy: -0.417 local terms energy: -375.413955 where: bonds (distance) C4'-P energy: -72.594 bonds (distance) P-C4' energy: -73.701 flat angles C4'-P-C4' energy: -86.158 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -91.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1971.010955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.010955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.010955 (E_RNA) where: Base-Base interactions energy: -1412.450 where: short stacking energy: -633.691 Base-Backbone interact. energy: -0.495 local terms energy: -558.065653 where: bonds (distance) C4'-P energy: -99.637 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -122.351 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: -165.538 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: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1875.217369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.217369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.217369 (E_RNA) where: Base-Base interactions energy: -1325.247 where: short stacking energy: -592.742 Base-Backbone interact. energy: -1.412 local terms energy: -548.558261 where: bonds (distance) C4'-P energy: -97.285 bonds (distance) P-C4' energy: -97.552 flat angles C4'-P-C4' energy: -119.416 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -163.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1785.898220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.898220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.898220 (E_RNA) where: Base-Base interactions energy: -1281.074 where: short stacking energy: -576.896 Base-Backbone interact. energy: -0.134 local terms energy: -504.690920 where: bonds (distance) C4'-P energy: -84.707 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -152.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1787.793103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.793103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.793103 (E_RNA) where: Base-Base interactions energy: -1286.603 where: short stacking energy: -567.667 Base-Backbone interact. energy: -0.952 local terms energy: -500.237809 where: bonds (distance) C4'-P energy: -82.022 bonds (distance) P-C4' energy: -83.582 flat angles C4'-P-C4' energy: -105.737 flat angles P-C4'-P energy: -74.044 tors. eta vs tors. theta energy: -154.853 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: 1 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1669.993018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.993018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.993018 (E_RNA) where: Base-Base interactions energy: -1185.279 where: short stacking energy: -533.441 Base-Backbone interact. energy: 1.546 local terms energy: -486.260400 where: bonds (distance) C4'-P energy: -82.575 bonds (distance) P-C4' energy: -76.557 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -144.924 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: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1710.310355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.310355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.310355 (E_RNA) where: Base-Base interactions energy: -1249.413 where: short stacking energy: -574.345 Base-Backbone interact. energy: 2.840 local terms energy: -463.737281 where: bonds (distance) C4'-P energy: -79.192 bonds (distance) P-C4' energy: -80.214 flat angles C4'-P-C4' energy: -99.463 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -147.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1610.286858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.286858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.286858 (E_RNA) where: Base-Base interactions energy: -1149.056 where: short stacking energy: -517.579 Base-Backbone interact. energy: 5.539 local terms energy: -466.769559 where: bonds (distance) C4'-P energy: -88.432 bonds (distance) P-C4' energy: -87.411 flat angles C4'-P-C4' energy: -94.158 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -143.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1594.044041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.044041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.044041 (E_RNA) where: Base-Base interactions energy: -1139.454 where: short stacking energy: -503.332 Base-Backbone interact. energy: -0.881 local terms energy: -453.708864 where: bonds (distance) C4'-P energy: -86.253 bonds (distance) P-C4' energy: -75.407 flat angles C4'-P-C4' energy: -90.939 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -139.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1357.676468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.676468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.676468 (E_RNA) where: Base-Base interactions energy: -951.918 where: short stacking energy: -443.943 Base-Backbone interact. energy: -0.478 local terms energy: -405.280964 where: bonds (distance) C4'-P energy: -64.781 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -105.100 flat angles P-C4'-P energy: -60.446 tors. eta vs tors. theta energy: -111.446 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: 319 Temperature: 1.350000 Total energy: -1203.651500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.651500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.651500 (E_RNA) where: Base-Base interactions energy: -825.426 where: short stacking energy: -405.128 Base-Backbone interact. energy: 0.051 local terms energy: -378.277154 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -56.867 flat angles C4'-P-C4' energy: -95.682 flat angles P-C4'-P energy: -50.192 tors. eta vs tors. theta energy: -100.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1974.064051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.064051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.064051 (E_RNA) where: Base-Base interactions energy: -1439.496 where: short stacking energy: -659.277 Base-Backbone interact. energy: -0.658 local terms energy: -533.909866 where: bonds (distance) C4'-P energy: -90.672 bonds (distance) P-C4' energy: -83.169 flat angles C4'-P-C4' energy: -115.231 flat angles P-C4'-P energy: -77.567 tors. eta vs tors. theta energy: -167.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1862.123305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.123305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.123305 (E_RNA) where: Base-Base interactions energy: -1326.550 where: short stacking energy: -602.433 Base-Backbone interact. energy: -3.234 local terms energy: -532.339384 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -97.738 flat angles C4'-P-C4' energy: -111.439 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -159.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1816.342604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.342604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.342604 (E_RNA) where: Base-Base interactions energy: -1293.124 where: short stacking energy: -559.402 Base-Backbone interact. energy: -2.752 local terms energy: -520.467109 where: bonds (distance) C4'-P energy: -98.321 bonds (distance) P-C4' energy: -92.871 flat angles C4'-P-C4' energy: -110.017 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -151.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1750.049843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.049843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.049843 (E_RNA) where: Base-Base interactions energy: -1255.134 where: short stacking energy: -561.318 Base-Backbone interact. energy: -2.589 local terms energy: -492.327316 where: bonds (distance) C4'-P energy: -77.921 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -108.115 flat angles P-C4'-P energy: -71.423 tors. eta vs tors. theta energy: -150.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1736.493185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.493185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.493185 (E_RNA) where: Base-Base interactions energy: -1227.056 where: short stacking energy: -567.646 Base-Backbone interact. energy: -2.061 local terms energy: -507.376821 where: bonds (distance) C4'-P energy: -80.906 bonds (distance) P-C4' energy: -97.428 flat angles C4'-P-C4' energy: -111.680 flat angles P-C4'-P energy: -73.494 tors. eta vs tors. theta energy: -143.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1653.874026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.874026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.874026 (E_RNA) where: Base-Base interactions energy: -1174.724 where: short stacking energy: -539.083 Base-Backbone interact. energy: -1.308 local terms energy: -477.841897 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -84.490 flat angles C4'-P-C4' energy: -98.437 flat angles P-C4'-P energy: -74.998 tors. eta vs tors. theta energy: -143.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1624.987096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.987096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.987096 (E_RNA) where: Base-Base interactions energy: -1154.963 where: short stacking energy: -518.438 Base-Backbone interact. energy: -0.319 local terms energy: -469.705425 where: bonds (distance) C4'-P energy: -85.337 bonds (distance) P-C4' energy: -81.602 flat angles C4'-P-C4' energy: -100.551 flat angles P-C4'-P energy: -59.737 tors. eta vs tors. theta energy: -142.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1579.359133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.359133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.359133 (E_RNA) where: Base-Base interactions energy: -1116.280 where: short stacking energy: -515.857 Base-Backbone interact. energy: -2.582 local terms energy: -460.497592 where: bonds (distance) C4'-P energy: -77.547 bonds (distance) P-C4' energy: -79.519 flat angles C4'-P-C4' energy: -103.236 flat angles P-C4'-P energy: -62.946 tors. eta vs tors. theta energy: -137.249 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: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1322.744184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.744184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.744184 (E_RNA) where: Base-Base interactions energy: -938.922 where: short stacking energy: -460.217 Base-Backbone interact. energy: -0.563 local terms energy: -383.258901 where: bonds (distance) C4'-P energy: -77.750 bonds (distance) P-C4' energy: -68.940 flat angles C4'-P-C4' energy: -77.574 flat angles P-C4'-P energy: -51.163 tors. eta vs tors. theta energy: -107.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1158.255191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.255191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.255191 (E_RNA) where: Base-Base interactions energy: -792.541 where: short stacking energy: -371.758 Base-Backbone interact. energy: 0.180 local terms energy: -365.894165 where: bonds (distance) C4'-P energy: -53.465 bonds (distance) P-C4' energy: -88.685 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -84.648 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: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1969.667821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.667821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.667821 (E_RNA) where: Base-Base interactions energy: -1414.738 where: short stacking energy: -655.340 Base-Backbone interact. energy: -1.282 local terms energy: -553.647913 where: bonds (distance) C4'-P energy: -95.477 bonds (distance) P-C4' energy: -90.825 flat angles C4'-P-C4' energy: -115.214 flat angles P-C4'-P energy: -86.744 tors. eta vs tors. theta energy: -165.389 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: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1856.151050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.151050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.151050 (E_RNA) where: Base-Base interactions energy: -1329.922 where: short stacking energy: -589.603 Base-Backbone interact. energy: -1.861 local terms energy: -524.367802 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -94.507 flat angles C4'-P-C4' energy: -116.503 flat angles P-C4'-P energy: -70.907 tors. eta vs tors. theta energy: -148.036 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: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1849.104855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.104855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.104855 (E_RNA) where: Base-Base interactions energy: -1339.048 where: short stacking energy: -593.200 Base-Backbone interact. energy: -4.375 local terms energy: -505.681508 where: bonds (distance) C4'-P energy: -83.429 bonds (distance) P-C4' energy: -94.103 flat angles C4'-P-C4' energy: -106.621 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -153.844 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1763.584340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.584340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.584340 (E_RNA) where: Base-Base interactions energy: -1269.011 where: short stacking energy: -577.486 Base-Backbone interact. energy: 0.088 local terms energy: -494.660665 where: bonds (distance) C4'-P energy: -89.501 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -111.799 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: -151.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1728.798165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.798165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.798165 (E_RNA) where: Base-Base interactions energy: -1242.124 where: short stacking energy: -560.139 Base-Backbone interact. energy: -3.342 local terms energy: -483.332642 where: bonds (distance) C4'-P energy: -81.199 bonds (distance) P-C4' energy: -82.717 flat angles C4'-P-C4' energy: -90.928 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -158.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1674.869956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.869956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.869956 (E_RNA) where: Base-Base interactions energy: -1230.619 where: short stacking energy: -544.768 Base-Backbone interact. energy: -1.379 local terms energy: -442.872056 where: bonds (distance) C4'-P energy: -73.532 bonds (distance) P-C4' energy: -81.413 flat angles C4'-P-C4' energy: -82.086 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: -145.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1601.496606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.496606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.496606 (E_RNA) where: Base-Base interactions energy: -1160.322 where: short stacking energy: -507.611 Base-Backbone interact. energy: 1.353 local terms energy: -442.528401 where: bonds (distance) C4'-P energy: -65.278 bonds (distance) P-C4' energy: -90.709 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -129.765 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: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1599.909114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.909114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.909114 (E_RNA) where: Base-Base interactions energy: -1172.975 where: short stacking energy: -515.867 Base-Backbone interact. energy: -0.858 local terms energy: -426.076041 where: bonds (distance) C4'-P energy: -73.228 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -91.671 flat angles P-C4'-P energy: -57.771 tors. eta vs tors. theta energy: -137.370 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: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1413.254475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.254475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.254475 (E_RNA) where: Base-Base interactions energy: -1015.412 where: short stacking energy: -478.914 Base-Backbone interact. energy: -0.631 local terms energy: -397.210687 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -70.631 flat angles C4'-P-C4' energy: -83.099 flat angles P-C4'-P energy: -52.106 tors. eta vs tors. theta energy: -123.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1121.664283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.664283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.664283 (E_RNA) where: Base-Base interactions energy: -765.380 where: short stacking energy: -358.440 Base-Backbone interact. energy: 5.191 local terms energy: -361.475246 where: bonds (distance) C4'-P energy: -83.544 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -89.604 flat angles P-C4'-P energy: -53.676 tors. eta vs tors. theta energy: -78.475 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: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1992.212707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.212707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.212707 (E_RNA) where: Base-Base interactions energy: -1430.848 where: short stacking energy: -661.523 Base-Backbone interact. energy: 1.400 local terms energy: -562.765024 where: bonds (distance) C4'-P energy: -92.401 bonds (distance) P-C4' energy: -100.836 flat angles C4'-P-C4' energy: -115.806 flat angles P-C4'-P energy: -82.869 tors. eta vs tors. theta energy: -170.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1845.589228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.589228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.589228 (E_RNA) where: Base-Base interactions energy: -1339.188 where: short stacking energy: -605.542 Base-Backbone interact. energy: -1.801 local terms energy: -504.599929 where: bonds (distance) C4'-P energy: -84.410 bonds (distance) P-C4' energy: -87.103 flat angles C4'-P-C4' energy: -109.166 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -153.184 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: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1843.536929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.536929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.536929 (E_RNA) where: Base-Base interactions energy: -1310.155 where: short stacking energy: -565.439 Base-Backbone interact. energy: -2.089 local terms energy: -531.293710 where: bonds (distance) C4'-P energy: -86.091 bonds (distance) P-C4' energy: -106.189 flat angles C4'-P-C4' energy: -116.753 flat angles P-C4'-P energy: -66.835 tors. eta vs tors. theta energy: -155.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1759.745770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.745770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.745770 (E_RNA) where: Base-Base interactions energy: -1273.825 where: short stacking energy: -583.137 Base-Backbone interact. energy: 0.508 local terms energy: -486.428960 where: bonds (distance) C4'-P energy: -80.240 bonds (distance) P-C4' energy: -75.194 flat angles C4'-P-C4' energy: -113.780 flat angles P-C4'-P energy: -71.396 tors. eta vs tors. theta energy: -145.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1714.268107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.268107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.268107 (E_RNA) where: Base-Base interactions energy: -1213.198 where: short stacking energy: -558.933 Base-Backbone interact. energy: -0.579 local terms energy: -500.491264 where: bonds (distance) C4'-P energy: -79.133 bonds (distance) P-C4' energy: -105.671 flat angles C4'-P-C4' energy: -103.014 flat angles P-C4'-P energy: -70.951 tors. eta vs tors. theta energy: -141.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1646.196703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.196703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.196703 (E_RNA) where: Base-Base interactions energy: -1157.204 where: short stacking energy: -533.770 Base-Backbone interact. energy: 0.819 local terms energy: -489.811615 where: bonds (distance) C4'-P energy: -86.018 bonds (distance) P-C4' energy: -86.407 flat angles C4'-P-C4' energy: -107.651 flat angles P-C4'-P energy: -69.181 tors. eta vs tors. theta energy: -140.554 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: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1590.169544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.169544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.169544 (E_RNA) where: Base-Base interactions energy: -1145.569 where: short stacking energy: -511.778 Base-Backbone interact. energy: 0.288 local terms energy: -444.888590 where: bonds (distance) C4'-P energy: -83.005 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -94.635 flat angles P-C4'-P energy: -57.630 tors. eta vs tors. theta energy: -143.136 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: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1619.049223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.049223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.049223 (E_RNA) where: Base-Base interactions energy: -1149.349 where: short stacking energy: -534.049 Base-Backbone interact. energy: 0.037 local terms energy: -469.736604 where: bonds (distance) C4'-P energy: -78.696 bonds (distance) P-C4' energy: -83.010 flat angles C4'-P-C4' energy: -100.622 flat angles P-C4'-P energy: -64.188 tors. eta vs tors. theta energy: -143.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1408.545219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.545219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.545219 (E_RNA) where: Base-Base interactions energy: -984.751 where: short stacking energy: -469.671 Base-Backbone interact. energy: 0.043 local terms energy: -423.837272 where: bonds (distance) C4'-P energy: -75.132 bonds (distance) P-C4' energy: -89.462 flat angles C4'-P-C4' energy: -88.469 flat angles P-C4'-P energy: -48.350 tors. eta vs tors. theta energy: -122.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1081.197819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.197819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.197819 (E_RNA) where: Base-Base interactions energy: -752.139 where: short stacking energy: -338.031 Base-Backbone interact. energy: 7.238 local terms energy: -336.296269 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -83.308 flat angles C4'-P-C4' energy: -76.951 flat angles P-C4'-P energy: -43.217 tors. eta vs tors. theta energy: -69.614 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: 1, replica: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2007.872567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.872567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.872567 (E_RNA) where: Base-Base interactions energy: -1457.790 where: short stacking energy: -658.107 Base-Backbone interact. energy: -0.610 local terms energy: -549.472073 where: bonds (distance) C4'-P energy: -97.690 bonds (distance) P-C4' energy: -94.914 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -170.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1862.271084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.271084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.271084 (E_RNA) where: Base-Base interactions energy: -1329.331 where: short stacking energy: -586.160 Base-Backbone interact. energy: -2.247 local terms energy: -530.693302 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -96.308 flat angles C4'-P-C4' energy: -117.532 flat angles P-C4'-P energy: -69.915 tors. eta vs tors. theta energy: -155.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1803.629174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.629174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.629174 (E_RNA) where: Base-Base interactions energy: -1277.240 where: short stacking energy: -561.138 Base-Backbone interact. energy: 0.329 local terms energy: -526.718488 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -98.476 flat angles C4'-P-C4' energy: -107.959 flat angles P-C4'-P energy: -75.350 tors. eta vs tors. theta energy: -146.846 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: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1800.456458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.456458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.456458 (E_RNA) where: Base-Base interactions energy: -1293.323 where: short stacking energy: -578.413 Base-Backbone interact. energy: -1.955 local terms energy: -505.178507 where: bonds (distance) C4'-P energy: -91.479 bonds (distance) P-C4' energy: -80.850 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -73.194 tors. eta vs tors. theta energy: -154.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1721.820366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.820366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.820366 (E_RNA) where: Base-Base interactions energy: -1239.159 where: short stacking energy: -580.055 Base-Backbone interact. energy: -0.299 local terms energy: -482.362778 where: bonds (distance) C4'-P energy: -84.202 bonds (distance) P-C4' energy: -87.027 flat angles C4'-P-C4' energy: -102.925 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -149.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1649.865603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.865603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.865603 (E_RNA) where: Base-Base interactions energy: -1176.845 where: short stacking energy: -523.421 Base-Backbone interact. energy: 2.610 local terms energy: -475.630696 where: bonds (distance) C4'-P energy: -71.659 bonds (distance) P-C4' energy: -94.437 flat angles C4'-P-C4' energy: -97.210 flat angles P-C4'-P energy: -70.467 tors. eta vs tors. theta energy: -141.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1594.530129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.530129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.530129 (E_RNA) where: Base-Base interactions energy: -1145.853 where: short stacking energy: -507.583 Base-Backbone interact. energy: -0.423 local terms energy: -448.254424 where: bonds (distance) C4'-P energy: -71.346 bonds (distance) P-C4' energy: -83.611 flat angles C4'-P-C4' energy: -91.695 flat angles P-C4'-P energy: -61.743 tors. eta vs tors. theta energy: -139.860 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: 8, replica: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1631.300600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.300600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.300600 (E_RNA) where: Base-Base interactions energy: -1191.049 where: short stacking energy: -539.635 Base-Backbone interact. energy: -3.854 local terms energy: -436.396954 where: bonds (distance) C4'-P energy: -52.739 bonds (distance) P-C4' energy: -75.206 flat angles C4'-P-C4' energy: -104.060 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -138.507 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: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1436.606560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.606560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.606560 (E_RNA) where: Base-Base interactions energy: -1038.780 where: short stacking energy: -486.775 Base-Backbone interact. energy: -1.978 local terms energy: -395.847800 where: bonds (distance) C4'-P energy: -75.142 bonds (distance) P-C4' energy: -67.436 flat angles C4'-P-C4' energy: -87.909 flat angles P-C4'-P energy: -48.435 tors. eta vs tors. theta energy: -116.926 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: 323 Temperature: 1.350000 Total energy: -981.254809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.254809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.254809 (E_RNA) where: Base-Base interactions energy: -680.417 where: short stacking energy: -332.477 Base-Backbone interact. energy: 0.541 local terms energy: -301.379538 where: bonds (distance) C4'-P energy: -77.068 bonds (distance) P-C4' energy: -69.812 flat angles C4'-P-C4' energy: -48.231 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -51.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1986.728699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.728699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.728699 (E_RNA) where: Base-Base interactions energy: -1405.343 where: short stacking energy: -647.781 Base-Backbone interact. energy: -2.245 local terms energy: -579.140432 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -103.622 flat angles C4'-P-C4' energy: -129.067 flat angles P-C4'-P energy: -84.934 tors. eta vs tors. theta energy: -171.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1861.402697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.402697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.402697 (E_RNA) where: Base-Base interactions energy: -1350.325 where: short stacking energy: -588.873 Base-Backbone interact. energy: -1.023 local terms energy: -510.054983 where: bonds (distance) C4'-P energy: -95.308 bonds (distance) P-C4' energy: -71.873 flat angles C4'-P-C4' energy: -108.835 flat angles P-C4'-P energy: -84.604 tors. eta vs tors. theta energy: -149.435 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: 324 Temperature: 1.000000 Total energy: -1817.365805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.365805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.365805 (E_RNA) where: Base-Base interactions energy: -1313.969 where: short stacking energy: -583.508 Base-Backbone interact. energy: -1.820 local terms energy: -501.576867 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -91.722 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -64.252 tors. eta vs tors. theta energy: -149.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1784.024115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.024115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.024115 (E_RNA) where: Base-Base interactions energy: -1288.357 where: short stacking energy: -574.749 Base-Backbone interact. energy: -2.707 local terms energy: -492.960528 where: bonds (distance) C4'-P energy: -73.418 bonds (distance) P-C4' energy: -85.620 flat angles C4'-P-C4' energy: -105.081 flat angles P-C4'-P energy: -75.679 tors. eta vs tors. theta energy: -153.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1701.831016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.831016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.831016 (E_RNA) where: Base-Base interactions energy: -1226.726 where: short stacking energy: -548.671 Base-Backbone interact. energy: -4.037 local terms energy: -471.067663 where: bonds (distance) C4'-P energy: -72.260 bonds (distance) P-C4' energy: -90.053 flat angles C4'-P-C4' energy: -104.816 flat angles P-C4'-P energy: -53.143 tors. eta vs tors. theta energy: -150.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1643.662396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.662396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.662396 (E_RNA) where: Base-Base interactions energy: -1190.479 where: short stacking energy: -530.750 Base-Backbone interact. energy: 1.895 local terms energy: -455.078739 where: bonds (distance) C4'-P energy: -79.518 bonds (distance) P-C4' energy: -77.641 flat angles C4'-P-C4' energy: -95.725 flat angles P-C4'-P energy: -67.540 tors. eta vs tors. theta energy: -134.654 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: 324 Temperature: 1.200000 Total energy: -1626.052877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.052877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.052877 (E_RNA) where: Base-Base interactions energy: -1175.812 where: short stacking energy: -523.792 Base-Backbone interact. energy: 4.219 local terms energy: -454.459960 where: bonds (distance) C4'-P energy: -79.280 bonds (distance) P-C4' energy: -84.111 flat angles C4'-P-C4' energy: -87.628 flat angles P-C4'-P energy: -66.371 tors. eta vs tors. theta energy: -137.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1586.133336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.133336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.133336 (E_RNA) where: Base-Base interactions energy: -1140.864 where: short stacking energy: -498.969 Base-Backbone interact. energy: -1.891 local terms energy: -443.378214 where: bonds (distance) C4'-P energy: -70.546 bonds (distance) P-C4' energy: -73.963 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -61.104 tors. eta vs tors. theta energy: -139.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1389.445598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.445598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.445598 (E_RNA) where: Base-Base interactions energy: -951.098 where: short stacking energy: -451.503 Base-Backbone interact. energy: 1.961 local terms energy: -440.308838 where: bonds (distance) C4'-P energy: -93.531 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -87.751 flat angles P-C4'-P energy: -67.563 tors. eta vs tors. theta energy: -118.205 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: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -967.859409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.859409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.859409 (E_RNA) where: Base-Base interactions energy: -653.683 where: short stacking energy: -296.246 Base-Backbone interact. energy: 0.083 local terms energy: -314.259565 where: bonds (distance) C4'-P energy: -87.681 bonds (distance) P-C4' energy: -70.491 flat angles C4'-P-C4' energy: -77.199 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: -42.348 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: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1970.906236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.906236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.906236 (E_RNA) where: Base-Base interactions energy: -1420.828 where: short stacking energy: -637.705 Base-Backbone interact. energy: -0.252 local terms energy: -549.826248 where: bonds (distance) C4'-P energy: -98.775 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -110.971 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -168.740 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: 2, replica: 7 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1866.179012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.179012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.179012 (E_RNA) where: Base-Base interactions energy: -1348.079 where: short stacking energy: -595.492 Base-Backbone interact. energy: 2.020 local terms energy: -520.120050 where: bonds (distance) C4'-P energy: -89.206 bonds (distance) P-C4' energy: -96.689 flat angles C4'-P-C4' energy: -103.520 flat angles P-C4'-P energy: -73.378 tors. eta vs tors. theta energy: -157.326 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: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1815.294366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.294366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.294366 (E_RNA) where: Base-Base interactions energy: -1293.726 where: short stacking energy: -573.181 Base-Backbone interact. energy: 0.473 local terms energy: -522.041449 where: bonds (distance) C4'-P energy: -92.748 bonds (distance) P-C4' energy: -96.009 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: -155.104 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: 4, replica: 8 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1795.704605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.704605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.704605 (E_RNA) where: Base-Base interactions energy: -1288.195 where: short stacking energy: -591.620 Base-Backbone interact. energy: -1.089 local terms energy: -506.420884 where: bonds (distance) C4'-P energy: -90.517 bonds (distance) P-C4' energy: -89.191 flat angles C4'-P-C4' energy: -95.775 flat angles P-C4'-P energy: -72.278 tors. eta vs tors. theta energy: -158.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1740.022271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.022271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.022271 (E_RNA) where: Base-Base interactions energy: -1242.127 where: short stacking energy: -577.316 Base-Backbone interact. energy: -1.557 local terms energy: -496.337665 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -70.420 flat angles C4'-P-C4' energy: -97.302 flat angles P-C4'-P energy: -74.323 tors. eta vs tors. theta energy: -155.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1663.993027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.993027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.993027 (E_RNA) where: Base-Base interactions energy: -1194.039 where: short stacking energy: -559.943 Base-Backbone interact. energy: -2.416 local terms energy: -467.538175 where: bonds (distance) C4'-P energy: -81.267 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -104.799 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: -136.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1594.854896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.854896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.854896 (E_RNA) where: Base-Base interactions energy: -1143.937 where: short stacking energy: -507.752 Base-Backbone interact. energy: -1.274 local terms energy: -449.643661 where: bonds (distance) C4'-P energy: -71.803 bonds (distance) P-C4' energy: -82.094 flat angles C4'-P-C4' energy: -109.792 flat angles P-C4'-P energy: -51.418 tors. eta vs tors. theta energy: -134.537 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: 325 Temperature: 1.250000 Total energy: -1579.757538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.757538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.757538 (E_RNA) where: Base-Base interactions energy: -1163.042 where: short stacking energy: -500.045 Base-Backbone interact. energy: -2.988 local terms energy: -413.727519 where: bonds (distance) C4'-P energy: -58.304 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -130.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1385.760446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.760446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.760446 (E_RNA) where: Base-Base interactions energy: -975.002 where: short stacking energy: -464.738 Base-Backbone interact. energy: 2.305 local terms energy: -413.063834 where: bonds (distance) C4'-P energy: -79.717 bonds (distance) P-C4' energy: -75.488 flat angles C4'-P-C4' energy: -85.143 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -121.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -987.477937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.477937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.477937 (E_RNA) where: Base-Base interactions energy: -654.442 where: short stacking energy: -312.179 Base-Backbone interact. energy: -1.479 local terms energy: -331.556275 where: bonds (distance) C4'-P energy: -61.425 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -86.324 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -55.017 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: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1986.839890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.839890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.839890 (E_RNA) where: Base-Base interactions energy: -1421.789 where: short stacking energy: -651.558 Base-Backbone interact. energy: -0.652 local terms energy: -564.398328 where: bonds (distance) C4'-P energy: -99.832 bonds (distance) P-C4' energy: -94.657 flat angles C4'-P-C4' energy: -110.545 flat angles P-C4'-P energy: -89.102 tors. eta vs tors. theta energy: -170.262 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: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1855.024027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.024027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.024027 (E_RNA) where: Base-Base interactions energy: -1340.678 where: short stacking energy: -592.206 Base-Backbone interact. energy: 2.250 local terms energy: -516.596370 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -86.526 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -71.775 tors. eta vs tors. theta energy: -162.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1823.242413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.242413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.242413 (E_RNA) where: Base-Base interactions energy: -1316.741 where: short stacking energy: -585.969 Base-Backbone interact. energy: -4.271 local terms energy: -502.230927 where: bonds (distance) C4'-P energy: -91.587 bonds (distance) P-C4' energy: -93.034 flat angles C4'-P-C4' energy: -104.869 flat angles P-C4'-P energy: -59.543 tors. eta vs tors. theta energy: -153.197 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: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1808.487961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.487961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.487961 (E_RNA) where: Base-Base interactions energy: -1290.344 where: short stacking energy: -578.029 Base-Backbone interact. energy: -1.477 local terms energy: -516.666427 where: bonds (distance) C4'-P energy: -83.522 bonds (distance) P-C4' energy: -102.995 flat angles C4'-P-C4' energy: -108.505 flat angles P-C4'-P energy: -64.959 tors. eta vs tors. theta energy: -156.685 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: 326 Temperature: 1.100000 Total energy: -1755.809317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.809317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.809317 (E_RNA) where: Base-Base interactions energy: -1268.963 where: short stacking energy: -583.297 Base-Backbone interact. energy: -0.768 local terms energy: -486.078233 where: bonds (distance) C4'-P energy: -98.237 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -68.939 tors. eta vs tors. theta energy: -157.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1686.107488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.107488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.107488 (E_RNA) where: Base-Base interactions energy: -1212.597 where: short stacking energy: -553.078 Base-Backbone interact. energy: -2.160 local terms energy: -471.350786 where: bonds (distance) C4'-P energy: -78.728 bonds (distance) P-C4' energy: -80.266 flat angles C4'-P-C4' energy: -108.380 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: -145.901 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: 326 Temperature: 1.200000 Total energy: -1614.759119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.759119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.759119 (E_RNA) where: Base-Base interactions energy: -1135.129 where: short stacking energy: -512.242 Base-Backbone interact. energy: -1.220 local terms energy: -478.409275 where: bonds (distance) C4'-P energy: -91.711 bonds (distance) P-C4' energy: -82.041 flat angles C4'-P-C4' energy: -95.049 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -140.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1575.124851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.124851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.124851 (E_RNA) where: Base-Base interactions energy: -1140.488 where: short stacking energy: -493.663 Base-Backbone interact. energy: -2.878 local terms energy: -431.758651 where: bonds (distance) C4'-P energy: -58.161 bonds (distance) P-C4' energy: -88.295 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -63.723 tors. eta vs tors. theta energy: -127.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1354.243631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.243631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.243631 (E_RNA) where: Base-Base interactions energy: -959.652 where: short stacking energy: -469.258 Base-Backbone interact. energy: -0.866 local terms energy: -393.725842 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -78.691 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -124.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -898.779624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.779624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.779624 (E_RNA) where: Base-Base interactions energy: -579.596 where: short stacking energy: -306.106 Base-Backbone interact. energy: 2.731 local terms energy: -321.914161 where: bonds (distance) C4'-P energy: -72.845 bonds (distance) P-C4' energy: -83.314 flat angles C4'-P-C4' energy: -82.269 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: -42.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1973.211632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.211632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.211632 (E_RNA) where: Base-Base interactions energy: -1410.534 where: short stacking energy: -656.605 Base-Backbone interact. energy: -1.864 local terms energy: -560.812940 where: bonds (distance) C4'-P energy: -99.642 bonds (distance) P-C4' energy: -92.675 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -82.067 tors. eta vs tors. theta energy: -169.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1852.583301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.583301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.583301 (E_RNA) where: Base-Base interactions energy: -1338.876 where: short stacking energy: -586.149 Base-Backbone interact. energy: -2.470 local terms energy: -511.237061 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -109.074 flat angles P-C4'-P energy: -80.527 tors. eta vs tors. theta energy: -155.206 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: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1843.746233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.746233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.746233 (E_RNA) where: Base-Base interactions energy: -1320.564 where: short stacking energy: -593.898 Base-Backbone interact. energy: -3.281 local terms energy: -519.901041 where: bonds (distance) C4'-P energy: -96.109 bonds (distance) P-C4' energy: -97.766 flat angles C4'-P-C4' energy: -102.301 flat angles P-C4'-P energy: -73.376 tors. eta vs tors. theta energy: -150.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1760.079332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.079332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.079332 (E_RNA) where: Base-Base interactions energy: -1248.372 where: short stacking energy: -578.619 Base-Backbone interact. energy: -0.761 local terms energy: -510.945919 where: bonds (distance) C4'-P energy: -93.254 bonds (distance) P-C4' energy: -86.798 flat angles C4'-P-C4' energy: -107.199 flat angles P-C4'-P energy: -74.236 tors. eta vs tors. theta energy: -149.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1769.912900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.912900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.912900 (E_RNA) where: Base-Base interactions energy: -1281.266 where: short stacking energy: -568.858 Base-Backbone interact. energy: -1.859 local terms energy: -486.787614 where: bonds (distance) C4'-P energy: -91.007 bonds (distance) P-C4' energy: -90.334 flat angles C4'-P-C4' energy: -94.128 flat angles P-C4'-P energy: -65.446 tors. eta vs tors. theta energy: -145.872 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: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1677.017426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.017426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.017426 (E_RNA) where: Base-Base interactions energy: -1213.276 where: short stacking energy: -566.762 Base-Backbone interact. energy: -1.686 local terms energy: -462.055687 where: bonds (distance) C4'-P energy: -69.551 bonds (distance) P-C4' energy: -80.147 flat angles C4'-P-C4' energy: -105.188 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: -146.553 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: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1609.591851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.591851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.591851 (E_RNA) where: Base-Base interactions energy: -1170.681 where: short stacking energy: -523.891 Base-Backbone interact. energy: 2.408 local terms energy: -441.319571 where: bonds (distance) C4'-P energy: -71.429 bonds (distance) P-C4' energy: -79.545 flat angles C4'-P-C4' energy: -89.366 flat angles P-C4'-P energy: -63.570 tors. eta vs tors. theta energy: -137.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1562.894863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.894863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.894863 (E_RNA) where: Base-Base interactions energy: -1137.994 where: short stacking energy: -493.208 Base-Backbone interact. energy: -0.382 local terms energy: -424.518775 where: bonds (distance) C4'-P energy: -62.621 bonds (distance) P-C4' energy: -81.882 flat angles C4'-P-C4' energy: -85.498 flat angles P-C4'-P energy: -64.527 tors. eta vs tors. theta energy: -129.992 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: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1365.389546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.389546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.389546 (E_RNA) where: Base-Base interactions energy: -977.084 where: short stacking energy: -477.845 Base-Backbone interact. energy: -0.885 local terms energy: -387.420924 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -121.287 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: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -943.016369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.016369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.016369 (E_RNA) where: Base-Base interactions energy: -638.740 where: short stacking energy: -318.126 Base-Backbone interact. energy: -1.657 local terms energy: -302.619377 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -64.242 flat angles C4'-P-C4' energy: -97.083 flat angles P-C4'-P energy: -34.119 tors. eta vs tors. theta energy: -48.073 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: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1988.746478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.746478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.746478 (E_RNA) where: Base-Base interactions energy: -1423.361 where: short stacking energy: -654.364 Base-Backbone interact. energy: -0.273 local terms energy: -565.112290 where: bonds (distance) C4'-P energy: -98.896 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -114.698 flat angles P-C4'-P energy: -85.573 tors. eta vs tors. theta energy: -171.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1849.531663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.531663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.531663 (E_RNA) where: Base-Base interactions energy: -1330.816 where: short stacking energy: -587.913 Base-Backbone interact. energy: -0.450 local terms energy: -518.266155 where: bonds (distance) C4'-P energy: -84.043 bonds (distance) P-C4' energy: -92.139 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: -157.405 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: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1843.188189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.188189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.188189 (E_RNA) where: Base-Base interactions energy: -1326.283 where: short stacking energy: -593.330 Base-Backbone interact. energy: -0.671 local terms energy: -516.234322 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -87.809 flat angles C4'-P-C4' energy: -107.987 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: -155.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1759.893281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.893281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.893281 (E_RNA) where: Base-Base interactions energy: -1249.289 where: short stacking energy: -559.937 Base-Backbone interact. energy: -0.802 local terms energy: -509.802433 where: bonds (distance) C4'-P energy: -92.145 bonds (distance) P-C4' energy: -93.108 flat angles C4'-P-C4' energy: -103.714 flat angles P-C4'-P energy: -66.740 tors. eta vs tors. theta energy: -154.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1713.648950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.648950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.648950 (E_RNA) where: Base-Base interactions energy: -1194.264 where: short stacking energy: -552.251 Base-Backbone interact. energy: -0.689 local terms energy: -518.696191 where: bonds (distance) C4'-P energy: -84.422 bonds (distance) P-C4' energy: -92.770 flat angles C4'-P-C4' energy: -111.250 flat angles P-C4'-P energy: -77.230 tors. eta vs tors. theta energy: -153.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1731.957128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.957128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.957128 (E_RNA) where: Base-Base interactions energy: -1272.185 where: short stacking energy: -570.973 Base-Backbone interact. energy: -0.847 local terms energy: -458.924646 where: bonds (distance) C4'-P energy: -83.030 bonds (distance) P-C4' energy: -71.920 flat angles C4'-P-C4' energy: -101.199 flat angles P-C4'-P energy: -58.248 tors. eta vs tors. theta energy: -144.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1595.815902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.815902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.815902 (E_RNA) where: Base-Base interactions energy: -1147.654 where: short stacking energy: -524.788 Base-Backbone interact. energy: -0.164 local terms energy: -447.998134 where: bonds (distance) C4'-P energy: -86.574 bonds (distance) P-C4' energy: -73.233 flat angles C4'-P-C4' energy: -98.395 flat angles P-C4'-P energy: -54.437 tors. eta vs tors. theta energy: -135.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1557.627329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.627329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.627329 (E_RNA) where: Base-Base interactions energy: -1117.665 where: short stacking energy: -498.991 Base-Backbone interact. energy: -2.472 local terms energy: -437.490746 where: bonds (distance) C4'-P energy: -86.703 bonds (distance) P-C4' energy: -71.217 flat angles C4'-P-C4' energy: -91.378 flat angles P-C4'-P energy: -48.432 tors. eta vs tors. theta energy: -139.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1345.446062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.446062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.446062 (E_RNA) where: Base-Base interactions energy: -955.990 where: short stacking energy: -468.991 Base-Backbone interact. energy: 1.591 local terms energy: -391.046889 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -71.047 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -54.272 tors. eta vs tors. theta energy: -113.265 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: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -967.948247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.948247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.948247 (E_RNA) where: Base-Base interactions energy: -647.536 where: short stacking energy: -310.529 Base-Backbone interact. energy: -0.843 local terms energy: -319.570053 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -79.175 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -42.706 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: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1998.532150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.532150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.532150 (E_RNA) where: Base-Base interactions energy: -1426.480 where: short stacking energy: -680.720 Base-Backbone interact. energy: -1.862 local terms energy: -570.190827 where: bonds (distance) C4'-P energy: -101.123 bonds (distance) P-C4' energy: -89.190 flat angles C4'-P-C4' energy: -122.639 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -176.080 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: 329 Temperature: 0.950000 Total energy: -1895.113251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.113251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.113251 (E_RNA) where: Base-Base interactions energy: -1368.427 where: short stacking energy: -614.196 Base-Backbone interact. energy: -1.139 local terms energy: -525.547411 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -101.719 flat angles C4'-P-C4' energy: -107.429 flat angles P-C4'-P energy: -64.305 tors. eta vs tors. theta energy: -166.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1829.486973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.486973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.486973 (E_RNA) where: Base-Base interactions energy: -1331.090 where: short stacking energy: -600.747 Base-Backbone interact. energy: -2.225 local terms energy: -496.171968 where: bonds (distance) C4'-P energy: -83.310 bonds (distance) P-C4' energy: -83.064 flat angles C4'-P-C4' energy: -110.560 flat angles P-C4'-P energy: -62.478 tors. eta vs tors. theta energy: -156.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1768.308764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.308764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.308764 (E_RNA) where: Base-Base interactions energy: -1264.865 where: short stacking energy: -590.334 Base-Backbone interact. energy: -1.574 local terms energy: -501.869336 where: bonds (distance) C4'-P energy: -94.769 bonds (distance) P-C4' energy: -88.093 flat angles C4'-P-C4' energy: -102.774 flat angles P-C4'-P energy: -65.610 tors. eta vs tors. theta energy: -150.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1696.592094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.592094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.592094 (E_RNA) where: Base-Base interactions energy: -1219.646 where: short stacking energy: -551.238 Base-Backbone interact. energy: -2.993 local terms energy: -473.953295 where: bonds (distance) C4'-P energy: -78.799 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -101.996 flat angles P-C4'-P energy: -66.276 tors. eta vs tors. theta energy: -143.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1718.564597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.564597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.564597 (E_RNA) where: Base-Base interactions energy: -1264.704 where: short stacking energy: -559.630 Base-Backbone interact. energy: -0.124 local terms energy: -453.736678 where: bonds (distance) C4'-P energy: -82.706 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -92.378 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -150.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1617.406053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.406053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.406053 (E_RNA) where: Base-Base interactions energy: -1168.900 where: short stacking energy: -508.380 Base-Backbone interact. energy: -0.008 local terms energy: -448.498542 where: bonds (distance) C4'-P energy: -71.168 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -87.614 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -140.135 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: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1565.902808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.902808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.902808 (E_RNA) where: Base-Base interactions energy: -1117.360 where: short stacking energy: -499.335 Base-Backbone interact. energy: -2.421 local terms energy: -446.121892 where: bonds (distance) C4'-P energy: -82.657 bonds (distance) P-C4' energy: -80.095 flat angles C4'-P-C4' energy: -98.259 flat angles P-C4'-P energy: -55.826 tors. eta vs tors. theta energy: -129.285 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: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1327.948011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.948011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.948011 (E_RNA) where: Base-Base interactions energy: -896.589 where: short stacking energy: -435.023 Base-Backbone interact. energy: -1.017 local terms energy: -430.341549 where: bonds (distance) C4'-P energy: -80.727 bonds (distance) P-C4' energy: -76.334 flat angles C4'-P-C4' energy: -97.779 flat angles P-C4'-P energy: -63.824 tors. eta vs tors. theta energy: -111.679 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: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -942.584975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.584975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.584975 (E_RNA) where: Base-Base interactions energy: -621.365 where: short stacking energy: -333.583 Base-Backbone interact. energy: 0.188 local terms energy: -321.408252 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -72.669 flat angles C4'-P-C4' energy: -69.143 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -66.511 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: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1984.237161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.237161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.237161 (E_RNA) where: Base-Base interactions energy: -1424.394 where: short stacking energy: -649.704 Base-Backbone interact. energy: -1.170 local terms energy: -558.672663 where: bonds (distance) C4'-P energy: -93.648 bonds (distance) P-C4' energy: -92.502 flat angles C4'-P-C4' energy: -116.211 flat angles P-C4'-P energy: -86.920 tors. eta vs tors. theta energy: -169.393 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: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1880.634056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.634056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.634056 (E_RNA) where: Base-Base interactions energy: -1371.850 where: short stacking energy: -601.114 Base-Backbone interact. energy: -1.055 local terms energy: -507.728781 where: bonds (distance) C4'-P energy: -76.487 bonds (distance) P-C4' energy: -101.879 flat angles C4'-P-C4' energy: -101.462 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -160.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1819.040885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.040885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.040885 (E_RNA) where: Base-Base interactions energy: -1300.433 where: short stacking energy: -584.780 Base-Backbone interact. energy: -0.748 local terms energy: -517.860015 where: bonds (distance) C4'-P energy: -76.255 bonds (distance) P-C4' energy: -102.064 flat angles C4'-P-C4' energy: -107.886 flat angles P-C4'-P energy: -75.736 tors. eta vs tors. theta energy: -155.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1759.047468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.047468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.047468 (E_RNA) where: Base-Base interactions energy: -1240.704 where: short stacking energy: -578.362 Base-Backbone interact. energy: -1.643 local terms energy: -516.700595 where: bonds (distance) C4'-P energy: -87.712 bonds (distance) P-C4' energy: -96.427 flat angles C4'-P-C4' energy: -109.590 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -155.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1742.541607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.541607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.541607 (E_RNA) where: Base-Base interactions energy: -1250.304 where: short stacking energy: -554.151 Base-Backbone interact. energy: -1.372 local terms energy: -490.866039 where: bonds (distance) C4'-P energy: -98.309 bonds (distance) P-C4' energy: -86.112 flat angles C4'-P-C4' energy: -99.396 flat angles P-C4'-P energy: -58.810 tors. eta vs tors. theta energy: -148.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1663.585209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.585209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.585209 (E_RNA) where: Base-Base interactions energy: -1216.355 where: short stacking energy: -572.277 Base-Backbone interact. energy: -0.565 local terms energy: -446.665011 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -80.568 flat angles C4'-P-C4' energy: -99.371 flat angles P-C4'-P energy: -55.907 tors. eta vs tors. theta energy: -148.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1659.425604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.425604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.425604 (E_RNA) where: Base-Base interactions energy: -1192.960 where: short stacking energy: -565.649 Base-Backbone interact. energy: -0.649 local terms energy: -465.816591 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -84.346 flat angles C4'-P-C4' energy: -97.303 flat angles P-C4'-P energy: -62.810 tors. eta vs tors. theta energy: -148.398 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: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1525.721569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.721569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.721569 (E_RNA) where: Base-Base interactions energy: -1086.587 where: short stacking energy: -487.466 Base-Backbone interact. energy: -0.546 local terms energy: -438.588566 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -91.878 flat angles C4'-P-C4' energy: -85.101 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: -131.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1334.451382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.451382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.451382 (E_RNA) where: Base-Base interactions energy: -930.350 where: short stacking energy: -443.567 Base-Backbone interact. energy: -1.329 local terms energy: -402.772146 where: bonds (distance) C4'-P energy: -67.069 bonds (distance) P-C4' energy: -66.490 flat angles C4'-P-C4' energy: -98.438 flat angles P-C4'-P energy: -53.767 tors. eta vs tors. theta energy: -117.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1055.262607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.262607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.262607 (E_RNA) where: Base-Base interactions energy: -727.024 where: short stacking energy: -340.165 Base-Backbone interact. energy: 1.187 local terms energy: -329.425404 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -77.391 flat angles C4'-P-C4' energy: -65.864 flat angles P-C4'-P energy: -51.583 tors. eta vs tors. theta energy: -59.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1987.712825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.712825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.712825 (E_RNA) where: Base-Base interactions energy: -1425.024 where: short stacking energy: -639.493 Base-Backbone interact. energy: -0.113 local terms energy: -562.575355 where: bonds (distance) C4'-P energy: -87.674 bonds (distance) P-C4' energy: -101.479 flat angles C4'-P-C4' energy: -119.601 flat angles P-C4'-P energy: -83.523 tors. eta vs tors. theta energy: -170.298 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: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1851.847293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.847293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.847293 (E_RNA) where: Base-Base interactions energy: -1339.846 where: short stacking energy: -612.695 Base-Backbone interact. energy: 0.676 local terms energy: -512.677856 where: bonds (distance) C4'-P energy: -91.841 bonds (distance) P-C4' energy: -89.416 flat angles C4'-P-C4' energy: -102.579 flat angles P-C4'-P energy: -75.069 tors. eta vs tors. theta energy: -153.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1853.219399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.219399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.219399 (E_RNA) where: Base-Base interactions energy: -1343.554 where: short stacking energy: -595.988 Base-Backbone interact. energy: -1.935 local terms energy: -507.731193 where: bonds (distance) C4'-P energy: -81.493 bonds (distance) P-C4' energy: -103.164 flat angles C4'-P-C4' energy: -91.996 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -157.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1768.494146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.494146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.494146 (E_RNA) where: Base-Base interactions energy: -1278.865 where: short stacking energy: -559.075 Base-Backbone interact. energy: -2.533 local terms energy: -487.096104 where: bonds (distance) C4'-P energy: -81.170 bonds (distance) P-C4' energy: -87.729 flat angles C4'-P-C4' energy: -101.267 flat angles P-C4'-P energy: -60.976 tors. eta vs tors. theta energy: -155.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1740.640570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.640570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.640570 (E_RNA) where: Base-Base interactions energy: -1248.056 where: short stacking energy: -569.998 Base-Backbone interact. energy: -0.621 local terms energy: -491.963319 where: bonds (distance) C4'-P energy: -82.241 bonds (distance) P-C4' energy: -90.317 flat angles C4'-P-C4' energy: -99.474 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -154.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1672.981519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.981519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.981519 (E_RNA) where: Base-Base interactions energy: -1201.056 where: short stacking energy: -551.315 Base-Backbone interact. energy: 1.059 local terms energy: -472.983908 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -96.303 flat angles C4'-P-C4' energy: -92.564 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: -148.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1645.833728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.833728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.833728 (E_RNA) where: Base-Base interactions energy: -1183.854 where: short stacking energy: -516.669 Base-Backbone interact. energy: -2.857 local terms energy: -459.122423 where: bonds (distance) C4'-P energy: -81.680 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -98.736 flat angles P-C4'-P energy: -61.871 tors. eta vs tors. theta energy: -152.765 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: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1480.206236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.206236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.206236 (E_RNA) where: Base-Base interactions energy: -1067.430 where: short stacking energy: -486.137 Base-Backbone interact. energy: -0.757 local terms energy: -412.019688 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -67.182 flat angles C4'-P-C4' energy: -100.597 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -125.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1354.127664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.127664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.127664 (E_RNA) where: Base-Base interactions energy: -933.683 where: short stacking energy: -444.114 Base-Backbone interact. energy: -1.469 local terms energy: -418.975603 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -91.127 flat angles C4'-P-C4' energy: -91.264 flat angles P-C4'-P energy: -54.960 tors. eta vs tors. theta energy: -114.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1077.424701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.424701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.424701 (E_RNA) where: Base-Base interactions energy: -715.828 where: short stacking energy: -296.167 Base-Backbone interact. energy: -1.890 local terms energy: -359.706959 where: bonds (distance) C4'-P energy: -82.648 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -80.944 flat angles P-C4'-P energy: -47.827 tors. eta vs tors. theta energy: -66.043 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: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1972.404455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.404455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.404455 (E_RNA) where: Base-Base interactions energy: -1407.530 where: short stacking energy: -635.346 Base-Backbone interact. energy: 0.355 local terms energy: -565.229004 where: bonds (distance) C4'-P energy: -106.179 bonds (distance) P-C4' energy: -102.024 flat angles C4'-P-C4' energy: -109.234 flat angles P-C4'-P energy: -78.689 tors. eta vs tors. theta energy: -169.103 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: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1850.648843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.648843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.648843 (E_RNA) where: Base-Base interactions energy: -1342.090 where: short stacking energy: -592.309 Base-Backbone interact. energy: -3.521 local terms energy: -505.038218 where: bonds (distance) C4'-P energy: -86.326 bonds (distance) P-C4' energy: -89.436 flat angles C4'-P-C4' energy: -104.548 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -153.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1861.178016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.178016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.178016 (E_RNA) where: Base-Base interactions energy: -1329.273 where: short stacking energy: -602.358 Base-Backbone interact. energy: -0.359 local terms energy: -531.546191 where: bonds (distance) C4'-P energy: -97.181 bonds (distance) P-C4' energy: -103.924 flat angles C4'-P-C4' energy: -105.593 flat angles P-C4'-P energy: -67.975 tors. eta vs tors. theta energy: -156.872 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: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1799.344304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.344304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.344304 (E_RNA) where: Base-Base interactions energy: -1322.026 where: short stacking energy: -603.879 Base-Backbone interact. energy: 1.874 local terms energy: -479.191632 where: bonds (distance) C4'-P energy: -73.596 bonds (distance) P-C4' energy: -90.352 flat angles C4'-P-C4' energy: -98.002 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -157.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1702.140282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.140282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.140282 (E_RNA) where: Base-Base interactions energy: -1221.246 where: short stacking energy: -564.619 Base-Backbone interact. energy: -1.186 local terms energy: -479.708197 where: bonds (distance) C4'-P energy: -79.106 bonds (distance) P-C4' energy: -88.170 flat angles C4'-P-C4' energy: -104.591 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -152.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1673.684066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.684066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.684066 (E_RNA) where: Base-Base interactions energy: -1212.052 where: short stacking energy: -549.165 Base-Backbone interact. energy: 2.067 local terms energy: -463.698768 where: bonds (distance) C4'-P energy: -71.886 bonds (distance) P-C4' energy: -77.385 flat angles C4'-P-C4' energy: -100.823 flat angles P-C4'-P energy: -65.794 tors. eta vs tors. theta energy: -147.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1654.405046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.405046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.405046 (E_RNA) where: Base-Base interactions energy: -1199.204 where: short stacking energy: -551.589 Base-Backbone interact. energy: 1.043 local terms energy: -456.243763 where: bonds (distance) C4'-P energy: -85.403 bonds (distance) P-C4' energy: -72.373 flat angles C4'-P-C4' energy: -98.468 flat angles P-C4'-P energy: -57.058 tors. eta vs tors. theta energy: -142.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1503.194930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.194930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.194930 (E_RNA) where: Base-Base interactions energy: -1070.453 where: short stacking energy: -484.435 Base-Backbone interact. energy: -1.194 local terms energy: -431.548111 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -78.833 flat angles C4'-P-C4' energy: -95.531 flat angles P-C4'-P energy: -58.652 tors. eta vs tors. theta energy: -123.818 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: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1362.836580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.836580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.836580 (E_RNA) where: Base-Base interactions energy: -986.196 where: short stacking energy: -477.290 Base-Backbone interact. energy: 1.964 local terms energy: -378.604078 where: bonds (distance) C4'-P energy: -63.728 bonds (distance) P-C4' energy: -63.555 flat angles C4'-P-C4' energy: -90.835 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -119.296 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: 332 Temperature: 1.350000 Total energy: -1052.219114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.219114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.219114 (E_RNA) where: Base-Base interactions energy: -739.265 where: short stacking energy: -339.997 Base-Backbone interact. energy: -4.032 local terms energy: -308.922073 where: bonds (distance) C4'-P energy: -48.911 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -78.323 flat angles P-C4'-P energy: -32.762 tors. eta vs tors. theta energy: -72.216 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: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1989.166331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.166331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.166331 (E_RNA) where: Base-Base interactions energy: -1434.835 where: short stacking energy: -652.945 Base-Backbone interact. energy: -0.136 local terms energy: -554.195850 where: bonds (distance) C4'-P energy: -93.204 bonds (distance) P-C4' energy: -98.376 flat angles C4'-P-C4' energy: -116.162 flat angles P-C4'-P energy: -74.337 tors. eta vs tors. theta energy: -172.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1854.210607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.210607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.210607 (E_RNA) where: Base-Base interactions energy: -1314.057 where: short stacking energy: -578.146 Base-Backbone interact. energy: -6.313 local terms energy: -533.840644 where: bonds (distance) C4'-P energy: -95.286 bonds (distance) P-C4' energy: -96.554 flat angles C4'-P-C4' energy: -110.781 flat angles P-C4'-P energy: -76.846 tors. eta vs tors. theta energy: -154.373 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: 333 Temperature: 1.000000 Total energy: -1835.648030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.648030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.648030 (E_RNA) where: Base-Base interactions energy: -1327.132 where: short stacking energy: -600.340 Base-Backbone interact. energy: -1.046 local terms energy: -507.470064 where: bonds (distance) C4'-P energy: -73.055 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -109.960 flat angles P-C4'-P energy: -71.324 tors. eta vs tors. theta energy: -162.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1788.373064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.373064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.373064 (E_RNA) where: Base-Base interactions energy: -1289.061 where: short stacking energy: -593.115 Base-Backbone interact. energy: -2.646 local terms energy: -496.666442 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -80.964 flat angles C4'-P-C4' energy: -110.456 flat angles P-C4'-P energy: -71.196 tors. eta vs tors. theta energy: -148.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1702.445812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.445812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.445812 (E_RNA) where: Base-Base interactions energy: -1211.314 where: short stacking energy: -561.122 Base-Backbone interact. energy: -4.892 local terms energy: -486.240215 where: bonds (distance) C4'-P energy: -84.955 bonds (distance) P-C4' energy: -78.846 flat angles C4'-P-C4' energy: -99.502 flat angles P-C4'-P energy: -73.312 tors. eta vs tors. theta energy: -149.625 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: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1706.566238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.566238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.566238 (E_RNA) where: Base-Base interactions energy: -1224.400 where: short stacking energy: -563.804 Base-Backbone interact. energy: -0.583 local terms energy: -481.583627 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -93.163 flat angles C4'-P-C4' energy: -101.311 flat angles P-C4'-P energy: -56.461 tors. eta vs tors. theta energy: -152.074 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: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1585.431859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.431859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.431859 (E_RNA) where: Base-Base interactions energy: -1135.168 where: short stacking energy: -506.301 Base-Backbone interact. energy: -1.286 local terms energy: -448.977647 where: bonds (distance) C4'-P energy: -80.345 bonds (distance) P-C4' energy: -79.568 flat angles C4'-P-C4' energy: -95.859 flat angles P-C4'-P energy: -57.612 tors. eta vs tors. theta energy: -135.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1478.260343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.260343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.260343 (E_RNA) where: Base-Base interactions energy: -1055.769 where: short stacking energy: -491.182 Base-Backbone interact. energy: 0.872 local terms energy: -423.363685 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -90.223 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -118.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1384.627264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.627264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.627264 (E_RNA) where: Base-Base interactions energy: -971.934 where: short stacking energy: -449.672 Base-Backbone interact. energy: 0.971 local terms energy: -413.664394 where: bonds (distance) C4'-P energy: -88.188 bonds (distance) P-C4' energy: -67.388 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -54.775 tors. eta vs tors. theta energy: -113.995 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: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1154.444051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.444051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.444051 (E_RNA) where: Base-Base interactions energy: -805.015 where: short stacking energy: -381.175 Base-Backbone interact. energy: 0.948 local terms energy: -350.377036 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -93.453 flat angles P-C4'-P energy: -39.424 tors. eta vs tors. theta energy: -87.806 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: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1984.759380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.759380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.759380 (E_RNA) where: Base-Base interactions energy: -1425.787 where: short stacking energy: -642.424 Base-Backbone interact. energy: 0.108 local terms energy: -559.079847 where: bonds (distance) C4'-P energy: -101.586 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -117.609 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -171.017 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1872.029130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.029130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.029130 (E_RNA) where: Base-Base interactions energy: -1337.100 where: short stacking energy: -610.000 Base-Backbone interact. energy: -1.687 local terms energy: -533.242340 where: bonds (distance) C4'-P energy: -87.892 bonds (distance) P-C4' energy: -96.406 flat angles C4'-P-C4' energy: -111.699 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -161.483 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: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1841.867787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.867787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.867787 (E_RNA) where: Base-Base interactions energy: -1316.333 where: short stacking energy: -605.572 Base-Backbone interact. energy: -1.096 local terms energy: -524.439384 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -98.746 flat angles P-C4'-P energy: -81.059 tors. eta vs tors. theta energy: -163.679 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: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1792.667358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.667358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.667358 (E_RNA) where: Base-Base interactions energy: -1292.145 where: short stacking energy: -575.437 Base-Backbone interact. energy: -0.045 local terms energy: -500.476796 where: bonds (distance) C4'-P energy: -83.454 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -112.242 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -153.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1701.223996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.223996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.223996 (E_RNA) where: Base-Base interactions energy: -1221.380 where: short stacking energy: -538.297 Base-Backbone interact. energy: 5.268 local terms energy: -485.112294 where: bonds (distance) C4'-P energy: -75.366 bonds (distance) P-C4' energy: -91.608 flat angles C4'-P-C4' energy: -106.046 flat angles P-C4'-P energy: -68.708 tors. eta vs tors. theta energy: -143.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1684.535669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.535669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.535669 (E_RNA) where: Base-Base interactions energy: -1191.052 where: short stacking energy: -559.539 Base-Backbone interact. energy: 0.723 local terms energy: -494.207010 where: bonds (distance) C4'-P energy: -85.260 bonds (distance) P-C4' energy: -90.073 flat angles C4'-P-C4' energy: -101.368 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -151.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1620.300271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.300271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.300271 (E_RNA) where: Base-Base interactions energy: -1170.642 where: short stacking energy: -506.127 Base-Backbone interact. energy: 3.667 local terms energy: -453.324643 where: bonds (distance) C4'-P energy: -80.618 bonds (distance) P-C4' energy: -90.112 flat angles C4'-P-C4' energy: -88.366 flat angles P-C4'-P energy: -62.565 tors. eta vs tors. theta energy: -131.663 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: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1514.105091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.105091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.105091 (E_RNA) where: Base-Base interactions energy: -1106.375 where: short stacking energy: -466.201 Base-Backbone interact. energy: -1.997 local terms energy: -405.732839 where: bonds (distance) C4'-P energy: -78.455 bonds (distance) P-C4' energy: -62.817 flat angles C4'-P-C4' energy: -86.131 flat angles P-C4'-P energy: -49.763 tors. eta vs tors. theta energy: -128.566 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: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1387.922348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.922348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.922348 (E_RNA) where: Base-Base interactions energy: -974.035 where: short stacking energy: -481.451 Base-Backbone interact. energy: -1.693 local terms energy: -412.193924 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -49.586 tors. eta vs tors. theta energy: -121.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1115.882645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.882645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.882645 (E_RNA) where: Base-Base interactions energy: -763.753 where: short stacking energy: -359.432 Base-Backbone interact. energy: -2.030 local terms energy: -350.099487 where: bonds (distance) C4'-P energy: -84.077 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -75.819 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -79.917 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: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2002.573858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.573858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.573858 (E_RNA) where: Base-Base interactions energy: -1445.960 where: short stacking energy: -663.417 Base-Backbone interact. energy: -1.107 local terms energy: -555.507593 where: bonds (distance) C4'-P energy: -98.669 bonds (distance) P-C4' energy: -84.175 flat angles C4'-P-C4' energy: -114.631 flat angles P-C4'-P energy: -85.217 tors. eta vs tors. theta energy: -172.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1851.452934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.452934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.452934 (E_RNA) where: Base-Base interactions energy: -1320.496 where: short stacking energy: -602.411 Base-Backbone interact. energy: -4.375 local terms energy: -526.582500 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -109.289 flat angles P-C4'-P energy: -73.102 tors. eta vs tors. theta energy: -160.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1817.828390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.828390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.828390 (E_RNA) where: Base-Base interactions energy: -1324.017 where: short stacking energy: -580.163 Base-Backbone interact. energy: -1.737 local terms energy: -492.074218 where: bonds (distance) C4'-P energy: -81.042 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -104.787 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: -155.431 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: 335 Temperature: 1.050000 Total energy: -1786.100093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.100093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.100093 (E_RNA) where: Base-Base interactions energy: -1270.856 where: short stacking energy: -562.516 Base-Backbone interact. energy: -2.194 local terms energy: -513.050318 where: bonds (distance) C4'-P energy: -99.310 bonds (distance) P-C4' energy: -92.603 flat angles C4'-P-C4' energy: -105.852 flat angles P-C4'-P energy: -67.253 tors. eta vs tors. theta energy: -148.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1725.702312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.702312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.702312 (E_RNA) where: Base-Base interactions energy: -1250.764 where: short stacking energy: -557.625 Base-Backbone interact. energy: 3.424 local terms energy: -478.362327 where: bonds (distance) C4'-P energy: -69.140 bonds (distance) P-C4' energy: -89.987 flat angles C4'-P-C4' energy: -106.579 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -145.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1699.330092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.330092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.330092 (E_RNA) where: Base-Base interactions energy: -1249.818 where: short stacking energy: -550.174 Base-Backbone interact. energy: 0.188 local terms energy: -449.700796 where: bonds (distance) C4'-P energy: -81.739 bonds (distance) P-C4' energy: -78.231 flat angles C4'-P-C4' energy: -96.160 flat angles P-C4'-P energy: -64.320 tors. eta vs tors. theta energy: -129.251 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: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1628.543383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.543383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.543383 (E_RNA) where: Base-Base interactions energy: -1169.802 where: short stacking energy: -525.430 Base-Backbone interact. energy: -1.560 local terms energy: -457.181563 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -98.181 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -140.269 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: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1532.222751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.222751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.222751 (E_RNA) where: Base-Base interactions energy: -1104.108 where: short stacking energy: -513.815 Base-Backbone interact. energy: -1.690 local terms energy: -426.423899 where: bonds (distance) C4'-P energy: -74.992 bonds (distance) P-C4' energy: -70.172 flat angles C4'-P-C4' energy: -90.269 flat angles P-C4'-P energy: -59.773 tors. eta vs tors. theta energy: -131.218 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: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1411.538740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.538740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.538740 (E_RNA) where: Base-Base interactions energy: -991.105 where: short stacking energy: -487.336 Base-Backbone interact. energy: -1.223 local terms energy: -419.211519 where: bonds (distance) C4'-P energy: -82.268 bonds (distance) P-C4' energy: -76.155 flat angles C4'-P-C4' energy: -88.096 flat angles P-C4'-P energy: -60.216 tors. eta vs tors. theta energy: -112.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1099.250537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.250537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.250537 (E_RNA) where: Base-Base interactions energy: -750.633 where: short stacking energy: -354.519 Base-Backbone interact. energy: 6.338 local terms energy: -354.955047 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -75.880 flat angles C4'-P-C4' energy: -82.057 flat angles P-C4'-P energy: -53.740 tors. eta vs tors. theta energy: -69.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1976.124341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.124341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.124341 (E_RNA) where: Base-Base interactions energy: -1420.292 where: short stacking energy: -651.901 Base-Backbone interact. energy: -1.558 local terms energy: -554.274911 where: bonds (distance) C4'-P energy: -86.604 bonds (distance) P-C4' energy: -95.991 flat angles C4'-P-C4' energy: -118.272 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -174.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1882.659562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.659562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.659562 (E_RNA) where: Base-Base interactions energy: -1332.052 where: short stacking energy: -594.667 Base-Backbone interact. energy: -1.950 local terms energy: -548.657969 where: bonds (distance) C4'-P energy: -96.788 bonds (distance) P-C4' energy: -94.392 flat angles C4'-P-C4' energy: -111.108 flat angles P-C4'-P energy: -86.359 tors. eta vs tors. theta energy: -160.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1829.442546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.442546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.442546 (E_RNA) where: Base-Base interactions energy: -1312.021 where: short stacking energy: -583.628 Base-Backbone interact. energy: -1.163 local terms energy: -516.258231 where: bonds (distance) C4'-P energy: -97.517 bonds (distance) P-C4' energy: -92.197 flat angles C4'-P-C4' energy: -103.269 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -152.360 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: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1799.314392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.314392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.314392 (E_RNA) where: Base-Base interactions energy: -1289.013 where: short stacking energy: -571.357 Base-Backbone interact. energy: -4.208 local terms energy: -506.093926 where: bonds (distance) C4'-P energy: -89.571 bonds (distance) P-C4' energy: -88.197 flat angles C4'-P-C4' energy: -107.293 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -155.759 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: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1726.646182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.646182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.646182 (E_RNA) where: Base-Base interactions energy: -1240.837 where: short stacking energy: -558.837 Base-Backbone interact. energy: -2.108 local terms energy: -483.701014 where: bonds (distance) C4'-P energy: -91.136 bonds (distance) P-C4' energy: -77.905 flat angles C4'-P-C4' energy: -104.840 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -142.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1687.405825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.405825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.405825 (E_RNA) where: Base-Base interactions energy: -1207.717 where: short stacking energy: -569.255 Base-Backbone interact. energy: -2.774 local terms energy: -476.915158 where: bonds (distance) C4'-P energy: -81.840 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -101.265 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -152.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1624.634860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.634860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.634860 (E_RNA) where: Base-Base interactions energy: -1170.243 where: short stacking energy: -514.441 Base-Backbone interact. energy: -2.590 local terms energy: -451.801750 where: bonds (distance) C4'-P energy: -84.817 bonds (distance) P-C4' energy: -78.943 flat angles C4'-P-C4' energy: -96.578 flat angles P-C4'-P energy: -52.731 tors. eta vs tors. theta energy: -138.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1531.176673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.176673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.176673 (E_RNA) where: Base-Base interactions energy: -1107.245 where: short stacking energy: -513.191 Base-Backbone interact. energy: -1.367 local terms energy: -422.564266 where: bonds (distance) C4'-P energy: -74.479 bonds (distance) P-C4' energy: -65.348 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -50.291 tors. eta vs tors. theta energy: -136.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1375.580867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.580867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.580867 (E_RNA) where: Base-Base interactions energy: -966.951 where: short stacking energy: -452.517 Base-Backbone interact. energy: -1.036 local terms energy: -407.594174 where: bonds (distance) C4'-P energy: -78.677 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -88.448 flat angles P-C4'-P energy: -38.812 tors. eta vs tors. theta energy: -115.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1071.255443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.255443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.255443 (E_RNA) where: Base-Base interactions energy: -730.190 where: short stacking energy: -360.247 Base-Backbone interact. energy: 0.558 local terms energy: -341.622871 where: bonds (distance) C4'-P energy: -74.019 bonds (distance) P-C4' energy: -53.488 flat angles C4'-P-C4' energy: -96.257 flat angles P-C4'-P energy: -40.364 tors. eta vs tors. theta energy: -77.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1981.146462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.146462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.146462 (E_RNA) where: Base-Base interactions energy: -1425.548 where: short stacking energy: -658.528 Base-Backbone interact. energy: -0.162 local terms energy: -555.436478 where: bonds (distance) C4'-P energy: -87.776 bonds (distance) P-C4' energy: -100.556 flat angles C4'-P-C4' energy: -111.711 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -174.384 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: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1857.148347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.148347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.148347 (E_RNA) where: Base-Base interactions energy: -1339.012 where: short stacking energy: -600.685 Base-Backbone interact. energy: -2.155 local terms energy: -515.980513 where: bonds (distance) C4'-P energy: -89.118 bonds (distance) P-C4' energy: -95.664 flat angles C4'-P-C4' energy: -113.762 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -152.576 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: 3, replica: 7 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1829.266109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.266109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.266109 (E_RNA) where: Base-Base interactions energy: -1305.449 where: short stacking energy: -585.288 Base-Backbone interact. energy: 0.137 local terms energy: -523.953340 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -92.084 flat angles C4'-P-C4' energy: -111.385 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -158.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1797.408220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.408220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.408220 (E_RNA) where: Base-Base interactions energy: -1307.735 where: short stacking energy: -594.510 Base-Backbone interact. energy: -0.058 local terms energy: -489.614757 where: bonds (distance) C4'-P energy: -103.826 bonds (distance) P-C4' energy: -76.020 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: -154.916 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: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1723.674500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.674500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.674500 (E_RNA) where: Base-Base interactions energy: -1245.241 where: short stacking energy: -574.064 Base-Backbone interact. energy: -1.845 local terms energy: -476.589004 where: bonds (distance) C4'-P energy: -78.635 bonds (distance) P-C4' energy: -82.685 flat angles C4'-P-C4' energy: -104.605 flat angles P-C4'-P energy: -65.200 tors. eta vs tors. theta energy: -145.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1643.716598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.716598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.716598 (E_RNA) where: Base-Base interactions energy: -1165.034 where: short stacking energy: -522.541 Base-Backbone interact. energy: -1.997 local terms energy: -476.685213 where: bonds (distance) C4'-P energy: -82.728 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -99.059 flat angles P-C4'-P energy: -65.143 tors. eta vs tors. theta energy: -135.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1630.302970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.302970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.302970 (E_RNA) where: Base-Base interactions energy: -1134.699 where: short stacking energy: -504.876 Base-Backbone interact. energy: -2.248 local terms energy: -493.355552 where: bonds (distance) C4'-P energy: -77.316 bonds (distance) P-C4' energy: -84.899 flat angles C4'-P-C4' energy: -105.852 flat angles P-C4'-P energy: -76.837 tors. eta vs tors. theta energy: -148.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1573.368507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.368507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.368507 (E_RNA) where: Base-Base interactions energy: -1137.591 where: short stacking energy: -530.250 Base-Backbone interact. energy: -0.211 local terms energy: -435.567016 where: bonds (distance) C4'-P energy: -85.788 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -91.275 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -136.216 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: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1393.430623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.430623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.430623 (E_RNA) where: Base-Base interactions energy: -984.694 where: short stacking energy: -461.069 Base-Backbone interact. energy: -0.999 local terms energy: -407.737530 where: bonds (distance) C4'-P energy: -71.094 bonds (distance) P-C4' energy: -85.721 flat angles C4'-P-C4' energy: -88.914 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: -114.584 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: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -983.449655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.449655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.449655 (E_RNA) where: Base-Base interactions energy: -655.385 where: short stacking energy: -329.659 Base-Backbone interact. energy: 0.852 local terms energy: -328.917502 where: bonds (distance) C4'-P energy: -67.972 bonds (distance) P-C4' energy: -71.382 flat angles C4'-P-C4' energy: -78.184 flat angles P-C4'-P energy: -52.059 tors. eta vs tors. theta energy: -59.320 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: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1992.971467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.971467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.971467 (E_RNA) where: Base-Base interactions energy: -1443.838 where: short stacking energy: -640.390 Base-Backbone interact. energy: -0.969 local terms energy: -548.164115 where: bonds (distance) C4'-P energy: -95.727 bonds (distance) P-C4' energy: -99.440 flat angles C4'-P-C4' energy: -106.216 flat angles P-C4'-P energy: -76.081 tors. eta vs tors. theta energy: -170.700 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: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1867.128038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.128038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.128038 (E_RNA) where: Base-Base interactions energy: -1356.144 where: short stacking energy: -622.930 Base-Backbone interact. energy: 0.400 local terms energy: -511.384729 where: bonds (distance) C4'-P energy: -73.058 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -164.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1812.090499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.090499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.090499 (E_RNA) where: Base-Base interactions energy: -1311.798 where: short stacking energy: -581.431 Base-Backbone interact. energy: -0.059 local terms energy: -500.233067 where: bonds (distance) C4'-P energy: -84.900 bonds (distance) P-C4' energy: -77.803 flat angles C4'-P-C4' energy: -103.593 flat angles P-C4'-P energy: -73.698 tors. eta vs tors. theta energy: -160.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1791.744275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.744275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.744275 (E_RNA) where: Base-Base interactions energy: -1287.456 where: short stacking energy: -566.243 Base-Backbone interact. energy: -3.287 local terms energy: -501.001440 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -65.487 flat angles C4'-P-C4' energy: -111.828 flat angles P-C4'-P energy: -75.973 tors. eta vs tors. theta energy: -153.841 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: 338 Temperature: 1.100000 Total energy: -1741.280262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.280262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.280262 (E_RNA) where: Base-Base interactions energy: -1260.428 where: short stacking energy: -564.904 Base-Backbone interact. energy: -2.165 local terms energy: -478.687293 where: bonds (distance) C4'-P energy: -78.698 bonds (distance) P-C4' energy: -84.975 flat angles C4'-P-C4' energy: -99.908 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -149.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1674.914534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.914534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.914534 (E_RNA) where: Base-Base interactions energy: -1191.846 where: short stacking energy: -550.754 Base-Backbone interact. energy: -0.245 local terms energy: -482.823460 where: bonds (distance) C4'-P energy: -68.132 bonds (distance) P-C4' energy: -99.880 flat angles C4'-P-C4' energy: -101.310 flat angles P-C4'-P energy: -70.227 tors. eta vs tors. theta energy: -143.275 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1630.909991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.909991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.909991 (E_RNA) where: Base-Base interactions energy: -1165.418 where: short stacking energy: -544.922 Base-Backbone interact. energy: -2.302 local terms energy: -463.189754 where: bonds (distance) C4'-P energy: -84.981 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -64.863 tors. eta vs tors. theta energy: -134.986 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: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1581.662679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.662679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.662679 (E_RNA) where: Base-Base interactions energy: -1143.647 where: short stacking energy: -534.186 Base-Backbone interact. energy: 0.954 local terms energy: -438.969975 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -84.818 flat angles C4'-P-C4' energy: -94.360 flat angles P-C4'-P energy: -58.559 tors. eta vs tors. theta energy: -137.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1456.003654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.003654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.003654 (E_RNA) where: Base-Base interactions energy: -1031.824 where: short stacking energy: -489.845 Base-Backbone interact. energy: 0.995 local terms energy: -425.174814 where: bonds (distance) C4'-P energy: -76.720 bonds (distance) P-C4' energy: -71.172 flat angles C4'-P-C4' energy: -92.793 flat angles P-C4'-P energy: -58.230 tors. eta vs tors. theta energy: -126.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -978.242029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.242029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.242029 (E_RNA) where: Base-Base interactions energy: -664.702 where: short stacking energy: -327.636 Base-Backbone interact. energy: -2.091 local terms energy: -311.449262 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -65.354 flat angles C4'-P-C4' energy: -79.151 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -57.296 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: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1993.050346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.050346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.050346 (E_RNA) where: Base-Base interactions energy: -1435.506 where: short stacking energy: -664.188 Base-Backbone interact. energy: -0.762 local terms energy: -556.782404 where: bonds (distance) C4'-P energy: -97.096 bonds (distance) P-C4' energy: -89.392 flat angles C4'-P-C4' energy: -111.731 flat angles P-C4'-P energy: -89.810 tors. eta vs tors. theta energy: -168.754 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: 2, replica: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1846.119594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.119594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.119594 (E_RNA) where: Base-Base interactions energy: -1337.700 where: short stacking energy: -608.424 Base-Backbone interact. energy: -2.397 local terms energy: -506.022651 where: bonds (distance) C4'-P energy: -94.968 bonds (distance) P-C4' energy: -69.966 flat angles C4'-P-C4' energy: -116.864 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -152.324 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: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1828.105475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.105475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.105475 (E_RNA) where: Base-Base interactions energy: -1317.327 where: short stacking energy: -591.796 Base-Backbone interact. energy: -1.777 local terms energy: -509.001894 where: bonds (distance) C4'-P energy: -87.095 bonds (distance) P-C4' energy: -83.170 flat angles C4'-P-C4' energy: -107.731 flat angles P-C4'-P energy: -78.942 tors. eta vs tors. theta energy: -152.065 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: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1796.125950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.125950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.125950 (E_RNA) where: Base-Base interactions energy: -1281.456 where: short stacking energy: -577.036 Base-Backbone interact. energy: -3.557 local terms energy: -511.112878 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -94.100 flat angles C4'-P-C4' energy: -113.388 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -149.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1754.447567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.447567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.447567 (E_RNA) where: Base-Base interactions energy: -1253.091 where: short stacking energy: -584.492 Base-Backbone interact. energy: -2.982 local terms energy: -498.374361 where: bonds (distance) C4'-P energy: -76.019 bonds (distance) P-C4' energy: -93.280 flat angles C4'-P-C4' energy: -104.373 flat angles P-C4'-P energy: -71.093 tors. eta vs tors. theta energy: -153.610 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: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1624.551269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.551269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.551269 (E_RNA) where: Base-Base interactions energy: -1187.217 where: short stacking energy: -533.396 Base-Backbone interact. energy: -0.006 local terms energy: -437.328669 where: bonds (distance) C4'-P energy: -60.268 bonds (distance) P-C4' energy: -83.760 flat angles C4'-P-C4' energy: -103.401 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: -144.006 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: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1606.955145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.955145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.955145 (E_RNA) where: Base-Base interactions energy: -1153.607 where: short stacking energy: -514.074 Base-Backbone interact. energy: -2.473 local terms energy: -450.874832 where: bonds (distance) C4'-P energy: -82.346 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -136.155 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: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1547.015397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.015397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.015397 (E_RNA) where: Base-Base interactions energy: -1116.548 where: short stacking energy: -524.409 Base-Backbone interact. energy: -0.921 local terms energy: -429.546043 where: bonds (distance) C4'-P energy: -75.056 bonds (distance) P-C4' energy: -61.528 flat angles C4'-P-C4' energy: -99.629 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -140.963 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: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1452.933751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.933751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.933751 (E_RNA) where: Base-Base interactions energy: -1052.724 where: short stacking energy: -484.734 Base-Backbone interact. energy: -1.549 local terms energy: -398.660713 where: bonds (distance) C4'-P energy: -68.363 bonds (distance) P-C4' energy: -65.276 flat angles C4'-P-C4' energy: -99.058 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -120.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1035.083199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.083199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.083199 (E_RNA) where: Base-Base interactions energy: -683.129 where: short stacking energy: -329.452 Base-Backbone interact. energy: -1.372 local terms energy: -350.582804 where: bonds (distance) C4'-P energy: -53.549 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -89.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1988.791226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.791226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.791226 (E_RNA) where: Base-Base interactions energy: -1442.975 where: short stacking energy: -655.062 Base-Backbone interact. energy: -0.986 local terms energy: -544.830256 where: bonds (distance) C4'-P energy: -92.397 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -121.394 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: -167.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1858.854780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.854780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.854780 (E_RNA) where: Base-Base interactions energy: -1327.409 where: short stacking energy: -593.614 Base-Backbone interact. energy: -3.637 local terms energy: -527.808347 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -100.894 flat angles C4'-P-C4' energy: -107.522 flat angles P-C4'-P energy: -69.693 tors. eta vs tors. theta energy: -151.159 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: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1840.051712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.051712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.051712 (E_RNA) where: Base-Base interactions energy: -1316.275 where: short stacking energy: -589.304 Base-Backbone interact. energy: 1.724 local terms energy: -525.500455 where: bonds (distance) C4'-P energy: -89.449 bonds (distance) P-C4' energy: -98.864 flat angles C4'-P-C4' energy: -113.125 flat angles P-C4'-P energy: -73.826 tors. eta vs tors. theta energy: -150.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1783.439811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.439811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.439811 (E_RNA) where: Base-Base interactions energy: -1290.174 where: short stacking energy: -561.801 Base-Backbone interact. energy: -2.972 local terms energy: -490.293007 where: bonds (distance) C4'-P energy: -74.839 bonds (distance) P-C4' energy: -91.949 flat angles C4'-P-C4' energy: -98.592 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -149.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1727.562597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.562597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.562597 (E_RNA) where: Base-Base interactions energy: -1246.239 where: short stacking energy: -551.958 Base-Backbone interact. energy: -4.221 local terms energy: -477.102010 where: bonds (distance) C4'-P energy: -67.516 bonds (distance) P-C4' energy: -89.517 flat angles C4'-P-C4' energy: -100.638 flat angles P-C4'-P energy: -69.647 tors. eta vs tors. theta energy: -149.785 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: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1621.873464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.873464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.873464 (E_RNA) where: Base-Base interactions energy: -1166.479 where: short stacking energy: -560.570 Base-Backbone interact. energy: -0.724 local terms energy: -454.670250 where: bonds (distance) C4'-P energy: -74.862 bonds (distance) P-C4' energy: -76.034 flat angles C4'-P-C4' energy: -93.550 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -148.230 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: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1651.404140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.404140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.404140 (E_RNA) where: Base-Base interactions energy: -1179.550 where: short stacking energy: -539.509 Base-Backbone interact. energy: -0.793 local terms energy: -471.061349 where: bonds (distance) C4'-P energy: -72.702 bonds (distance) P-C4' energy: -82.924 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -71.360 tors. eta vs tors. theta energy: -146.707 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: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1575.347432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.347432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.347432 (E_RNA) where: Base-Base interactions energy: -1146.268 where: short stacking energy: -496.968 Base-Backbone interact. energy: 1.795 local terms energy: -430.874331 where: bonds (distance) C4'-P energy: -72.273 bonds (distance) P-C4' energy: -77.216 flat angles C4'-P-C4' energy: -90.426 flat angles P-C4'-P energy: -59.156 tors. eta vs tors. theta energy: -131.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1480.629867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.629867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.629867 (E_RNA) where: Base-Base interactions energy: -1061.912 where: short stacking energy: -490.424 Base-Backbone interact. energy: 1.740 local terms energy: -420.458124 where: bonds (distance) C4'-P energy: -68.401 bonds (distance) P-C4' energy: -78.950 flat angles C4'-P-C4' energy: -90.128 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -132.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -994.315056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.315056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.315056 (E_RNA) where: Base-Base interactions energy: -659.969 where: short stacking energy: -302.494 Base-Backbone interact. energy: -1.749 local terms energy: -332.597904 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -69.700 flat angles P-C4'-P energy: -52.494 tors. eta vs tors. theta energy: -57.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1973.548020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.548020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.548020 (E_RNA) where: Base-Base interactions energy: -1422.331 where: short stacking energy: -645.114 Base-Backbone interact. energy: -2.377 local terms energy: -548.840028 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -90.177 flat angles C4'-P-C4' energy: -111.008 flat angles P-C4'-P energy: -79.656 tors. eta vs tors. theta energy: -171.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1861.096168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.096168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.096168 (E_RNA) where: Base-Base interactions energy: -1306.670 where: short stacking energy: -582.055 Base-Backbone interact. energy: -1.958 local terms energy: -552.468710 where: bonds (distance) C4'-P energy: -102.743 bonds (distance) P-C4' energy: -101.573 flat angles C4'-P-C4' energy: -113.742 flat angles P-C4'-P energy: -75.063 tors. eta vs tors. theta energy: -159.347 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: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1860.980671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.980671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.980671 (E_RNA) where: Base-Base interactions energy: -1315.148 where: short stacking energy: -592.431 Base-Backbone interact. energy: -1.982 local terms energy: -543.850926 where: bonds (distance) C4'-P energy: -86.400 bonds (distance) P-C4' energy: -103.812 flat angles C4'-P-C4' energy: -115.378 flat angles P-C4'-P energy: -75.493 tors. eta vs tors. theta energy: -162.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1765.852912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.852912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.852912 (E_RNA) where: Base-Base interactions energy: -1256.137 where: short stacking energy: -567.192 Base-Backbone interact. energy: -0.420 local terms energy: -509.296067 where: bonds (distance) C4'-P energy: -88.021 bonds (distance) P-C4' energy: -98.180 flat angles C4'-P-C4' energy: -102.995 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -146.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1751.211365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.211365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.211365 (E_RNA) where: Base-Base interactions energy: -1270.641 where: short stacking energy: -563.894 Base-Backbone interact. energy: -2.997 local terms energy: -477.573369 where: bonds (distance) C4'-P energy: -73.061 bonds (distance) P-C4' energy: -81.551 flat angles C4'-P-C4' energy: -96.905 flat angles P-C4'-P energy: -69.282 tors. eta vs tors. theta energy: -156.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1693.322957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.322957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.322957 (E_RNA) where: Base-Base interactions energy: -1208.796 where: short stacking energy: -547.383 Base-Backbone interact. energy: -2.428 local terms energy: -482.099137 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -100.739 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -145.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1609.664944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.664944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.664944 (E_RNA) where: Base-Base interactions energy: -1143.148 where: short stacking energy: -533.030 Base-Backbone interact. energy: 1.020 local terms energy: -467.537522 where: bonds (distance) C4'-P energy: -80.146 bonds (distance) P-C4' energy: -74.513 flat angles C4'-P-C4' energy: -90.130 flat angles P-C4'-P energy: -75.399 tors. eta vs tors. theta energy: -147.350 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: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1567.005057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.005057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.005057 (E_RNA) where: Base-Base interactions energy: -1099.526 where: short stacking energy: -498.082 Base-Backbone interact. energy: -1.524 local terms energy: -465.954317 where: bonds (distance) C4'-P energy: -78.243 bonds (distance) P-C4' energy: -85.482 flat angles C4'-P-C4' energy: -100.469 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: -133.628 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: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1532.397255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.397255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.397255 (E_RNA) where: Base-Base interactions energy: -1112.626 where: short stacking energy: -503.874 Base-Backbone interact. energy: -0.621 local terms energy: -419.149474 where: bonds (distance) C4'-P energy: -69.164 bonds (distance) P-C4' energy: -72.421 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -136.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1109.989813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.989813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.989813 (E_RNA) where: Base-Base interactions energy: -750.476 where: short stacking energy: -351.353 Base-Backbone interact. energy: -3.569 local terms energy: -355.944960 where: bonds (distance) C4'-P energy: -78.994 bonds (distance) P-C4' energy: -66.156 flat angles C4'-P-C4' energy: -83.359 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -78.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1978.421721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.421721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.421721 (E_RNA) where: Base-Base interactions energy: -1421.768 where: short stacking energy: -627.040 Base-Backbone interact. energy: -1.071 local terms energy: -555.582686 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -84.358 tors. eta vs tors. theta energy: -168.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1853.962779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.962779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.962779 (E_RNA) where: Base-Base interactions energy: -1328.403 where: short stacking energy: -605.537 Base-Backbone interact. energy: -1.807 local terms energy: -523.752471 where: bonds (distance) C4'-P energy: -92.451 bonds (distance) P-C4' energy: -85.062 flat angles C4'-P-C4' energy: -109.122 flat angles P-C4'-P energy: -81.261 tors. eta vs tors. theta energy: -155.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1870.702227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.702227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.702227 (E_RNA) where: Base-Base interactions energy: -1347.416 where: short stacking energy: -599.057 Base-Backbone interact. energy: -1.969 local terms energy: -521.317189 where: bonds (distance) C4'-P energy: -83.857 bonds (distance) P-C4' energy: -87.317 flat angles C4'-P-C4' energy: -109.284 flat angles P-C4'-P energy: -81.461 tors. eta vs tors. theta energy: -159.398 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: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1803.369367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.369367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.369367 (E_RNA) where: Base-Base interactions energy: -1289.996 where: short stacking energy: -570.224 Base-Backbone interact. energy: -3.032 local terms energy: -510.341278 where: bonds (distance) C4'-P energy: -88.462 bonds (distance) P-C4' energy: -89.889 flat angles C4'-P-C4' energy: -110.392 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -152.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1698.836379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.836379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.836379 (E_RNA) where: Base-Base interactions energy: -1210.470 where: short stacking energy: -543.396 Base-Backbone interact. energy: -2.298 local terms energy: -486.068883 where: bonds (distance) C4'-P energy: -68.712 bonds (distance) P-C4' energy: -99.935 flat angles C4'-P-C4' energy: -110.639 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -139.263 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: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1723.216132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.216132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.216132 (E_RNA) where: Base-Base interactions energy: -1261.390 where: short stacking energy: -550.486 Base-Backbone interact. energy: -1.328 local terms energy: -460.497421 where: bonds (distance) C4'-P energy: -73.007 bonds (distance) P-C4' energy: -88.091 flat angles C4'-P-C4' energy: -86.871 flat angles P-C4'-P energy: -69.207 tors. eta vs tors. theta energy: -143.321 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: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1588.176510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.176510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.176510 (E_RNA) where: Base-Base interactions energy: -1125.569 where: short stacking energy: -511.266 Base-Backbone interact. energy: 0.690 local terms energy: -463.296737 where: bonds (distance) C4'-P energy: -75.234 bonds (distance) P-C4' energy: -80.896 flat angles C4'-P-C4' energy: -108.364 flat angles P-C4'-P energy: -55.324 tors. eta vs tors. theta energy: -143.478 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: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1566.700233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.700233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.700233 (E_RNA) where: Base-Base interactions energy: -1141.638 where: short stacking energy: -520.863 Base-Backbone interact. energy: -0.921 local terms energy: -424.141154 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -71.521 flat angles C4'-P-C4' energy: -97.949 flat angles P-C4'-P energy: -47.461 tors. eta vs tors. theta energy: -142.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1505.612381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.612381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.612381 (E_RNA) where: Base-Base interactions energy: -1074.173 where: short stacking energy: -479.999 Base-Backbone interact. energy: -0.233 local terms energy: -431.205968 where: bonds (distance) C4'-P energy: -75.380 bonds (distance) P-C4' energy: -58.176 flat angles C4'-P-C4' energy: -101.434 flat angles P-C4'-P energy: -66.205 tors. eta vs tors. theta energy: -130.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1133.945978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.945978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.945978 (E_RNA) where: Base-Base interactions energy: -788.119 where: short stacking energy: -374.854 Base-Backbone interact. energy: -1.031 local terms energy: -344.795790 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -70.227 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -78.371 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: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1986.278602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.278602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.278602 (E_RNA) where: Base-Base interactions energy: -1421.491 where: short stacking energy: -651.999 Base-Backbone interact. energy: -1.825 local terms energy: -562.962334 where: bonds (distance) C4'-P energy: -102.196 bonds (distance) P-C4' energy: -97.460 flat angles C4'-P-C4' energy: -111.054 flat angles P-C4'-P energy: -76.065 tors. eta vs tors. theta energy: -176.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1844.164708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.164708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.164708 (E_RNA) where: Base-Base interactions energy: -1323.297 where: short stacking energy: -602.184 Base-Backbone interact. energy: 2.652 local terms energy: -523.520333 where: bonds (distance) C4'-P energy: -88.578 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -117.352 flat angles P-C4'-P energy: -69.331 tors. eta vs tors. theta energy: -157.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1829.451077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.451077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.451077 (E_RNA) where: Base-Base interactions energy: -1321.617 where: short stacking energy: -596.390 Base-Backbone interact. energy: -0.283 local terms energy: -507.551007 where: bonds (distance) C4'-P energy: -84.112 bonds (distance) P-C4' energy: -91.844 flat angles C4'-P-C4' energy: -102.351 flat angles P-C4'-P energy: -76.301 tors. eta vs tors. theta energy: -152.943 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: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1825.866554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.866554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.866554 (E_RNA) where: Base-Base interactions energy: -1305.437 where: short stacking energy: -581.361 Base-Backbone interact. energy: -0.379 local terms energy: -520.051172 where: bonds (distance) C4'-P energy: -95.128 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -105.757 flat angles P-C4'-P energy: -74.539 tors. eta vs tors. theta energy: -156.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1701.233454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.233454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.233454 (E_RNA) where: Base-Base interactions energy: -1228.347 where: short stacking energy: -548.069 Base-Backbone interact. energy: -1.424 local terms energy: -471.462607 where: bonds (distance) C4'-P energy: -89.133 bonds (distance) P-C4' energy: -81.823 flat angles C4'-P-C4' energy: -95.266 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -142.644 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: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1699.530170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.530170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.530170 (E_RNA) where: Base-Base interactions energy: -1234.155 where: short stacking energy: -533.991 Base-Backbone interact. energy: 0.040 local terms energy: -465.415270 where: bonds (distance) C4'-P energy: -67.490 bonds (distance) P-C4' energy: -78.018 flat angles C4'-P-C4' energy: -98.329 flat angles P-C4'-P energy: -67.095 tors. eta vs tors. theta energy: -154.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1598.410965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.410965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.410965 (E_RNA) where: Base-Base interactions energy: -1129.202 where: short stacking energy: -535.799 Base-Backbone interact. energy: -0.144 local terms energy: -469.064446 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -79.317 flat angles C4'-P-C4' energy: -100.826 flat angles P-C4'-P energy: -67.130 tors. eta vs tors. theta energy: -137.155 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: 343 Temperature: 1.250000 Total energy: -1511.966484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.966484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.966484 (E_RNA) where: Base-Base interactions energy: -1073.477 where: short stacking energy: -491.380 Base-Backbone interact. energy: -1.478 local terms energy: -437.011041 where: bonds (distance) C4'-P energy: -57.362 bonds (distance) P-C4' energy: -83.440 flat angles C4'-P-C4' energy: -98.432 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -138.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1538.256080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.256080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.256080 (E_RNA) where: Base-Base interactions energy: -1095.664 where: short stacking energy: -503.114 Base-Backbone interact. energy: 0.006 local terms energy: -442.598756 where: bonds (distance) C4'-P energy: -77.293 bonds (distance) P-C4' energy: -75.513 flat angles C4'-P-C4' energy: -93.081 flat angles P-C4'-P energy: -62.115 tors. eta vs tors. theta energy: -134.597 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: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1182.172759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.172759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.172759 (E_RNA) where: Base-Base interactions energy: -822.566 where: short stacking energy: -405.457 Base-Backbone interact. energy: -0.916 local terms energy: -358.691210 where: bonds (distance) C4'-P energy: -62.702 bonds (distance) P-C4' energy: -68.268 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -98.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1978.288495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.288495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.288495 (E_RNA) where: Base-Base interactions energy: -1412.710 where: short stacking energy: -646.561 Base-Backbone interact. energy: -0.380 local terms energy: -565.198702 where: bonds (distance) C4'-P energy: -84.150 bonds (distance) P-C4' energy: -103.438 flat angles C4'-P-C4' energy: -116.024 flat angles P-C4'-P energy: -88.632 tors. eta vs tors. theta energy: -172.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1860.101341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.101341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.101341 (E_RNA) where: Base-Base interactions energy: -1330.116 where: short stacking energy: -600.572 Base-Backbone interact. energy: -1.186 local terms energy: -528.799979 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -96.649 flat angles C4'-P-C4' energy: -102.806 flat angles P-C4'-P energy: -81.968 tors. eta vs tors. theta energy: -160.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1831.355619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.355619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.355619 (E_RNA) where: Base-Base interactions energy: -1311.987 where: short stacking energy: -581.599 Base-Backbone interact. energy: -1.059 local terms energy: -518.309848 where: bonds (distance) C4'-P energy: -88.075 bonds (distance) P-C4' energy: -83.270 flat angles C4'-P-C4' energy: -111.736 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -167.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1808.100815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.100815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.100815 (E_RNA) where: Base-Base interactions energy: -1294.865 where: short stacking energy: -592.413 Base-Backbone interact. energy: -3.634 local terms energy: -509.601596 where: bonds (distance) C4'-P energy: -82.387 bonds (distance) P-C4' energy: -101.237 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -69.011 tors. eta vs tors. theta energy: -152.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1722.955444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.955444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.955444 (E_RNA) where: Base-Base interactions energy: -1237.483 where: short stacking energy: -561.782 Base-Backbone interact. energy: -0.489 local terms energy: -484.983583 where: bonds (distance) C4'-P energy: -82.429 bonds (distance) P-C4' energy: -74.466 flat angles C4'-P-C4' energy: -107.752 flat angles P-C4'-P energy: -75.094 tors. eta vs tors. theta energy: -145.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1692.088494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.088494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.088494 (E_RNA) where: Base-Base interactions energy: -1214.368 where: short stacking energy: -571.204 Base-Backbone interact. energy: -0.404 local terms energy: -477.316321 where: bonds (distance) C4'-P energy: -79.344 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -62.878 tors. eta vs tors. theta energy: -148.508 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: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1558.880121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.880121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.880121 (E_RNA) where: Base-Base interactions energy: -1109.754 where: short stacking energy: -524.753 Base-Backbone interact. energy: -0.777 local terms energy: -448.349307 where: bonds (distance) C4'-P energy: -83.573 bonds (distance) P-C4' energy: -71.139 flat angles C4'-P-C4' energy: -105.877 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -135.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1554.482045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.482045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.482045 (E_RNA) where: Base-Base interactions energy: -1092.171 where: short stacking energy: -492.002 Base-Backbone interact. energy: -0.538 local terms energy: -461.772943 where: bonds (distance) C4'-P energy: -81.680 bonds (distance) P-C4' energy: -81.790 flat angles C4'-P-C4' energy: -96.869 flat angles P-C4'-P energy: -69.769 tors. eta vs tors. theta energy: -131.666 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: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1522.808480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.808480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.808480 (E_RNA) where: Base-Base interactions energy: -1091.817 where: short stacking energy: -503.178 Base-Backbone interact. energy: 0.258 local terms energy: -431.250284 where: bonds (distance) C4'-P energy: -76.169 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -103.753 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -135.637 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: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1193.866158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.866158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.866158 (E_RNA) where: Base-Base interactions energy: -820.153 where: short stacking energy: -399.917 Base-Backbone interact. energy: -1.913 local terms energy: -371.800203 where: bonds (distance) C4'-P energy: -79.752 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -95.713 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -93.820 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: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1957.079396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.079396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.079396 (E_RNA) where: Base-Base interactions energy: -1421.714 where: short stacking energy: -639.096 Base-Backbone interact. energy: -1.036 local terms energy: -534.330029 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -93.729 flat angles C4'-P-C4' energy: -112.437 flat angles P-C4'-P energy: -66.206 tors. eta vs tors. theta energy: -167.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1863.749006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.749006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.749006 (E_RNA) where: Base-Base interactions energy: -1326.221 where: short stacking energy: -599.173 Base-Backbone interact. energy: -1.536 local terms energy: -535.991697 where: bonds (distance) C4'-P energy: -91.062 bonds (distance) P-C4' energy: -92.395 flat angles C4'-P-C4' energy: -112.754 flat angles P-C4'-P energy: -79.851 tors. eta vs tors. theta energy: -159.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1845.225549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.225549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.225549 (E_RNA) where: Base-Base interactions energy: -1322.050 where: short stacking energy: -591.126 Base-Backbone interact. energy: -2.270 local terms energy: -520.905635 where: bonds (distance) C4'-P energy: -91.307 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -109.751 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -159.735 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: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1781.577127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.577127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.577127 (E_RNA) where: Base-Base interactions energy: -1258.779 where: short stacking energy: -558.428 Base-Backbone interact. energy: -0.778 local terms energy: -522.020022 where: bonds (distance) C4'-P energy: -92.147 bonds (distance) P-C4' energy: -96.447 flat angles C4'-P-C4' energy: -105.031 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -153.329 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: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1726.315610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.315610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.315610 (E_RNA) where: Base-Base interactions energy: -1222.768 where: short stacking energy: -556.747 Base-Backbone interact. energy: 0.310 local terms energy: -503.857635 where: bonds (distance) C4'-P energy: -84.487 bonds (distance) P-C4' energy: -92.260 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -151.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1619.093382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.093382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.093382 (E_RNA) where: Base-Base interactions energy: -1157.870 where: short stacking energy: -526.327 Base-Backbone interact. energy: -2.114 local terms energy: -459.109086 where: bonds (distance) C4'-P energy: -69.507 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -95.862 flat angles P-C4'-P energy: -64.071 tors. eta vs tors. theta energy: -139.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1645.962374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.962374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.962374 (E_RNA) where: Base-Base interactions energy: -1190.430 where: short stacking energy: -556.424 Base-Backbone interact. energy: -2.328 local terms energy: -453.204230 where: bonds (distance) C4'-P energy: -75.881 bonds (distance) P-C4' energy: -68.541 flat angles C4'-P-C4' energy: -94.007 flat angles P-C4'-P energy: -58.257 tors. eta vs tors. theta energy: -156.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1555.310118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.310118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.310118 (E_RNA) where: Base-Base interactions energy: -1119.255 where: short stacking energy: -521.430 Base-Backbone interact. energy: 4.626 local terms energy: -440.680917 where: bonds (distance) C4'-P energy: -65.955 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -99.607 flat angles P-C4'-P energy: -53.013 tors. eta vs tors. theta energy: -137.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1493.363219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.363219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.363219 (E_RNA) where: Base-Base interactions energy: -1067.612 where: short stacking energy: -467.696 Base-Backbone interact. energy: -0.811 local terms energy: -424.940339 where: bonds (distance) C4'-P energy: -72.389 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -65.555 tors. eta vs tors. theta energy: -120.467 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: 345 Temperature: 1.350000 Total energy: -1088.364933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.364933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.364933 (E_RNA) where: Base-Base interactions energy: -720.555 where: short stacking energy: -341.237 Base-Backbone interact. energy: -0.075 local terms energy: -367.734800 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -81.540 flat angles C4'-P-C4' energy: -76.175 flat angles P-C4'-P energy: -61.170 tors. eta vs tors. theta energy: -77.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1978.728267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.728267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.728267 (E_RNA) where: Base-Base interactions energy: -1424.906 where: short stacking energy: -631.390 Base-Backbone interact. energy: 0.852 local terms energy: -554.674780 where: bonds (distance) C4'-P energy: -91.169 bonds (distance) P-C4' energy: -98.869 flat angles C4'-P-C4' energy: -120.539 flat angles P-C4'-P energy: -75.950 tors. eta vs tors. theta energy: -168.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1881.414495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.414495 (E_RNA) where: Base-Base interactions energy: -1340.572 where: short stacking energy: -605.789 Base-Backbone interact. energy: -2.483 local terms energy: -538.359029 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -98.153 flat angles C4'-P-C4' energy: -107.279 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -158.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1819.165979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.165979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.165979 (E_RNA) where: Base-Base interactions energy: -1324.888 where: short stacking energy: -583.460 Base-Backbone interact. energy: -1.641 local terms energy: -492.637477 where: bonds (distance) C4'-P energy: -79.144 bonds (distance) P-C4' energy: -80.557 flat angles C4'-P-C4' energy: -108.053 flat angles P-C4'-P energy: -65.734 tors. eta vs tors. theta energy: -159.149 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: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1801.444524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.444524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.444524 (E_RNA) where: Base-Base interactions energy: -1288.990 where: short stacking energy: -580.423 Base-Backbone interact. energy: -5.403 local terms energy: -507.052136 where: bonds (distance) C4'-P energy: -95.595 bonds (distance) P-C4' energy: -83.441 flat angles C4'-P-C4' energy: -112.876 flat angles P-C4'-P energy: -63.550 tors. eta vs tors. theta energy: -151.590 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: 346 Temperature: 1.100000 Total energy: -1715.155038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.155038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.155038 (E_RNA) where: Base-Base interactions energy: -1239.122 where: short stacking energy: -566.483 Base-Backbone interact. energy: -1.709 local terms energy: -474.324234 where: bonds (distance) C4'-P energy: -77.613 bonds (distance) P-C4' energy: -88.098 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -63.825 tors. eta vs tors. theta energy: -155.272 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: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1658.169770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.169770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.169770 (E_RNA) where: Base-Base interactions energy: -1180.043 where: short stacking energy: -537.975 Base-Backbone interact. energy: -2.170 local terms energy: -475.957342 where: bonds (distance) C4'-P energy: -79.539 bonds (distance) P-C4' energy: -91.783 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -148.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1595.780163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.780163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.780163 (E_RNA) where: Base-Base interactions energy: -1126.089 where: short stacking energy: -546.032 Base-Backbone interact. energy: -1.451 local terms energy: -468.239957 where: bonds (distance) C4'-P energy: -74.819 bonds (distance) P-C4' energy: -80.391 flat angles C4'-P-C4' energy: -110.900 flat angles P-C4'-P energy: -60.258 tors. eta vs tors. theta energy: -141.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1614.850054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.850054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.850054 (E_RNA) where: Base-Base interactions energy: -1175.811 where: short stacking energy: -545.299 Base-Backbone interact. energy: -0.395 local terms energy: -438.643644 where: bonds (distance) C4'-P energy: -75.632 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -88.190 flat angles P-C4'-P energy: -56.985 tors. eta vs tors. theta energy: -142.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1455.163317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.163317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.163317 (E_RNA) where: Base-Base interactions energy: -1036.721 where: short stacking energy: -491.598 Base-Backbone interact. energy: -1.201 local terms energy: -417.242109 where: bonds (distance) C4'-P energy: -72.275 bonds (distance) P-C4' energy: -72.310 flat angles C4'-P-C4' energy: -93.562 flat angles P-C4'-P energy: -60.033 tors. eta vs tors. theta energy: -119.063 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: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -937.082158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.082158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.082158 (E_RNA) where: Base-Base interactions energy: -608.788 where: short stacking energy: -289.349 Base-Backbone interact. energy: -2.292 local terms energy: -326.002267 where: bonds (distance) C4'-P energy: -67.303 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: -45.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1959.090033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.090033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.090033 (E_RNA) where: Base-Base interactions energy: -1412.354 where: short stacking energy: -651.739 Base-Backbone interact. energy: -1.581 local terms energy: -545.154650 where: bonds (distance) C4'-P energy: -90.643 bonds (distance) P-C4' energy: -88.850 flat angles C4'-P-C4' energy: -112.727 flat angles P-C4'-P energy: -87.622 tors. eta vs tors. theta energy: -165.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1862.378653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.378653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.378653 (E_RNA) where: Base-Base interactions energy: -1343.572 where: short stacking energy: -619.453 Base-Backbone interact. energy: -1.134 local terms energy: -517.672765 where: bonds (distance) C4'-P energy: -98.841 bonds (distance) P-C4' energy: -82.256 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -67.269 tors. eta vs tors. theta energy: -155.972 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: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1833.125544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.125544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.125544 (E_RNA) where: Base-Base interactions energy: -1327.443 where: short stacking energy: -598.479 Base-Backbone interact. energy: -4.109 local terms energy: -501.572956 where: bonds (distance) C4'-P energy: -81.979 bonds (distance) P-C4' energy: -87.197 flat angles C4'-P-C4' energy: -101.924 flat angles P-C4'-P energy: -66.508 tors. eta vs tors. theta energy: -163.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1793.536239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.536239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.536239 (E_RNA) where: Base-Base interactions energy: -1289.771 where: short stacking energy: -567.114 Base-Backbone interact. energy: 0.167 local terms energy: -503.933198 where: bonds (distance) C4'-P energy: -94.540 bonds (distance) P-C4' energy: -93.354 flat angles C4'-P-C4' energy: -105.475 flat angles P-C4'-P energy: -59.378 tors. eta vs tors. theta energy: -151.187 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: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1714.684724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.684724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.684724 (E_RNA) where: Base-Base interactions energy: -1227.411 where: short stacking energy: -580.764 Base-Backbone interact. energy: 0.631 local terms energy: -487.904122 where: bonds (distance) C4'-P energy: -83.330 bonds (distance) P-C4' energy: -85.080 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -71.048 tors. eta vs tors. theta energy: -145.655 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: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1642.626681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.626681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.626681 (E_RNA) where: Base-Base interactions energy: -1166.481 where: short stacking energy: -534.597 Base-Backbone interact. energy: -2.785 local terms energy: -473.360375 where: bonds (distance) C4'-P energy: -71.445 bonds (distance) P-C4' energy: -95.790 flat angles C4'-P-C4' energy: -98.563 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -138.349 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: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1604.709966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.709966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.709966 (E_RNA) where: Base-Base interactions energy: -1152.107 where: short stacking energy: -512.323 Base-Backbone interact. energy: -2.596 local terms energy: -450.006677 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -79.974 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -131.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1590.949593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.949593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.949593 (E_RNA) where: Base-Base interactions energy: -1155.273 where: short stacking energy: -519.824 Base-Backbone interact. energy: -1.842 local terms energy: -433.834553 where: bonds (distance) C4'-P energy: -74.531 bonds (distance) P-C4' energy: -73.910 flat angles C4'-P-C4' energy: -89.121 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -136.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1493.802118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.802118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.802118 (E_RNA) where: Base-Base interactions energy: -1065.537 where: short stacking energy: -476.923 Base-Backbone interact. energy: -1.330 local terms energy: -426.935071 where: bonds (distance) C4'-P energy: -68.662 bonds (distance) P-C4' energy: -81.967 flat angles C4'-P-C4' energy: -89.053 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: -125.479 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: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1028.591632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.591632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.591632 (E_RNA) where: Base-Base interactions energy: -684.560 where: short stacking energy: -344.696 Base-Backbone interact. energy: 1.629 local terms energy: -345.661214 where: bonds (distance) C4'-P energy: -65.274 bonds (distance) P-C4' energy: -74.811 flat angles C4'-P-C4' energy: -82.182 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -68.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1960.070328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.070328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.070328 (E_RNA) where: Base-Base interactions energy: -1419.644 where: short stacking energy: -646.543 Base-Backbone interact. energy: -0.576 local terms energy: -539.850479 where: bonds (distance) C4'-P energy: -93.530 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -105.059 flat angles P-C4'-P energy: -85.399 tors. eta vs tors. theta energy: -170.425 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: 348 Temperature: 0.950000 Total energy: -1874.862113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.862113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.862113 (E_RNA) where: Base-Base interactions energy: -1345.643 where: short stacking energy: -608.975 Base-Backbone interact. energy: -0.382 local terms energy: -528.836698 where: bonds (distance) C4'-P energy: -92.110 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -110.774 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -162.714 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1819.730915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.730915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.730915 (E_RNA) where: Base-Base interactions energy: -1310.429 where: short stacking energy: -574.681 Base-Backbone interact. energy: -1.057 local terms energy: -508.244214 where: bonds (distance) C4'-P energy: -95.293 bonds (distance) P-C4' energy: -91.359 flat angles C4'-P-C4' energy: -103.735 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -152.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1788.426233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.426233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.426233 (E_RNA) where: Base-Base interactions energy: -1296.811 where: short stacking energy: -579.220 Base-Backbone interact. energy: -0.106 local terms energy: -491.508590 where: bonds (distance) C4'-P energy: -78.933 bonds (distance) P-C4' energy: -79.579 flat angles C4'-P-C4' energy: -102.434 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -158.130 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: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1743.632048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.632048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.632048 (E_RNA) where: Base-Base interactions energy: -1242.702 where: short stacking energy: -562.015 Base-Backbone interact. energy: -0.868 local terms energy: -500.061926 where: bonds (distance) C4'-P energy: -73.686 bonds (distance) P-C4' energy: -93.145 flat angles C4'-P-C4' energy: -106.304 flat angles P-C4'-P energy: -72.185 tors. eta vs tors. theta energy: -154.741 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: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1615.805801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.805801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.805801 (E_RNA) where: Base-Base interactions energy: -1167.686 where: short stacking energy: -531.850 Base-Backbone interact. energy: -1.217 local terms energy: -446.903308 where: bonds (distance) C4'-P energy: -63.402 bonds (distance) P-C4' energy: -82.085 flat angles C4'-P-C4' energy: -93.140 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -142.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1613.185085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.185085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.185085 (E_RNA) where: Base-Base interactions energy: -1161.223 where: short stacking energy: -542.211 Base-Backbone interact. energy: -0.858 local terms energy: -451.104833 where: bonds (distance) C4'-P energy: -68.587 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -96.904 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -140.137 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: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1546.882560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.882560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.882560 (E_RNA) where: Base-Base interactions energy: -1115.713 where: short stacking energy: -513.867 Base-Backbone interact. energy: -0.630 local terms energy: -430.539316 where: bonds (distance) C4'-P energy: -52.557 bonds (distance) P-C4' energy: -72.524 flat angles C4'-P-C4' energy: -99.270 flat angles P-C4'-P energy: -66.739 tors. eta vs tors. theta energy: -139.449 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: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1485.765007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.765007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.765007 (E_RNA) where: Base-Base interactions energy: -1046.990 where: short stacking energy: -482.278 Base-Backbone interact. energy: -3.586 local terms energy: -435.188775 where: bonds (distance) C4'-P energy: -70.004 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -99.841 flat angles P-C4'-P energy: -59.952 tors. eta vs tors. theta energy: -139.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1008.051789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.051789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.051789 (E_RNA) where: Base-Base interactions energy: -670.516 where: short stacking energy: -314.786 Base-Backbone interact. energy: -1.384 local terms energy: -336.151753 where: bonds (distance) C4'-P energy: -81.991 bonds (distance) P-C4' energy: -81.476 flat angles C4'-P-C4' energy: -79.340 flat angles P-C4'-P energy: -25.903 tors. eta vs tors. theta energy: -67.441 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: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1979.627617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.627617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.627617 (E_RNA) where: Base-Base interactions energy: -1429.236 where: short stacking energy: -644.521 Base-Backbone interact. energy: -3.093 local terms energy: -547.298407 where: bonds (distance) C4'-P energy: -80.263 bonds (distance) P-C4' energy: -94.437 flat angles C4'-P-C4' energy: -117.807 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -174.767 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: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1862.910990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.910990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.910990 (E_RNA) where: Base-Base interactions energy: -1337.618 where: short stacking energy: -619.205 Base-Backbone interact. energy: -2.297 local terms energy: -522.995790 where: bonds (distance) C4'-P energy: -102.154 bonds (distance) P-C4' energy: -85.751 flat angles C4'-P-C4' energy: -110.350 flat angles P-C4'-P energy: -68.998 tors. eta vs tors. theta energy: -155.742 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: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1835.836094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.836094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.836094 (E_RNA) where: Base-Base interactions energy: -1303.899 where: short stacking energy: -577.905 Base-Backbone interact. energy: -1.992 local terms energy: -529.945719 where: bonds (distance) C4'-P energy: -97.356 bonds (distance) P-C4' energy: -96.484 flat angles C4'-P-C4' energy: -106.043 flat angles P-C4'-P energy: -70.137 tors. eta vs tors. theta energy: -159.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1789.493512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.493512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.493512 (E_RNA) where: Base-Base interactions energy: -1273.014 where: short stacking energy: -577.605 Base-Backbone interact. energy: -1.271 local terms energy: -515.208829 where: bonds (distance) C4'-P energy: -77.210 bonds (distance) P-C4' energy: -86.654 flat angles C4'-P-C4' energy: -114.743 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -159.399 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: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1737.267534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.267534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.267534 (E_RNA) where: Base-Base interactions energy: -1253.240 where: short stacking energy: -552.033 Base-Backbone interact. energy: 2.590 local terms energy: -486.617480 where: bonds (distance) C4'-P energy: -77.026 bonds (distance) P-C4' energy: -85.756 flat angles C4'-P-C4' energy: -103.592 flat angles P-C4'-P energy: -69.266 tors. eta vs tors. theta energy: -150.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1603.721917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.721917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.721917 (E_RNA) where: Base-Base interactions energy: -1149.192 where: short stacking energy: -515.614 Base-Backbone interact. energy: -0.024 local terms energy: -454.506262 where: bonds (distance) C4'-P energy: -71.523 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -98.741 flat angles P-C4'-P energy: -61.418 tors. eta vs tors. theta energy: -143.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1611.104164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.104164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.104164 (E_RNA) where: Base-Base interactions energy: -1165.018 where: short stacking energy: -533.295 Base-Backbone interact. energy: -0.929 local terms energy: -445.157057 where: bonds (distance) C4'-P energy: -80.685 bonds (distance) P-C4' energy: -72.574 flat angles C4'-P-C4' energy: -99.888 flat angles P-C4'-P energy: -50.334 tors. eta vs tors. theta energy: -141.675 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1514.309997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.309997 (E_RNA) where: Base-Base interactions energy: -1089.503 where: short stacking energy: -522.855 Base-Backbone interact. energy: -0.537 local terms energy: -424.270444 where: bonds (distance) C4'-P energy: -74.339 bonds (distance) P-C4' energy: -57.161 flat angles C4'-P-C4' energy: -91.794 flat angles P-C4'-P energy: -67.749 tors. eta vs tors. theta energy: -133.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1503.962648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.962648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.962648 (E_RNA) where: Base-Base interactions energy: -1089.042 where: short stacking energy: -517.187 Base-Backbone interact. energy: -1.532 local terms energy: -413.389582 where: bonds (distance) C4'-P energy: -58.610 bonds (distance) P-C4' energy: -71.940 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -58.111 tors. eta vs tors. theta energy: -130.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -968.072470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.072470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.072470 (E_RNA) where: Base-Base interactions energy: -619.849 where: short stacking energy: -310.084 Base-Backbone interact. energy: -3.573 local terms energy: -344.650877 where: bonds (distance) C4'-P energy: -69.385 bonds (distance) P-C4' energy: -84.468 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -60.880 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: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1960.632709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.632709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.632709 (E_RNA) where: Base-Base interactions energy: -1412.724 where: short stacking energy: -631.350 Base-Backbone interact. energy: -0.096 local terms energy: -547.812871 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -90.509 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -79.414 tors. eta vs tors. theta energy: -175.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1867.980030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.980030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.980030 (E_RNA) where: Base-Base interactions energy: -1354.307 where: short stacking energy: -614.339 Base-Backbone interact. energy: 1.521 local terms energy: -515.193898 where: bonds (distance) C4'-P energy: -94.616 bonds (distance) P-C4' energy: -83.327 flat angles C4'-P-C4' energy: -106.717 flat angles P-C4'-P energy: -68.987 tors. eta vs tors. theta energy: -161.546 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: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1817.255879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.255879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.255879 (E_RNA) where: Base-Base interactions energy: -1312.342 where: short stacking energy: -608.281 Base-Backbone interact. energy: -1.295 local terms energy: -503.618847 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -87.656 flat angles C4'-P-C4' energy: -108.393 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -156.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1797.535440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.535440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.535440 (E_RNA) where: Base-Base interactions energy: -1284.849 where: short stacking energy: -576.382 Base-Backbone interact. energy: -2.648 local terms energy: -510.038712 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -87.600 flat angles C4'-P-C4' energy: -111.123 flat angles P-C4'-P energy: -67.872 tors. eta vs tors. theta energy: -152.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1742.581525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.581525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.581525 (E_RNA) where: Base-Base interactions energy: -1264.212 where: short stacking energy: -581.127 Base-Backbone interact. energy: 3.428 local terms energy: -481.797502 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -84.433 flat angles C4'-P-C4' energy: -104.982 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -151.180 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: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1620.600542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.600542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.600542 (E_RNA) where: Base-Base interactions energy: -1146.040 where: short stacking energy: -515.998 Base-Backbone interact. energy: -2.801 local terms energy: -471.759295 where: bonds (distance) C4'-P energy: -84.974 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -94.868 flat angles P-C4'-P energy: -60.166 tors. eta vs tors. theta energy: -139.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1649.950828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.950828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.950828 (E_RNA) where: Base-Base interactions energy: -1187.861 where: short stacking energy: -539.650 Base-Backbone interact. energy: -4.814 local terms energy: -457.275942 where: bonds (distance) C4'-P energy: -85.233 bonds (distance) P-C4' energy: -78.038 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -60.323 tors. eta vs tors. theta energy: -141.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1499.032898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.032898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.032898 (E_RNA) where: Base-Base interactions energy: -1063.486 where: short stacking energy: -490.591 Base-Backbone interact. energy: -1.840 local terms energy: -433.706112 where: bonds (distance) C4'-P energy: -82.781 bonds (distance) P-C4' energy: -71.372 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -45.385 tors. eta vs tors. theta energy: -132.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1487.501930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.501930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.501930 (E_RNA) where: Base-Base interactions energy: -1060.329 where: short stacking energy: -482.118 Base-Backbone interact. energy: -1.435 local terms energy: -425.738017 where: bonds (distance) C4'-P energy: -68.972 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -100.019 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -140.676 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: 350 Temperature: 1.350000 Total energy: -1042.988307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.988307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.988307 (E_RNA) where: Base-Base interactions energy: -702.964 where: short stacking energy: -349.096 Base-Backbone interact. energy: -2.011 local terms energy: -338.013365 where: bonds (distance) C4'-P energy: -66.088 bonds (distance) P-C4' energy: -73.881 flat angles C4'-P-C4' energy: -78.971 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -78.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1973.165456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.165456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.165456 (E_RNA) where: Base-Base interactions energy: -1428.018 where: short stacking energy: -642.047 Base-Backbone interact. energy: -3.322 local terms energy: -541.825008 where: bonds (distance) C4'-P energy: -84.753 bonds (distance) P-C4' energy: -102.072 flat angles C4'-P-C4' energy: -109.859 flat angles P-C4'-P energy: -74.333 tors. eta vs tors. theta energy: -170.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1883.947423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.947423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.947423 (E_RNA) where: Base-Base interactions energy: -1349.995 where: short stacking energy: -619.645 Base-Backbone interact. energy: 0.345 local terms energy: -534.297205 where: bonds (distance) C4'-P energy: -96.296 bonds (distance) P-C4' energy: -98.032 flat angles C4'-P-C4' energy: -113.196 flat angles P-C4'-P energy: -66.429 tors. eta vs tors. theta energy: -160.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1796.287505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.287505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.287505 (E_RNA) where: Base-Base interactions energy: -1272.871 where: short stacking energy: -553.070 Base-Backbone interact. energy: -2.511 local terms energy: -520.904817 where: bonds (distance) C4'-P energy: -94.984 bonds (distance) P-C4' energy: -94.602 flat angles C4'-P-C4' energy: -115.015 flat angles P-C4'-P energy: -66.494 tors. eta vs tors. theta energy: -149.810 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: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1802.568162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.568162 (E_RNA) where: Base-Base interactions energy: -1303.142 where: short stacking energy: -570.484 Base-Backbone interact. energy: -3.072 local terms energy: -496.354351 where: bonds (distance) C4'-P energy: -72.708 bonds (distance) P-C4' energy: -90.711 flat angles C4'-P-C4' energy: -109.887 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: -152.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1743.479235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.479235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.479235 (E_RNA) where: Base-Base interactions energy: -1266.366 where: short stacking energy: -586.167 Base-Backbone interact. energy: -4.185 local terms energy: -472.928022 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -83.384 flat angles C4'-P-C4' energy: -101.172 flat angles P-C4'-P energy: -65.198 tors. eta vs tors. theta energy: -147.408 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: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1676.300056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.300056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.300056 (E_RNA) where: Base-Base interactions energy: -1198.097 where: short stacking energy: -541.204 Base-Backbone interact. energy: -1.552 local terms energy: -476.651026 where: bonds (distance) C4'-P energy: -78.463 bonds (distance) P-C4' energy: -78.236 flat angles C4'-P-C4' energy: -98.596 flat angles P-C4'-P energy: -71.723 tors. eta vs tors. theta energy: -149.632 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: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1599.326592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.326592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.326592 (E_RNA) where: Base-Base interactions energy: -1143.920 where: short stacking energy: -509.175 Base-Backbone interact. energy: -3.687 local terms energy: -451.719574 where: bonds (distance) C4'-P energy: -88.014 bonds (distance) P-C4' energy: -82.658 flat angles C4'-P-C4' energy: -90.748 flat angles P-C4'-P energy: -48.955 tors. eta vs tors. theta energy: -141.345 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: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1529.946236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.946236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.946236 (E_RNA) where: Base-Base interactions energy: -1077.105 where: short stacking energy: -501.711 Base-Backbone interact. energy: -1.253 local terms energy: -451.588265 where: bonds (distance) C4'-P energy: -79.102 bonds (distance) P-C4' energy: -83.182 flat angles C4'-P-C4' energy: -94.224 flat angles P-C4'-P energy: -66.060 tors. eta vs tors. theta energy: -129.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1500.624536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.624536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.624536 (E_RNA) where: Base-Base interactions energy: -1058.687 where: short stacking energy: -508.444 Base-Backbone interact. energy: -0.624 local terms energy: -441.313236 where: bonds (distance) C4'-P energy: -67.696 bonds (distance) P-C4' energy: -79.436 flat angles C4'-P-C4' energy: -99.111 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -139.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -986.879026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.879026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.879026 (E_RNA) where: Base-Base interactions energy: -651.216 where: short stacking energy: -325.478 Base-Backbone interact. energy: -2.015 local terms energy: -333.648803 where: bonds (distance) C4'-P energy: -80.020 bonds (distance) P-C4' energy: -62.253 flat angles C4'-P-C4' energy: -81.890 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -66.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1967.762694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.762694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.762694 (E_RNA) where: Base-Base interactions energy: -1414.864 where: short stacking energy: -645.608 Base-Backbone interact. energy: -1.656 local terms energy: -551.242373 where: bonds (distance) C4'-P energy: -100.860 bonds (distance) P-C4' energy: -96.610 flat angles C4'-P-C4' energy: -111.416 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -164.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1878.363553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.363553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.363553 (E_RNA) where: Base-Base interactions energy: -1341.244 where: short stacking energy: -626.501 Base-Backbone interact. energy: -1.415 local terms energy: -535.704970 where: bonds (distance) C4'-P energy: -91.896 bonds (distance) P-C4' energy: -92.312 flat angles C4'-P-C4' energy: -109.771 flat angles P-C4'-P energy: -76.989 tors. eta vs tors. theta energy: -164.737 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: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1817.779188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.779188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.779188 (E_RNA) where: Base-Base interactions energy: -1314.006 where: short stacking energy: -606.911 Base-Backbone interact. energy: -2.496 local terms energy: -501.277747 where: bonds (distance) C4'-P energy: -86.719 bonds (distance) P-C4' energy: -89.257 flat angles C4'-P-C4' energy: -115.961 flat angles P-C4'-P energy: -58.886 tors. eta vs tors. theta energy: -150.456 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1774.874656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.874656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.874656 (E_RNA) where: Base-Base interactions energy: -1275.788 where: short stacking energy: -558.266 Base-Backbone interact. energy: -2.477 local terms energy: -496.610375 where: bonds (distance) C4'-P energy: -92.031 bonds (distance) P-C4' energy: -78.133 flat angles C4'-P-C4' energy: -106.001 flat angles P-C4'-P energy: -70.216 tors. eta vs tors. theta energy: -150.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1741.314115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.314115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.314115 (E_RNA) where: Base-Base interactions energy: -1257.069 where: short stacking energy: -552.436 Base-Backbone interact. energy: -2.140 local terms energy: -482.104573 where: bonds (distance) C4'-P energy: -84.885 bonds (distance) P-C4' energy: -74.379 flat angles C4'-P-C4' energy: -111.349 flat angles P-C4'-P energy: -61.581 tors. eta vs tors. theta energy: -149.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1663.582423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.582423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.582423 (E_RNA) where: Base-Base interactions energy: -1199.998 where: short stacking energy: -540.076 Base-Backbone interact. energy: 1.443 local terms energy: -465.026734 where: bonds (distance) C4'-P energy: -72.549 bonds (distance) P-C4' energy: -90.556 flat angles C4'-P-C4' energy: -102.239 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -141.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1560.137859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.137859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.137859 (E_RNA) where: Base-Base interactions energy: -1084.223 where: short stacking energy: -490.759 Base-Backbone interact. energy: -2.176 local terms energy: -473.738227 where: bonds (distance) C4'-P energy: -85.142 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -101.254 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -131.093 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: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1580.864526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.864526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.864526 (E_RNA) where: Base-Base interactions energy: -1124.698 where: short stacking energy: -502.785 Base-Backbone interact. energy: 0.155 local terms energy: -456.321021 where: bonds (distance) C4'-P energy: -66.166 bonds (distance) P-C4' energy: -94.188 flat angles C4'-P-C4' energy: -96.690 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -142.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1515.869559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.869559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.869559 (E_RNA) where: Base-Base interactions energy: -1113.094 where: short stacking energy: -479.363 Base-Backbone interact. energy: 0.426 local terms energy: -403.202090 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -63.777 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -131.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1041.427807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.427807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.427807 (E_RNA) where: Base-Base interactions energy: -682.448 where: short stacking energy: -333.738 Base-Backbone interact. energy: -1.048 local terms energy: -357.932438 where: bonds (distance) C4'-P energy: -55.047 bonds (distance) P-C4' energy: -87.168 flat angles C4'-P-C4' energy: -85.746 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -69.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1979.227474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.227474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.227474 (E_RNA) where: Base-Base interactions energy: -1426.104 where: short stacking energy: -643.281 Base-Backbone interact. energy: -2.763 local terms energy: -550.360319 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -105.934 flat angles C4'-P-C4' energy: -110.762 flat angles P-C4'-P energy: -79.142 tors. eta vs tors. theta energy: -170.332 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: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1869.273227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.273227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.273227 (E_RNA) where: Base-Base interactions energy: -1349.001 where: short stacking energy: -597.876 Base-Backbone interact. energy: -3.394 local terms energy: -516.878556 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -96.030 flat angles C4'-P-C4' energy: -106.807 flat angles P-C4'-P energy: -71.759 tors. eta vs tors. theta energy: -162.936 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: 353 Temperature: 1.000000 Total energy: -1827.174077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.174077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.174077 (E_RNA) where: Base-Base interactions energy: -1332.043 where: short stacking energy: -581.442 Base-Backbone interact. energy: -3.283 local terms energy: -491.848039 where: bonds (distance) C4'-P energy: -75.793 bonds (distance) P-C4' energy: -88.901 flat angles C4'-P-C4' energy: -107.000 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -154.886 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: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1794.627287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.627287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.627287 (E_RNA) where: Base-Base interactions energy: -1292.544 where: short stacking energy: -585.751 Base-Backbone interact. energy: -1.452 local terms energy: -500.631408 where: bonds (distance) C4'-P energy: -88.378 bonds (distance) P-C4' energy: -82.276 flat angles C4'-P-C4' energy: -97.972 flat angles P-C4'-P energy: -78.621 tors. eta vs tors. theta energy: -153.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1736.764789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.764789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.764789 (E_RNA) where: Base-Base interactions energy: -1238.182 where: short stacking energy: -559.352 Base-Backbone interact. energy: -2.999 local terms energy: -495.584587 where: bonds (distance) C4'-P energy: -87.836 bonds (distance) P-C4' energy: -78.211 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -150.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1688.789518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.789518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.789518 (E_RNA) where: Base-Base interactions energy: -1204.770 where: short stacking energy: -546.205 Base-Backbone interact. energy: -2.691 local terms energy: -481.327980 where: bonds (distance) C4'-P energy: -95.910 bonds (distance) P-C4' energy: -75.116 flat angles C4'-P-C4' energy: -95.099 flat angles P-C4'-P energy: -66.305 tors. eta vs tors. theta energy: -148.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1541.288996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.288996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.288996 (E_RNA) where: Base-Base interactions energy: -1085.281 where: short stacking energy: -491.337 Base-Backbone interact. energy: 1.357 local terms energy: -457.365046 where: bonds (distance) C4'-P energy: -89.046 bonds (distance) P-C4' energy: -72.606 flat angles C4'-P-C4' energy: -94.076 flat angles P-C4'-P energy: -67.064 tors. eta vs tors. theta energy: -134.573 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: 353 Temperature: 1.250000 Total energy: -1554.872934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.872934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.872934 (E_RNA) where: Base-Base interactions energy: -1132.296 where: short stacking energy: -500.409 Base-Backbone interact. energy: -3.587 local terms energy: -418.989855 where: bonds (distance) C4'-P energy: -77.415 bonds (distance) P-C4' energy: -66.606 flat angles C4'-P-C4' energy: -86.938 flat angles P-C4'-P energy: -57.629 tors. eta vs tors. theta energy: -130.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1501.144002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.144002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.144002 (E_RNA) where: Base-Base interactions energy: -1086.909 where: short stacking energy: -505.261 Base-Backbone interact. energy: -0.315 local terms energy: -413.919401 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -87.964 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -137.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1038.126200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.126200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.126200 (E_RNA) where: Base-Base interactions energy: -704.992 where: short stacking energy: -356.094 Base-Backbone interact. energy: 2.484 local terms energy: -335.618822 where: bonds (distance) C4'-P energy: -62.926 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -83.689 flat angles P-C4'-P energy: -52.290 tors. eta vs tors. theta energy: -69.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1975.995638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.995638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.995638 (E_RNA) where: Base-Base interactions energy: -1440.128 where: short stacking energy: -652.350 Base-Backbone interact. energy: -1.601 local terms energy: -534.266071 where: bonds (distance) C4'-P energy: -90.344 bonds (distance) P-C4' energy: -88.706 flat angles C4'-P-C4' energy: -110.080 flat angles P-C4'-P energy: -77.435 tors. eta vs tors. theta energy: -167.701 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: 2, replica: 7 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1871.536001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.536001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.536001 (E_RNA) where: Base-Base interactions energy: -1339.205 where: short stacking energy: -590.239 Base-Backbone interact. energy: 0.438 local terms energy: -532.768657 where: bonds (distance) C4'-P energy: -92.033 bonds (distance) P-C4' energy: -95.671 flat angles C4'-P-C4' energy: -117.994 flat angles P-C4'-P energy: -72.373 tors. eta vs tors. theta energy: -154.698 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: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1836.865356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.865356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.865356 (E_RNA) where: Base-Base interactions energy: -1305.281 where: short stacking energy: -576.352 Base-Backbone interact. energy: 0.991 local terms energy: -532.575322 where: bonds (distance) C4'-P energy: -90.773 bonds (distance) P-C4' energy: -96.367 flat angles C4'-P-C4' energy: -104.056 flat angles P-C4'-P energy: -83.388 tors. eta vs tors. theta energy: -157.992 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1781.997426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.997426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.997426 (E_RNA) where: Base-Base interactions energy: -1285.552 where: short stacking energy: -571.511 Base-Backbone interact. energy: -2.234 local terms energy: -494.211447 where: bonds (distance) C4'-P energy: -86.986 bonds (distance) P-C4' energy: -83.926 flat angles C4'-P-C4' energy: -103.663 flat angles P-C4'-P energy: -65.821 tors. eta vs tors. theta energy: -153.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1720.725782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.725782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.725782 (E_RNA) where: Base-Base interactions energy: -1267.987 where: short stacking energy: -554.038 Base-Backbone interact. energy: 0.819 local terms energy: -453.557874 where: bonds (distance) C4'-P energy: -65.393 bonds (distance) P-C4' energy: -79.648 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -61.168 tors. eta vs tors. theta energy: -147.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1669.547353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.547353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.547353 (E_RNA) where: Base-Base interactions energy: -1185.082 where: short stacking energy: -538.331 Base-Backbone interact. energy: -1.840 local terms energy: -482.625314 where: bonds (distance) C4'-P energy: -97.202 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -94.979 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: -142.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1581.016745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.016745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.016745 (E_RNA) where: Base-Base interactions energy: -1147.957 where: short stacking energy: -511.898 Base-Backbone interact. energy: 2.601 local terms energy: -435.660652 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -66.948 flat angles C4'-P-C4' energy: -106.188 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: -137.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1522.954990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.954990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.954990 (E_RNA) where: Base-Base interactions energy: -1125.470 where: short stacking energy: -490.358 Base-Backbone interact. energy: -1.721 local terms energy: -395.763543 where: bonds (distance) C4'-P energy: -62.384 bonds (distance) P-C4' energy: -57.725 flat angles C4'-P-C4' energy: -87.513 flat angles P-C4'-P energy: -55.408 tors. eta vs tors. theta energy: -132.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1540.476712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.476712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.476712 (E_RNA) where: Base-Base interactions energy: -1084.547 where: short stacking energy: -503.890 Base-Backbone interact. energy: -1.606 local terms energy: -454.324295 where: bonds (distance) C4'-P energy: -76.706 bonds (distance) P-C4' energy: -79.785 flat angles C4'-P-C4' energy: -97.438 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: -138.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1057.094506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.094506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.094506 (E_RNA) where: Base-Base interactions energy: -691.328 where: short stacking energy: -351.220 Base-Backbone interact. energy: 1.709 local terms energy: -367.475067 where: bonds (distance) C4'-P energy: -81.359 bonds (distance) P-C4' energy: -80.667 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -40.313 tors. eta vs tors. theta energy: -85.976 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: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1970.547106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.547106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.547106 (E_RNA) where: Base-Base interactions energy: -1427.318 where: short stacking energy: -646.248 Base-Backbone interact. energy: -0.297 local terms energy: -542.931753 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -93.119 flat angles C4'-P-C4' energy: -111.659 flat angles P-C4'-P energy: -71.157 tors. eta vs tors. theta energy: -173.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1866.092683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.092683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.092683 (E_RNA) where: Base-Base interactions energy: -1334.894 where: short stacking energy: -606.049 Base-Backbone interact. energy: -0.675 local terms energy: -530.524178 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -92.141 flat angles C4'-P-C4' energy: -110.285 flat angles P-C4'-P energy: -73.984 tors. eta vs tors. theta energy: -156.355 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: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1833.416540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.416540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.416540 (E_RNA) where: Base-Base interactions energy: -1308.965 where: short stacking energy: -583.696 Base-Backbone interact. energy: -2.998 local terms energy: -521.453360 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -98.585 flat angles C4'-P-C4' energy: -106.041 flat angles P-C4'-P energy: -69.381 tors. eta vs tors. theta energy: -157.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1796.165739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.165739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.165739 (E_RNA) where: Base-Base interactions energy: -1290.622 where: short stacking energy: -554.180 Base-Backbone interact. energy: -2.106 local terms energy: -503.437191 where: bonds (distance) C4'-P energy: -82.279 bonds (distance) P-C4' energy: -85.020 flat angles C4'-P-C4' energy: -106.279 flat angles P-C4'-P energy: -77.007 tors. eta vs tors. theta energy: -152.851 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: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1736.821063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.821063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.821063 (E_RNA) where: Base-Base interactions energy: -1230.943 where: short stacking energy: -549.917 Base-Backbone interact. energy: -4.961 local terms energy: -500.917776 where: bonds (distance) C4'-P energy: -92.468 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -92.978 flat angles P-C4'-P energy: -80.905 tors. eta vs tors. theta energy: -148.554 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: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1677.494743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.494743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.494743 (E_RNA) where: Base-Base interactions energy: -1202.409 where: short stacking energy: -545.286 Base-Backbone interact. energy: -2.180 local terms energy: -472.905621 where: bonds (distance) C4'-P energy: -80.172 bonds (distance) P-C4' energy: -77.131 flat angles C4'-P-C4' energy: -104.651 flat angles P-C4'-P energy: -67.075 tors. eta vs tors. theta energy: -143.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1668.764785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.764785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.764785 (E_RNA) where: Base-Base interactions energy: -1216.754 where: short stacking energy: -534.770 Base-Backbone interact. energy: -0.911 local terms energy: -451.099526 where: bonds (distance) C4'-P energy: -67.680 bonds (distance) P-C4' energy: -76.952 flat angles C4'-P-C4' energy: -104.410 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -141.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1597.788103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.788103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.788103 (E_RNA) where: Base-Base interactions energy: -1145.609 where: short stacking energy: -543.879 Base-Backbone interact. energy: -0.067 local terms energy: -452.112332 where: bonds (distance) C4'-P energy: -79.997 bonds (distance) P-C4' energy: -78.305 flat angles C4'-P-C4' energy: -93.890 flat angles P-C4'-P energy: -57.896 tors. eta vs tors. theta energy: -142.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1437.224709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.224709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.224709 (E_RNA) where: Base-Base interactions energy: -1015.460 where: short stacking energy: -468.856 Base-Backbone interact. energy: -2.798 local terms energy: -418.966827 where: bonds (distance) C4'-P energy: -69.359 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -87.197 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -124.427 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: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1052.088252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.088252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.088252 (E_RNA) where: Base-Base interactions energy: -717.179 where: short stacking energy: -386.290 Base-Backbone interact. energy: 1.593 local terms energy: -336.501901 where: bonds (distance) C4'-P energy: -61.225 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -82.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1981.321673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.321673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.321673 (E_RNA) where: Base-Base interactions energy: -1412.881 where: short stacking energy: -639.088 Base-Backbone interact. energy: -1.370 local terms energy: -567.070045 where: bonds (distance) C4'-P energy: -94.475 bonds (distance) P-C4' energy: -101.661 flat angles C4'-P-C4' energy: -117.925 flat angles P-C4'-P energy: -84.350 tors. eta vs tors. theta energy: -168.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1857.400535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.400535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.400535 (E_RNA) where: Base-Base interactions energy: -1333.154 where: short stacking energy: -606.723 Base-Backbone interact. energy: -2.538 local terms energy: -521.708465 where: bonds (distance) C4'-P energy: -93.865 bonds (distance) P-C4' energy: -97.588 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -162.730 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: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1837.977732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.977732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.977732 (E_RNA) where: Base-Base interactions energy: -1326.002 where: short stacking energy: -610.422 Base-Backbone interact. energy: -0.774 local terms energy: -511.201794 where: bonds (distance) C4'-P energy: -91.763 bonds (distance) P-C4' energy: -90.099 flat angles C4'-P-C4' energy: -114.396 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -152.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1775.469918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.469918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.469918 (E_RNA) where: Base-Base interactions energy: -1290.239 where: short stacking energy: -578.424 Base-Backbone interact. energy: 1.777 local terms energy: -487.007723 where: bonds (distance) C4'-P energy: -86.557 bonds (distance) P-C4' energy: -82.758 flat angles C4'-P-C4' energy: -108.069 flat angles P-C4'-P energy: -57.651 tors. eta vs tors. theta energy: -151.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1735.102191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.102191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.102191 (E_RNA) where: Base-Base interactions energy: -1248.058 where: short stacking energy: -570.856 Base-Backbone interact. energy: -4.100 local terms energy: -482.944397 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -89.929 flat angles C4'-P-C4' energy: -103.464 flat angles P-C4'-P energy: -66.349 tors. eta vs tors. theta energy: -151.906 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: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1706.553853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.553853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.553853 (E_RNA) where: Base-Base interactions energy: -1213.988 where: short stacking energy: -562.551 Base-Backbone interact. energy: -2.870 local terms energy: -489.696153 where: bonds (distance) C4'-P energy: -83.354 bonds (distance) P-C4' energy: -82.181 flat angles C4'-P-C4' energy: -99.273 flat angles P-C4'-P energy: -73.640 tors. eta vs tors. theta energy: -151.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1595.283003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.283003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.283003 (E_RNA) where: Base-Base interactions energy: -1145.265 where: short stacking energy: -547.624 Base-Backbone interact. energy: 2.253 local terms energy: -452.270572 where: bonds (distance) C4'-P energy: -77.824 bonds (distance) P-C4' energy: -76.245 flat angles C4'-P-C4' energy: -98.395 flat angles P-C4'-P energy: -58.949 tors. eta vs tors. theta energy: -140.859 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: 6 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1609.310337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.310337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.310337 (E_RNA) where: Base-Base interactions energy: -1197.938 where: short stacking energy: -514.888 Base-Backbone interact. energy: -1.631 local terms energy: -409.742201 where: bonds (distance) C4'-P energy: -74.631 bonds (distance) P-C4' energy: -50.430 flat angles C4'-P-C4' energy: -96.036 flat angles P-C4'-P energy: -53.568 tors. eta vs tors. theta energy: -135.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1460.750132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.750132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.750132 (E_RNA) where: Base-Base interactions energy: -1032.554 where: short stacking energy: -464.096 Base-Backbone interact. energy: -2.907 local terms energy: -425.288580 where: bonds (distance) C4'-P energy: -87.310 bonds (distance) P-C4' energy: -69.564 flat angles C4'-P-C4' energy: -91.762 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: -119.547 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: 356 Temperature: 1.350000 Total energy: -1027.844024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.844024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.844024 (E_RNA) where: Base-Base interactions energy: -668.858 where: short stacking energy: -324.718 Base-Backbone interact. energy: 2.318 local terms energy: -361.304167 where: bonds (distance) C4'-P energy: -79.037 bonds (distance) P-C4' energy: -82.986 flat angles C4'-P-C4' energy: -65.110 flat angles P-C4'-P energy: -66.168 tors. eta vs tors. theta energy: -68.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1981.219574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.219574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.219574 (E_RNA) where: Base-Base interactions energy: -1417.687 where: short stacking energy: -648.363 Base-Backbone interact. energy: -0.606 local terms energy: -562.926395 where: bonds (distance) C4'-P energy: -94.324 bonds (distance) P-C4' energy: -98.202 flat angles C4'-P-C4' energy: -114.200 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -170.240 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: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1872.647350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.647350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.647350 (E_RNA) where: Base-Base interactions energy: -1321.368 where: short stacking energy: -581.435 Base-Backbone interact. energy: -2.695 local terms energy: -548.583711 where: bonds (distance) C4'-P energy: -93.434 bonds (distance) P-C4' energy: -99.531 flat angles C4'-P-C4' energy: -115.936 flat angles P-C4'-P energy: -77.322 tors. eta vs tors. theta energy: -162.361 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: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1831.378168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.378168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.378168 (E_RNA) where: Base-Base interactions energy: -1314.721 where: short stacking energy: -584.598 Base-Backbone interact. energy: -2.821 local terms energy: -513.835804 where: bonds (distance) C4'-P energy: -85.910 bonds (distance) P-C4' energy: -91.725 flat angles C4'-P-C4' energy: -106.027 flat angles P-C4'-P energy: -77.306 tors. eta vs tors. theta energy: -152.867 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: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1795.685152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.685152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.685152 (E_RNA) where: Base-Base interactions energy: -1287.811 where: short stacking energy: -558.971 Base-Backbone interact. energy: -0.017 local terms energy: -507.856665 where: bonds (distance) C4'-P energy: -81.115 bonds (distance) P-C4' energy: -92.292 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -150.277 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: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1744.703000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.703000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.703000 (E_RNA) where: Base-Base interactions energy: -1250.971 where: short stacking energy: -564.523 Base-Backbone interact. energy: 0.956 local terms energy: -494.688179 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -97.103 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -77.139 tors. eta vs tors. theta energy: -147.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1676.907598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.907598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.907598 (E_RNA) where: Base-Base interactions energy: -1170.463 where: short stacking energy: -552.357 Base-Backbone interact. energy: 1.161 local terms energy: -507.605957 where: bonds (distance) C4'-P energy: -87.619 bonds (distance) P-C4' energy: -96.180 flat angles C4'-P-C4' energy: -111.272 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -148.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1658.000553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.000553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.000553 (E_RNA) where: Base-Base interactions energy: -1190.906 where: short stacking energy: -537.328 Base-Backbone interact. energy: 0.160 local terms energy: -467.254152 where: bonds (distance) C4'-P energy: -87.561 bonds (distance) P-C4' energy: -67.944 flat angles C4'-P-C4' energy: -107.463 flat angles P-C4'-P energy: -56.074 tors. eta vs tors. theta energy: -148.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1589.829450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.829450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.829450 (E_RNA) where: Base-Base interactions energy: -1151.670 where: short stacking energy: -497.453 Base-Backbone interact. energy: -1.879 local terms energy: -436.280074 where: bonds (distance) C4'-P energy: -92.552 bonds (distance) P-C4' energy: -71.081 flat angles C4'-P-C4' energy: -86.060 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -126.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1441.697528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.697528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.697528 (E_RNA) where: Base-Base interactions energy: -1046.864 where: short stacking energy: -459.338 Base-Backbone interact. energy: -0.842 local terms energy: -393.991036 where: bonds (distance) C4'-P energy: -71.136 bonds (distance) P-C4' energy: -64.582 flat angles C4'-P-C4' energy: -84.804 flat angles P-C4'-P energy: -58.592 tors. eta vs tors. theta energy: -114.877 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: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1052.692740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.692740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.692740 (E_RNA) where: Base-Base interactions energy: -728.533 where: short stacking energy: -363.108 Base-Backbone interact. energy: 0.542 local terms energy: -324.701730 where: bonds (distance) C4'-P energy: -70.980 bonds (distance) P-C4' energy: -77.436 flat angles C4'-P-C4' energy: -75.037 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: -64.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1972.210463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.210463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.210463 (E_RNA) where: Base-Base interactions energy: -1421.177 where: short stacking energy: -647.662 Base-Backbone interact. energy: -4.330 local terms energy: -546.703105 where: bonds (distance) C4'-P energy: -91.270 bonds (distance) P-C4' energy: -97.657 flat angles C4'-P-C4' energy: -115.857 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: -167.206 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: 2, replica: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1874.210426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.210426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.210426 (E_RNA) where: Base-Base interactions energy: -1347.842 where: short stacking energy: -592.933 Base-Backbone interact. energy: -1.272 local terms energy: -525.096643 where: bonds (distance) C4'-P energy: -85.885 bonds (distance) P-C4' energy: -98.030 flat angles C4'-P-C4' energy: -106.077 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: -161.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1832.842480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.842480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.842480 (E_RNA) where: Base-Base interactions energy: -1328.173 where: short stacking energy: -605.348 Base-Backbone interact. energy: -2.516 local terms energy: -502.153747 where: bonds (distance) C4'-P energy: -73.865 bonds (distance) P-C4' energy: -93.992 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -70.692 tors. eta vs tors. theta energy: -162.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1801.882368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.882368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.882368 (E_RNA) where: Base-Base interactions energy: -1298.016 where: short stacking energy: -583.448 Base-Backbone interact. energy: -2.749 local terms energy: -501.117689 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -85.489 flat angles C4'-P-C4' energy: -108.722 flat angles P-C4'-P energy: -69.168 tors. eta vs tors. theta energy: -154.669 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: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1762.785081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.785081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.785081 (E_RNA) where: Base-Base interactions energy: -1254.176 where: short stacking energy: -582.332 Base-Backbone interact. energy: -2.059 local terms energy: -506.549865 where: bonds (distance) C4'-P energy: -80.607 bonds (distance) P-C4' energy: -92.519 flat angles C4'-P-C4' energy: -109.861 flat angles P-C4'-P energy: -66.373 tors. eta vs tors. theta energy: -157.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1601.479339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.479339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.479339 (E_RNA) where: Base-Base interactions energy: -1134.459 where: short stacking energy: -525.591 Base-Backbone interact. energy: -1.538 local terms energy: -465.482624 where: bonds (distance) C4'-P energy: -81.424 bonds (distance) P-C4' energy: -75.134 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -139.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1664.516702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.516702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.516702 (E_RNA) where: Base-Base interactions energy: -1199.616 where: short stacking energy: -527.137 Base-Backbone interact. energy: 0.129 local terms energy: -465.029560 where: bonds (distance) C4'-P energy: -76.146 bonds (distance) P-C4' energy: -85.541 flat angles C4'-P-C4' energy: -100.042 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -151.418 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: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1592.625396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.625396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.625396 (E_RNA) where: Base-Base interactions energy: -1153.871 where: short stacking energy: -520.166 Base-Backbone interact. energy: -1.254 local terms energy: -437.500210 where: bonds (distance) C4'-P energy: -70.165 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -98.927 flat angles P-C4'-P energy: -59.108 tors. eta vs tors. theta energy: -139.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1389.133077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.133077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.133077 (E_RNA) where: Base-Base interactions energy: -955.811 where: short stacking energy: -438.362 Base-Backbone interact. energy: -3.239 local terms energy: -430.083529 where: bonds (distance) C4'-P energy: -68.109 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -91.415 flat angles P-C4'-P energy: -64.343 tors. eta vs tors. theta energy: -109.226 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: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1092.349154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.349154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.349154 (E_RNA) where: Base-Base interactions energy: -742.717 where: short stacking energy: -372.318 Base-Backbone interact. energy: -2.826 local terms energy: -346.805533 where: bonds (distance) C4'-P energy: -83.496 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -70.877 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: -80.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1971.323590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.323590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.323590 (E_RNA) where: Base-Base interactions energy: -1419.855 where: short stacking energy: -631.684 Base-Backbone interact. energy: -2.743 local terms energy: -548.725520 where: bonds (distance) C4'-P energy: -94.851 bonds (distance) P-C4' energy: -94.159 flat angles C4'-P-C4' energy: -106.666 flat angles P-C4'-P energy: -81.750 tors. eta vs tors. theta energy: -171.300 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: 7 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1859.083992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.083992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.083992 (E_RNA) where: Base-Base interactions energy: -1328.134 where: short stacking energy: -595.856 Base-Backbone interact. energy: -2.903 local terms energy: -528.047091 where: bonds (distance) C4'-P energy: -94.342 bonds (distance) P-C4' energy: -90.309 flat angles C4'-P-C4' energy: -109.944 flat angles P-C4'-P energy: -72.777 tors. eta vs tors. theta energy: -160.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1860.875863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.875863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.875863 (E_RNA) where: Base-Base interactions energy: -1327.034 where: short stacking energy: -597.883 Base-Backbone interact. energy: -1.703 local terms energy: -532.139095 where: bonds (distance) C4'-P energy: -93.876 bonds (distance) P-C4' energy: -92.798 flat angles C4'-P-C4' energy: -107.836 flat angles P-C4'-P energy: -77.284 tors. eta vs tors. theta energy: -160.345 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: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1814.587698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.587698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.587698 (E_RNA) where: Base-Base interactions energy: -1297.816 where: short stacking energy: -582.284 Base-Backbone interact. energy: -1.475 local terms energy: -515.296305 where: bonds (distance) C4'-P energy: -88.273 bonds (distance) P-C4' energy: -88.564 flat angles C4'-P-C4' energy: -113.763 flat angles P-C4'-P energy: -75.444 tors. eta vs tors. theta energy: -149.253 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: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1747.226637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.226637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.226637 (E_RNA) where: Base-Base interactions energy: -1252.346 where: short stacking energy: -578.521 Base-Backbone interact. energy: -0.138 local terms energy: -494.742544 where: bonds (distance) C4'-P energy: -72.398 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -106.551 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -150.681 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: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1661.096639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.096639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.096639 (E_RNA) where: Base-Base interactions energy: -1188.386 where: short stacking energy: -545.848 Base-Backbone interact. energy: -1.971 local terms energy: -470.739559 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -88.391 flat angles C4'-P-C4' energy: -98.360 flat angles P-C4'-P energy: -69.713 tors. eta vs tors. theta energy: -142.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1586.515519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.515519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.515519 (E_RNA) where: Base-Base interactions energy: -1166.873 where: short stacking energy: -530.001 Base-Backbone interact. energy: -1.486 local terms energy: -418.157081 where: bonds (distance) C4'-P energy: -75.403 bonds (distance) P-C4' energy: -57.306 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -68.295 tors. eta vs tors. theta energy: -141.986 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: 359 Temperature: 1.250000 Total energy: -1604.333891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.333891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.333891 (E_RNA) where: Base-Base interactions energy: -1136.379 where: short stacking energy: -486.381 Base-Backbone interact. energy: -2.870 local terms energy: -465.084830 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -99.239 flat angles P-C4'-P energy: -68.161 tors. eta vs tors. theta energy: -128.808 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1314.712409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.712409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.712409 (E_RNA) where: Base-Base interactions energy: -890.052 where: short stacking energy: -435.567 Base-Backbone interact. energy: 0.780 local terms energy: -425.440503 where: bonds (distance) C4'-P energy: -89.518 bonds (distance) P-C4' energy: -86.164 flat angles C4'-P-C4' energy: -88.206 flat angles P-C4'-P energy: -54.807 tors. eta vs tors. theta energy: -106.744 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: 359 Temperature: 1.350000 Total energy: -1041.709802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.709802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.709802 (E_RNA) where: Base-Base interactions energy: -675.180 where: short stacking energy: -332.493 Base-Backbone interact. energy: -0.800 local terms energy: -365.729575 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -84.157 flat angles C4'-P-C4' energy: -71.706 flat angles P-C4'-P energy: -49.777 tors. eta vs tors. theta energy: -79.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1986.501525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.501525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.501525 (E_RNA) where: Base-Base interactions energy: -1422.003 where: short stacking energy: -643.977 Base-Backbone interact. energy: -2.449 local terms energy: -562.049636 where: bonds (distance) C4'-P energy: -91.494 bonds (distance) P-C4' energy: -98.592 flat angles C4'-P-C4' energy: -114.973 flat angles P-C4'-P energy: -86.157 tors. eta vs tors. theta energy: -170.834 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: 7 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1841.155311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.155311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.155311 (E_RNA) where: Base-Base interactions energy: -1320.059 where: short stacking energy: -591.388 Base-Backbone interact. energy: -1.314 local terms energy: -519.782606 where: bonds (distance) C4'-P energy: -81.443 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -108.634 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: -159.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1837.697662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.697662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.697662 (E_RNA) where: Base-Base interactions energy: -1327.991 where: short stacking energy: -602.638 Base-Backbone interact. energy: -2.573 local terms energy: -507.133960 where: bonds (distance) C4'-P energy: -86.740 bonds (distance) P-C4' energy: -89.572 flat angles C4'-P-C4' energy: -102.342 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: -161.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1797.682169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.682169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.682169 (E_RNA) where: Base-Base interactions energy: -1310.669 where: short stacking energy: -581.929 Base-Backbone interact. energy: -0.480 local terms energy: -486.532889 where: bonds (distance) C4'-P energy: -86.059 bonds (distance) P-C4' energy: -80.790 flat angles C4'-P-C4' energy: -103.218 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -158.712 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: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1743.646052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.646052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.646052 (E_RNA) where: Base-Base interactions energy: -1253.169 where: short stacking energy: -565.935 Base-Backbone interact. energy: -2.957 local terms energy: -487.519463 where: bonds (distance) C4'-P energy: -90.380 bonds (distance) P-C4' energy: -86.992 flat angles C4'-P-C4' energy: -101.118 flat angles P-C4'-P energy: -55.921 tors. eta vs tors. theta energy: -153.109 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: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1663.821216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.821216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.821216 (E_RNA) where: Base-Base interactions energy: -1195.890 where: short stacking energy: -527.781 Base-Backbone interact. energy: -1.892 local terms energy: -466.039245 where: bonds (distance) C4'-P energy: -68.319 bonds (distance) P-C4' energy: -90.882 flat angles C4'-P-C4' energy: -102.418 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -138.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1595.467245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.467245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.467245 (E_RNA) where: Base-Base interactions energy: -1141.648 where: short stacking energy: -517.806 Base-Backbone interact. energy: -0.490 local terms energy: -453.329781 where: bonds (distance) C4'-P energy: -73.823 bonds (distance) P-C4' energy: -90.142 flat angles C4'-P-C4' energy: -100.936 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -137.153 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: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1552.964692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.964692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.964692 (E_RNA) where: Base-Base interactions energy: -1120.573 where: short stacking energy: -473.243 Base-Backbone interact. energy: -1.363 local terms energy: -431.028101 where: bonds (distance) C4'-P energy: -84.263 bonds (distance) P-C4' energy: -66.552 flat angles C4'-P-C4' energy: -90.572 flat angles P-C4'-P energy: -57.801 tors. eta vs tors. theta energy: -131.840 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: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1328.770074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.770074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.770074 (E_RNA) where: Base-Base interactions energy: -946.802 where: short stacking energy: -418.624 Base-Backbone interact. energy: 0.039 local terms energy: -382.007129 where: bonds (distance) C4'-P energy: -79.492 bonds (distance) P-C4' energy: -66.463 flat angles C4'-P-C4' energy: -94.499 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -89.210 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1023.478097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.478097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.478097 (E_RNA) where: Base-Base interactions energy: -666.797 where: short stacking energy: -347.259 Base-Backbone interact. energy: -1.978 local terms energy: -354.702477 where: bonds (distance) C4'-P energy: -79.805 bonds (distance) P-C4' energy: -68.130 flat angles C4'-P-C4' energy: -76.013 flat angles P-C4'-P energy: -54.787 tors. eta vs tors. theta energy: -75.967 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: 5 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1970.337947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.337947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.337947 (E_RNA) where: Base-Base interactions energy: -1420.800 where: short stacking energy: -637.011 Base-Backbone interact. energy: -1.778 local terms energy: -547.759271 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -85.961 flat angles C4'-P-C4' energy: -115.834 flat angles P-C4'-P energy: -81.601 tors. eta vs tors. theta energy: -171.662 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: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1844.871617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.871617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.871617 (E_RNA) where: Base-Base interactions energy: -1324.977 where: short stacking energy: -614.390 Base-Backbone interact. energy: 2.188 local terms energy: -522.081879 where: bonds (distance) C4'-P energy: -93.644 bonds (distance) P-C4' energy: -90.214 flat angles C4'-P-C4' energy: -105.024 flat angles P-C4'-P energy: -77.974 tors. eta vs tors. theta energy: -155.225 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: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1825.397442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.397442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.397442 (E_RNA) where: Base-Base interactions energy: -1324.590 where: short stacking energy: -596.356 Base-Backbone interact. energy: -3.855 local terms energy: -496.952733 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -81.399 flat angles C4'-P-C4' energy: -108.422 flat angles P-C4'-P energy: -70.509 tors. eta vs tors. theta energy: -156.838 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: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1782.584799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.584799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.584799 (E_RNA) where: Base-Base interactions energy: -1292.725 where: short stacking energy: -592.657 Base-Backbone interact. energy: -4.022 local terms energy: -485.837153 where: bonds (distance) C4'-P energy: -87.162 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -106.430 flat angles P-C4'-P energy: -61.796 tors. eta vs tors. theta energy: -153.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1737.106821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.106821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.106821 (E_RNA) where: Base-Base interactions energy: -1269.738 where: short stacking energy: -555.793 Base-Backbone interact. energy: -0.612 local terms energy: -466.756113 where: bonds (distance) C4'-P energy: -81.030 bonds (distance) P-C4' energy: -82.508 flat angles C4'-P-C4' energy: -101.072 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -148.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1614.313615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.313615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.313615 (E_RNA) where: Base-Base interactions energy: -1127.617 where: short stacking energy: -525.395 Base-Backbone interact. energy: -1.754 local terms energy: -484.942260 where: bonds (distance) C4'-P energy: -94.658 bonds (distance) P-C4' energy: -66.870 flat angles C4'-P-C4' energy: -109.498 flat angles P-C4'-P energy: -68.642 tors. eta vs tors. theta energy: -145.275 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: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1631.606178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.606178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.606178 (E_RNA) where: Base-Base interactions energy: -1148.745 where: short stacking energy: -505.683 Base-Backbone interact. energy: -1.344 local terms energy: -481.518003 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -76.586 flat angles C4'-P-C4' energy: -107.359 flat angles P-C4'-P energy: -68.148 tors. eta vs tors. theta energy: -141.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1533.961963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.961963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.961963 (E_RNA) where: Base-Base interactions energy: -1067.964 where: short stacking energy: -487.111 Base-Backbone interact. energy: -1.194 local terms energy: -464.804518 where: bonds (distance) C4'-P energy: -88.445 bonds (distance) P-C4' energy: -77.718 flat angles C4'-P-C4' energy: -101.070 flat angles P-C4'-P energy: -57.906 tors. eta vs tors. theta energy: -139.666 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1375.090761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.090761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.090761 (E_RNA) where: Base-Base interactions energy: -976.541 where: short stacking energy: -429.904 Base-Backbone interact. energy: -1.452 local terms energy: -397.098344 where: bonds (distance) C4'-P energy: -80.382 bonds (distance) P-C4' energy: -75.765 flat angles C4'-P-C4' energy: -91.708 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: -104.611 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: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1149.794265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.794265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.794265 (E_RNA) where: Base-Base interactions energy: -809.312 where: short stacking energy: -390.544 Base-Backbone interact. energy: -1.563 local terms energy: -338.919945 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -65.550 flat angles C4'-P-C4' energy: -77.708 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -80.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1978.511006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.511006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.511006 (E_RNA) where: Base-Base interactions energy: -1417.869 where: short stacking energy: -637.126 Base-Backbone interact. energy: -0.127 local terms energy: -560.514683 where: bonds (distance) C4'-P energy: -93.513 bonds (distance) P-C4' energy: -92.928 flat angles C4'-P-C4' energy: -119.314 flat angles P-C4'-P energy: -80.211 tors. eta vs tors. theta energy: -174.549 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: 362 Temperature: 0.950000 Total energy: -1851.637711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.637711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.637711 (E_RNA) where: Base-Base interactions energy: -1329.576 where: short stacking energy: -595.746 Base-Backbone interact. energy: -2.182 local terms energy: -519.879271 where: bonds (distance) C4'-P energy: -86.403 bonds (distance) P-C4' energy: -87.739 flat angles C4'-P-C4' energy: -113.348 flat angles P-C4'-P energy: -70.128 tors. eta vs tors. theta energy: -162.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1827.425687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.425687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.425687 (E_RNA) where: Base-Base interactions energy: -1314.907 where: short stacking energy: -603.356 Base-Backbone interact. energy: 0.294 local terms energy: -512.812795 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -95.816 flat angles C4'-P-C4' energy: -107.481 flat angles P-C4'-P energy: -67.903 tors. eta vs tors. theta energy: -157.540 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: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1779.890352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.890352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.890352 (E_RNA) where: Base-Base interactions energy: -1285.167 where: short stacking energy: -573.142 Base-Backbone interact. energy: 2.322 local terms energy: -497.045748 where: bonds (distance) C4'-P energy: -87.507 bonds (distance) P-C4' energy: -94.044 flat angles C4'-P-C4' energy: -99.014 flat angles P-C4'-P energy: -63.699 tors. eta vs tors. theta energy: -152.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1766.284353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.284353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.284353 (E_RNA) where: Base-Base interactions energy: -1246.676 where: short stacking energy: -568.176 Base-Backbone interact. energy: -2.645 local terms energy: -516.963815 where: bonds (distance) C4'-P energy: -95.705 bonds (distance) P-C4' energy: -88.536 flat angles C4'-P-C4' energy: -106.758 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -156.815 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: 6, replica: 10 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1639.890730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.890730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.890730 (E_RNA) where: Base-Base interactions energy: -1185.469 where: short stacking energy: -556.292 Base-Backbone interact. energy: 3.775 local terms energy: -458.196805 where: bonds (distance) C4'-P energy: -64.461 bonds (distance) P-C4' energy: -87.323 flat angles C4'-P-C4' energy: -102.948 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: -137.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1661.656139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.656139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.656139 (E_RNA) where: Base-Base interactions energy: -1192.638 where: short stacking energy: -530.985 Base-Backbone interact. energy: -0.989 local terms energy: -468.029170 where: bonds (distance) C4'-P energy: -78.221 bonds (distance) P-C4' energy: -87.026 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -50.122 tors. eta vs tors. theta energy: -149.458 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: 362 Temperature: 1.250000 Total energy: -1515.417140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.417140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.417140 (E_RNA) where: Base-Base interactions energy: -1050.439 where: short stacking energy: -480.437 Base-Backbone interact. energy: -1.687 local terms energy: -463.291101 where: bonds (distance) C4'-P energy: -78.098 bonds (distance) P-C4' energy: -90.593 flat angles C4'-P-C4' energy: -96.475 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -133.771 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: 362 Temperature: 1.300000 Total energy: -1451.396928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.396928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.396928 (E_RNA) where: Base-Base interactions energy: -1064.318 where: short stacking energy: -472.731 Base-Backbone interact. energy: -1.369 local terms energy: -385.709462 where: bonds (distance) C4'-P energy: -72.293 bonds (distance) P-C4' energy: -69.443 flat angles C4'-P-C4' energy: -81.558 flat angles P-C4'-P energy: -50.582 tors. eta vs tors. theta energy: -111.833 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: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1103.899999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.899999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.899999 (E_RNA) where: Base-Base interactions energy: -756.853 where: short stacking energy: -360.947 Base-Backbone interact. energy: 0.728 local terms energy: -347.775126 where: bonds (distance) C4'-P energy: -56.794 bonds (distance) P-C4' energy: -63.932 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -59.078 tors. eta vs tors. theta energy: -74.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1978.799174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.799174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.799174 (E_RNA) where: Base-Base interactions energy: -1432.105 where: short stacking energy: -647.120 Base-Backbone interact. energy: 0.680 local terms energy: -547.374575 where: bonds (distance) C4'-P energy: -95.188 bonds (distance) P-C4' energy: -95.578 flat angles C4'-P-C4' energy: -113.518 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -169.500 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: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1872.822039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.822039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.822039 (E_RNA) where: Base-Base interactions energy: -1355.859 where: short stacking energy: -618.514 Base-Backbone interact. energy: -2.317 local terms energy: -514.645970 where: bonds (distance) C4'-P energy: -80.791 bonds (distance) P-C4' energy: -96.582 flat angles C4'-P-C4' energy: -111.316 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -166.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1824.877473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.877473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.877473 (E_RNA) where: Base-Base interactions energy: -1328.900 where: short stacking energy: -607.980 Base-Backbone interact. energy: -2.790 local terms energy: -493.186763 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -103.918 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: -151.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1797.798602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.798602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.798602 (E_RNA) where: Base-Base interactions energy: -1280.234 where: short stacking energy: -579.218 Base-Backbone interact. energy: -2.601 local terms energy: -514.963569 where: bonds (distance) C4'-P energy: -90.699 bonds (distance) P-C4' energy: -96.286 flat angles C4'-P-C4' energy: -102.337 flat angles P-C4'-P energy: -62.453 tors. eta vs tors. theta energy: -163.188 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: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1743.151645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.151645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.151645 (E_RNA) where: Base-Base interactions energy: -1261.329 where: short stacking energy: -541.845 Base-Backbone interact. energy: -1.792 local terms energy: -480.029924 where: bonds (distance) C4'-P energy: -93.010 bonds (distance) P-C4' energy: -85.702 flat angles C4'-P-C4' energy: -105.722 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -137.633 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: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1669.732235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.732235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.732235 (E_RNA) where: Base-Base interactions energy: -1200.826 where: short stacking energy: -535.330 Base-Backbone interact. energy: -3.257 local terms energy: -465.649109 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -94.099 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: -137.886 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: 7, replica: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1587.054292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.054292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.054292 (E_RNA) where: Base-Base interactions energy: -1141.038 where: short stacking energy: -526.569 Base-Backbone interact. energy: 0.741 local terms energy: -446.757029 where: bonds (distance) C4'-P energy: -74.711 bonds (distance) P-C4' energy: -74.792 flat angles C4'-P-C4' energy: -96.264 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -137.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1524.104134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.104134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.104134 (E_RNA) where: Base-Base interactions energy: -1112.835 where: short stacking energy: -505.905 Base-Backbone interact. energy: 5.029 local terms energy: -416.298030 where: bonds (distance) C4'-P energy: -60.638 bonds (distance) P-C4' energy: -73.747 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -55.458 tors. eta vs tors. theta energy: -134.566 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: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1475.489139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.489139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.489139 (E_RNA) where: Base-Base interactions energy: -1078.028 where: short stacking energy: -493.942 Base-Backbone interact. energy: -1.292 local terms energy: -396.168675 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -86.714 flat angles C4'-P-C4' energy: -80.190 flat angles P-C4'-P energy: -37.401 tors. eta vs tors. theta energy: -128.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1107.862496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.862496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.862496 (E_RNA) where: Base-Base interactions energy: -755.536 where: short stacking energy: -377.008 Base-Backbone interact. energy: 2.454 local terms energy: -354.779696 where: bonds (distance) C4'-P energy: -73.614 bonds (distance) P-C4' energy: -84.172 flat angles C4'-P-C4' energy: -85.643 flat angles P-C4'-P energy: -34.863 tors. eta vs tors. theta energy: -76.487 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: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1974.831034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.831034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.831034 (E_RNA) where: Base-Base interactions energy: -1412.220 where: short stacking energy: -639.199 Base-Backbone interact. energy: -3.425 local terms energy: -559.186309 where: bonds (distance) C4'-P energy: -83.796 bonds (distance) P-C4' energy: -100.167 flat angles C4'-P-C4' energy: -116.229 flat angles P-C4'-P energy: -85.967 tors. eta vs tors. theta energy: -173.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1863.278950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.278950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.278950 (E_RNA) where: Base-Base interactions energy: -1335.312 where: short stacking energy: -605.901 Base-Backbone interact. energy: -2.052 local terms energy: -525.915475 where: bonds (distance) C4'-P energy: -86.474 bonds (distance) P-C4' energy: -90.122 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -161.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1824.938172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.938172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.938172 (E_RNA) where: Base-Base interactions energy: -1296.978 where: short stacking energy: -599.450 Base-Backbone interact. energy: 2.787 local terms energy: -530.746995 where: bonds (distance) C4'-P energy: -95.266 bonds (distance) P-C4' energy: -86.641 flat angles C4'-P-C4' energy: -108.933 flat angles P-C4'-P energy: -73.250 tors. eta vs tors. theta energy: -166.657 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: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1791.385809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.385809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.385809 (E_RNA) where: Base-Base interactions energy: -1294.437 where: short stacking energy: -571.239 Base-Backbone interact. energy: 2.231 local terms energy: -499.179770 where: bonds (distance) C4'-P energy: -93.257 bonds (distance) P-C4' energy: -99.468 flat angles C4'-P-C4' energy: -95.454 flat angles P-C4'-P energy: -58.476 tors. eta vs tors. theta energy: -152.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1758.199864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.199864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.199864 (E_RNA) where: Base-Base interactions energy: -1291.471 where: short stacking energy: -561.677 Base-Backbone interact. energy: -3.319 local terms energy: -463.409084 where: bonds (distance) C4'-P energy: -73.834 bonds (distance) P-C4' energy: -82.794 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -60.220 tors. eta vs tors. theta energy: -149.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1659.664477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.664477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.664477 (E_RNA) where: Base-Base interactions energy: -1200.911 where: short stacking energy: -551.380 Base-Backbone interact. energy: -3.666 local terms energy: -455.087229 where: bonds (distance) C4'-P energy: -71.821 bonds (distance) P-C4' energy: -70.193 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -140.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1578.152303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.152303 (E_RNA) where: Base-Base interactions energy: -1115.516 where: short stacking energy: -513.058 Base-Backbone interact. energy: -1.166 local terms energy: -461.469725 where: bonds (distance) C4'-P energy: -84.125 bonds (distance) P-C4' energy: -85.288 flat angles C4'-P-C4' energy: -99.060 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: -134.603 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: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1573.358676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.358676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.358676 (E_RNA) where: Base-Base interactions energy: -1121.465 where: short stacking energy: -505.922 Base-Backbone interact. energy: -1.062 local terms energy: -450.831843 where: bonds (distance) C4'-P energy: -78.498 bonds (distance) P-C4' energy: -76.487 flat angles C4'-P-C4' energy: -86.184 flat angles P-C4'-P energy: -65.485 tors. eta vs tors. theta energy: -144.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1495.205361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.205361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.205361 (E_RNA) where: Base-Base interactions energy: -1060.291 where: short stacking energy: -497.815 Base-Backbone interact. energy: -1.686 local terms energy: -433.228296 where: bonds (distance) C4'-P energy: -77.389 bonds (distance) P-C4' energy: -79.811 flat angles C4'-P-C4' energy: -95.802 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -129.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1093.884300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.884300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.884300 (E_RNA) where: Base-Base interactions energy: -757.970 where: short stacking energy: -360.285 Base-Backbone interact. energy: -0.575 local terms energy: -335.338646 where: bonds (distance) C4'-P energy: -64.689 bonds (distance) P-C4' energy: -65.341 flat angles C4'-P-C4' energy: -81.736 flat angles P-C4'-P energy: -48.585 tors. eta vs tors. theta energy: -74.988 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: 365 Temperature: 0.900000 Total energy: -1985.039859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.039859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.039859 (E_RNA) where: Base-Base interactions energy: -1417.267 where: short stacking energy: -632.527 Base-Backbone interact. energy: -1.407 local terms energy: -566.365412 where: bonds (distance) C4'-P energy: -96.630 bonds (distance) P-C4' energy: -104.958 flat angles C4'-P-C4' energy: -115.357 flat angles P-C4'-P energy: -79.518 tors. eta vs tors. theta energy: -169.902 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: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1851.679503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.679503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.679503 (E_RNA) where: Base-Base interactions energy: -1312.885 where: short stacking energy: -594.296 Base-Backbone interact. energy: -1.765 local terms energy: -537.029073 where: bonds (distance) C4'-P energy: -96.330 bonds (distance) P-C4' energy: -94.622 flat angles C4'-P-C4' energy: -111.684 flat angles P-C4'-P energy: -71.642 tors. eta vs tors. theta energy: -162.750 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: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1815.234320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.234320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.234320 (E_RNA) where: Base-Base interactions energy: -1302.158 where: short stacking energy: -576.061 Base-Backbone interact. energy: -0.264 local terms energy: -512.812878 where: bonds (distance) C4'-P energy: -83.011 bonds (distance) P-C4' energy: -98.085 flat angles C4'-P-C4' energy: -99.685 flat angles P-C4'-P energy: -79.754 tors. eta vs tors. theta energy: -152.278 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: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1808.213682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.213682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.213682 (E_RNA) where: Base-Base interactions energy: -1304.938 where: short stacking energy: -575.923 Base-Backbone interact. energy: -1.295 local terms energy: -501.980863 where: bonds (distance) C4'-P energy: -83.577 bonds (distance) P-C4' energy: -86.023 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -75.313 tors. eta vs tors. theta energy: -157.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1754.518514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.518514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.518514 (E_RNA) where: Base-Base interactions energy: -1262.882 where: short stacking energy: -561.079 Base-Backbone interact. energy: -2.402 local terms energy: -489.234758 where: bonds (distance) C4'-P energy: -80.257 bonds (distance) P-C4' energy: -83.070 flat angles C4'-P-C4' energy: -103.750 flat angles P-C4'-P energy: -71.836 tors. eta vs tors. theta energy: -150.322 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: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1674.686171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.686171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.686171 (E_RNA) where: Base-Base interactions energy: -1218.488 where: short stacking energy: -551.557 Base-Backbone interact. energy: -2.048 local terms energy: -454.150125 where: bonds (distance) C4'-P energy: -65.357 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -98.536 flat angles P-C4'-P energy: -68.686 tors. eta vs tors. theta energy: -155.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1606.164807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.164807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.164807 (E_RNA) where: Base-Base interactions energy: -1156.377 where: short stacking energy: -533.760 Base-Backbone interact. energy: 0.173 local terms energy: -449.960739 where: bonds (distance) C4'-P energy: -72.742 bonds (distance) P-C4' energy: -82.936 flat angles C4'-P-C4' energy: -88.632 flat angles P-C4'-P energy: -63.026 tors. eta vs tors. theta energy: -142.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1580.703415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.703415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.703415 (E_RNA) where: Base-Base interactions energy: -1124.583 where: short stacking energy: -533.066 Base-Backbone interact. energy: -0.306 local terms energy: -455.814590 where: bonds (distance) C4'-P energy: -74.942 bonds (distance) P-C4' energy: -76.503 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -63.650 tors. eta vs tors. theta energy: -140.664 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: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1477.143148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.143148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.143148 (E_RNA) where: Base-Base interactions energy: -1056.414 where: short stacking energy: -484.555 Base-Backbone interact. energy: -0.810 local terms energy: -419.919617 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -71.333 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -51.764 tors. eta vs tors. theta energy: -127.473 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: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1100.796493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.796493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.796493 (E_RNA) where: Base-Base interactions energy: -741.325 where: short stacking energy: -374.110 Base-Backbone interact. energy: 0.099 local terms energy: -359.570429 where: bonds (distance) C4'-P energy: -70.122 bonds (distance) P-C4' energy: -77.597 flat angles C4'-P-C4' energy: -78.645 flat angles P-C4'-P energy: -48.613 tors. eta vs tors. theta energy: -84.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1959.794248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.794248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.794248 (E_RNA) where: Base-Base interactions energy: -1403.832 where: short stacking energy: -627.939 Base-Backbone interact. energy: -1.995 local terms energy: -553.967502 where: bonds (distance) C4'-P energy: -91.042 bonds (distance) P-C4' energy: -96.716 flat angles C4'-P-C4' energy: -110.566 flat angles P-C4'-P energy: -82.779 tors. eta vs tors. theta energy: -172.863 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: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1855.154222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.154222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.154222 (E_RNA) where: Base-Base interactions energy: -1319.855 where: short stacking energy: -590.605 Base-Backbone interact. energy: 0.247 local terms energy: -535.546011 where: bonds (distance) C4'-P energy: -96.115 bonds (distance) P-C4' energy: -95.929 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -76.828 tors. eta vs tors. theta energy: -158.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1836.078177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.078177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.078177 (E_RNA) where: Base-Base interactions energy: -1309.379 where: short stacking energy: -576.178 Base-Backbone interact. energy: 3.230 local terms energy: -529.929527 where: bonds (distance) C4'-P energy: -98.355 bonds (distance) P-C4' energy: -89.983 flat angles C4'-P-C4' energy: -106.910 flat angles P-C4'-P energy: -76.597 tors. eta vs tors. theta energy: -158.084 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1779.684464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.684464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.684464 (E_RNA) where: Base-Base interactions energy: -1303.948 where: short stacking energy: -587.617 Base-Backbone interact. energy: -4.234 local terms energy: -471.502289 where: bonds (distance) C4'-P energy: -83.188 bonds (distance) P-C4' energy: -74.838 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -59.967 tors. eta vs tors. theta energy: -151.822 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: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1731.658784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.658784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.658784 (E_RNA) where: Base-Base interactions energy: -1260.340 where: short stacking energy: -557.782 Base-Backbone interact. energy: -1.323 local terms energy: -469.995669 where: bonds (distance) C4'-P energy: -85.266 bonds (distance) P-C4' energy: -80.519 flat angles C4'-P-C4' energy: -87.740 flat angles P-C4'-P energy: -69.216 tors. eta vs tors. theta energy: -147.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1684.359480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.359480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.359480 (E_RNA) where: Base-Base interactions energy: -1215.403 where: short stacking energy: -540.895 Base-Backbone interact. energy: 1.907 local terms energy: -470.863775 where: bonds (distance) C4'-P energy: -89.640 bonds (distance) P-C4' energy: -76.583 flat angles C4'-P-C4' energy: -107.771 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -144.609 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: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1618.136942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.136942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.136942 (E_RNA) where: Base-Base interactions energy: -1121.949 where: short stacking energy: -547.862 Base-Backbone interact. energy: -0.675 local terms energy: -495.512912 where: bonds (distance) C4'-P energy: -84.720 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -98.640 flat angles P-C4'-P energy: -70.128 tors. eta vs tors. theta energy: -145.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1555.088004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.088004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.088004 (E_RNA) where: Base-Base interactions energy: -1090.259 where: short stacking energy: -515.905 Base-Backbone interact. energy: 0.927 local terms energy: -465.756259 where: bonds (distance) C4'-P energy: -87.065 bonds (distance) P-C4' energy: -76.197 flat angles C4'-P-C4' energy: -98.742 flat angles P-C4'-P energy: -64.709 tors. eta vs tors. theta energy: -139.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1471.402967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.402967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.402967 (E_RNA) where: Base-Base interactions energy: -1054.762 where: short stacking energy: -479.267 Base-Backbone interact. energy: -0.492 local terms energy: -416.148354 where: bonds (distance) C4'-P energy: -64.540 bonds (distance) P-C4' energy: -83.684 flat angles C4'-P-C4' energy: -78.042 flat angles P-C4'-P energy: -67.366 tors. eta vs tors. theta energy: -122.516 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: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1089.712066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.712066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.712066 (E_RNA) where: Base-Base interactions energy: -755.485 where: short stacking energy: -378.510 Base-Backbone interact. energy: -2.489 local terms energy: -331.738525 where: bonds (distance) C4'-P energy: -68.972 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -76.658 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -77.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1974.152045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.152045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.152045 (E_RNA) where: Base-Base interactions energy: -1401.283 where: short stacking energy: -636.175 Base-Backbone interact. energy: -1.757 local terms energy: -571.111845 where: bonds (distance) C4'-P energy: -96.175 bonds (distance) P-C4' energy: -100.906 flat angles C4'-P-C4' energy: -114.722 flat angles P-C4'-P energy: -84.715 tors. eta vs tors. theta energy: -174.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1867.417448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.417448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.417448 (E_RNA) where: Base-Base interactions energy: -1327.030 where: short stacking energy: -608.894 Base-Backbone interact. energy: -3.631 local terms energy: -536.756115 where: bonds (distance) C4'-P energy: -89.095 bonds (distance) P-C4' energy: -100.238 flat angles C4'-P-C4' energy: -106.302 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -162.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1847.380770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.380770 (E_RNA) where: Base-Base interactions energy: -1306.702 where: short stacking energy: -595.313 Base-Backbone interact. energy: -3.889 local terms energy: -536.789960 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -96.206 flat angles C4'-P-C4' energy: -107.906 flat angles P-C4'-P energy: -80.178 tors. eta vs tors. theta energy: -160.664 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: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1771.616683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.616683 (E_RNA) where: Base-Base interactions energy: -1265.043 where: short stacking energy: -565.323 Base-Backbone interact. energy: -3.951 local terms energy: -502.622482 where: bonds (distance) C4'-P energy: -85.597 bonds (distance) P-C4' energy: -93.678 flat angles C4'-P-C4' energy: -105.351 flat angles P-C4'-P energy: -67.959 tors. eta vs tors. theta energy: -150.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1725.943118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.943118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.943118 (E_RNA) where: Base-Base interactions energy: -1235.351 where: short stacking energy: -545.849 Base-Backbone interact. energy: -2.101 local terms energy: -488.490919 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -87.507 flat angles C4'-P-C4' energy: -105.155 flat angles P-C4'-P energy: -66.206 tors. eta vs tors. theta energy: -144.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1673.732569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.732569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.732569 (E_RNA) where: Base-Base interactions energy: -1202.905 where: short stacking energy: -537.626 Base-Backbone interact. energy: -1.077 local terms energy: -469.750657 where: bonds (distance) C4'-P energy: -86.619 bonds (distance) P-C4' energy: -89.195 flat angles C4'-P-C4' energy: -97.376 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -141.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1619.741053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.741053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.741053 (E_RNA) where: Base-Base interactions energy: -1162.694 where: short stacking energy: -521.102 Base-Backbone interact. energy: -0.143 local terms energy: -456.904527 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -73.062 flat angles C4'-P-C4' energy: -103.566 flat angles P-C4'-P energy: -66.921 tors. eta vs tors. theta energy: -148.207 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: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1573.971085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.971085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.971085 (E_RNA) where: Base-Base interactions energy: -1124.410 where: short stacking energy: -549.586 Base-Backbone interact. energy: -1.427 local terms energy: -448.134158 where: bonds (distance) C4'-P energy: -84.579 bonds (distance) P-C4' energy: -70.383 flat angles C4'-P-C4' energy: -83.943 flat angles P-C4'-P energy: -63.012 tors. eta vs tors. theta energy: -146.217 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: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1513.066429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.066429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.066429 (E_RNA) where: Base-Base interactions energy: -1089.403 where: short stacking energy: -518.153 Base-Backbone interact. energy: 3.567 local terms energy: -427.231394 where: bonds (distance) C4'-P energy: -73.377 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -93.726 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: -133.990 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: 367 Temperature: 1.350000 Total energy: -1188.822402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.822402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.822402 (E_RNA) where: Base-Base interactions energy: -826.428 where: short stacking energy: -395.628 Base-Backbone interact. energy: -1.210 local terms energy: -361.184286 where: bonds (distance) C4'-P energy: -76.230 bonds (distance) P-C4' energy: -64.698 flat angles C4'-P-C4' energy: -89.331 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -88.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1962.455402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.455402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.455402 (E_RNA) where: Base-Base interactions energy: -1418.098 where: short stacking energy: -624.825 Base-Backbone interact. energy: 0.564 local terms energy: -544.920664 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -99.142 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -167.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1880.819832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.819832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.819832 (E_RNA) where: Base-Base interactions energy: -1354.090 where: short stacking energy: -617.852 Base-Backbone interact. energy: -2.247 local terms energy: -524.482556 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -89.506 flat angles C4'-P-C4' energy: -107.198 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -166.742 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: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1836.199335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.199335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.199335 (E_RNA) where: Base-Base interactions energy: -1319.112 where: short stacking energy: -592.406 Base-Backbone interact. energy: -2.819 local terms energy: -514.267847 where: bonds (distance) C4'-P energy: -92.541 bonds (distance) P-C4' energy: -85.920 flat angles C4'-P-C4' energy: -115.331 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -155.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1784.178863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.178863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.178863 (E_RNA) where: Base-Base interactions energy: -1273.427 where: short stacking energy: -556.891 Base-Backbone interact. energy: -2.891 local terms energy: -507.861000 where: bonds (distance) C4'-P energy: -89.078 bonds (distance) P-C4' energy: -100.214 flat angles C4'-P-C4' energy: -105.865 flat angles P-C4'-P energy: -57.490 tors. eta vs tors. theta energy: -155.214 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: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1758.849282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.849282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.849282 (E_RNA) where: Base-Base interactions energy: -1258.976 where: short stacking energy: -562.445 Base-Backbone interact. energy: -2.478 local terms energy: -497.395382 where: bonds (distance) C4'-P energy: -77.262 bonds (distance) P-C4' energy: -84.790 flat angles C4'-P-C4' energy: -107.847 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: -154.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1698.962533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.962533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.962533 (E_RNA) where: Base-Base interactions energy: -1223.894 where: short stacking energy: -560.179 Base-Backbone interact. energy: -0.354 local terms energy: -474.714808 where: bonds (distance) C4'-P energy: -80.544 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -103.473 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -152.441 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: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1615.344365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.344365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.344365 (E_RNA) where: Base-Base interactions energy: -1153.001 where: short stacking energy: -523.580 Base-Backbone interact. energy: -1.972 local terms energy: -460.371352 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -88.863 flat angles C4'-P-C4' energy: -100.588 flat angles P-C4'-P energy: -57.810 tors. eta vs tors. theta energy: -145.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1534.035649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.035649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.035649 (E_RNA) where: Base-Base interactions energy: -1109.840 where: short stacking energy: -519.408 Base-Backbone interact. energy: -1.485 local terms energy: -422.710166 where: bonds (distance) C4'-P energy: -68.305 bonds (distance) P-C4' energy: -67.466 flat angles C4'-P-C4' energy: -94.683 flat angles P-C4'-P energy: -58.784 tors. eta vs tors. theta energy: -133.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1504.164714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.164714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.164714 (E_RNA) where: Base-Base interactions energy: -1082.917 where: short stacking energy: -489.058 Base-Backbone interact. energy: -1.801 local terms energy: -419.447125 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -70.283 flat angles C4'-P-C4' energy: -95.598 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -136.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1156.088733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.088733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.088733 (E_RNA) where: Base-Base interactions energy: -798.158 where: short stacking energy: -378.235 Base-Backbone interact. energy: -0.446 local terms energy: -357.484469 where: bonds (distance) C4'-P energy: -74.312 bonds (distance) P-C4' energy: -67.525 flat angles C4'-P-C4' energy: -83.818 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -81.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1958.570479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.570479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.570479 (E_RNA) where: Base-Base interactions energy: -1421.372 where: short stacking energy: -622.917 Base-Backbone interact. energy: -1.304 local terms energy: -535.894496 where: bonds (distance) C4'-P energy: -90.307 bonds (distance) P-C4' energy: -87.825 flat angles C4'-P-C4' energy: -112.909 flat angles P-C4'-P energy: -82.305 tors. eta vs tors. theta energy: -162.548 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: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1868.031241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.031241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.031241 (E_RNA) where: Base-Base interactions energy: -1340.773 where: short stacking energy: -617.856 Base-Backbone interact. energy: -1.042 local terms energy: -526.216661 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -94.040 flat angles C4'-P-C4' energy: -110.752 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -163.656 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: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1853.049082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.049082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.049082 (E_RNA) where: Base-Base interactions energy: -1328.573 where: short stacking energy: -592.871 Base-Backbone interact. energy: -2.729 local terms energy: -521.746965 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -92.889 flat angles C4'-P-C4' energy: -101.724 flat angles P-C4'-P energy: -79.698 tors. eta vs tors. theta energy: -157.790 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: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1790.095108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.095108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.095108 (E_RNA) where: Base-Base interactions energy: -1299.274 where: short stacking energy: -592.588 Base-Backbone interact. energy: 2.266 local terms energy: -493.087350 where: bonds (distance) C4'-P energy: -80.181 bonds (distance) P-C4' energy: -81.130 flat angles C4'-P-C4' energy: -106.886 flat angles P-C4'-P energy: -69.856 tors. eta vs tors. theta energy: -155.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1782.844029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.844029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.844029 (E_RNA) where: Base-Base interactions energy: -1281.194 where: short stacking energy: -575.021 Base-Backbone interact. energy: -1.543 local terms energy: -500.106807 where: bonds (distance) C4'-P energy: -97.189 bonds (distance) P-C4' energy: -69.876 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -73.221 tors. eta vs tors. theta energy: -153.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1727.136968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.136968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.136968 (E_RNA) where: Base-Base interactions energy: -1233.842 where: short stacking energy: -582.542 Base-Backbone interact. energy: -1.466 local terms energy: -491.828835 where: bonds (distance) C4'-P energy: -89.526 bonds (distance) P-C4' energy: -93.957 flat angles C4'-P-C4' energy: -93.126 flat angles P-C4'-P energy: -63.164 tors. eta vs tors. theta energy: -152.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1639.500680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.500680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.500680 (E_RNA) where: Base-Base interactions energy: -1160.979 where: short stacking energy: -532.219 Base-Backbone interact. energy: -2.456 local terms energy: -476.065179 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -81.162 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -62.939 tors. eta vs tors. theta energy: -153.281 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: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1554.877173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.877173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.877173 (E_RNA) where: Base-Base interactions energy: -1111.120 where: short stacking energy: -506.214 Base-Backbone interact. energy: -0.753 local terms energy: -443.004144 where: bonds (distance) C4'-P energy: -85.116 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -91.560 flat angles P-C4'-P energy: -64.090 tors. eta vs tors. theta energy: -128.944 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: 369 Temperature: 1.300000 Total energy: -1514.728177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.728177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.728177 (E_RNA) where: Base-Base interactions energy: -1093.410 where: short stacking energy: -494.796 Base-Backbone interact. energy: -1.388 local terms energy: -419.929938 where: bonds (distance) C4'-P energy: -69.307 bonds (distance) P-C4' energy: -82.316 flat angles C4'-P-C4' energy: -93.001 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -133.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1262.009522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.009522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.009522 (E_RNA) where: Base-Base interactions energy: -903.069 where: short stacking energy: -427.770 Base-Backbone interact. energy: -2.810 local terms energy: -356.130734 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -62.959 flat angles C4'-P-C4' energy: -79.449 flat angles P-C4'-P energy: -52.868 tors. eta vs tors. theta energy: -102.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1971.381438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.381438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.381438 (E_RNA) where: Base-Base interactions energy: -1407.249 where: short stacking energy: -637.897 Base-Backbone interact. energy: -3.872 local terms energy: -560.260174 where: bonds (distance) C4'-P energy: -88.875 bonds (distance) P-C4' energy: -100.270 flat angles C4'-P-C4' energy: -115.898 flat angles P-C4'-P energy: -81.200 tors. eta vs tors. theta energy: -174.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1862.561985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.561985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.561985 (E_RNA) where: Base-Base interactions energy: -1325.045 where: short stacking energy: -595.430 Base-Backbone interact. energy: -1.010 local terms energy: -536.506983 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -114.643 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: -162.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1844.981560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.981560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.981560 (E_RNA) where: Base-Base interactions energy: -1328.348 where: short stacking energy: -612.081 Base-Backbone interact. energy: -4.004 local terms energy: -512.629564 where: bonds (distance) C4'-P energy: -76.637 bonds (distance) P-C4' energy: -99.319 flat angles C4'-P-C4' energy: -108.416 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -162.210 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: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1777.210457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.210457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.210457 (E_RNA) where: Base-Base interactions energy: -1273.719 where: short stacking energy: -565.464 Base-Backbone interact. energy: -1.155 local terms energy: -502.335694 where: bonds (distance) C4'-P energy: -85.762 bonds (distance) P-C4' energy: -95.654 flat angles C4'-P-C4' energy: -103.060 flat angles P-C4'-P energy: -65.981 tors. eta vs tors. theta energy: -151.879 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: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1755.505682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.505682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.505682 (E_RNA) where: Base-Base interactions energy: -1276.496 where: short stacking energy: -571.911 Base-Backbone interact. energy: 0.552 local terms energy: -479.561233 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -80.015 flat angles C4'-P-C4' energy: -108.213 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -150.985 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: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1711.460756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.460756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.460756 (E_RNA) where: Base-Base interactions energy: -1207.408 where: short stacking energy: -547.299 Base-Backbone interact. energy: -1.961 local terms energy: -502.091287 where: bonds (distance) C4'-P energy: -88.585 bonds (distance) P-C4' energy: -88.454 flat angles C4'-P-C4' energy: -107.925 flat angles P-C4'-P energy: -70.653 tors. eta vs tors. theta energy: -146.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1645.081441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.081441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.081441 (E_RNA) where: Base-Base interactions energy: -1194.758 where: short stacking energy: -550.858 Base-Backbone interact. energy: -1.273 local terms energy: -449.050780 where: bonds (distance) C4'-P energy: -74.467 bonds (distance) P-C4' energy: -66.461 flat angles C4'-P-C4' energy: -97.135 flat angles P-C4'-P energy: -54.790 tors. eta vs tors. theta energy: -156.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1589.914931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.914931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.914931 (E_RNA) where: Base-Base interactions energy: -1120.326 where: short stacking energy: -528.820 Base-Backbone interact. energy: -0.641 local terms energy: -468.947631 where: bonds (distance) C4'-P energy: -74.853 bonds (distance) P-C4' energy: -91.345 flat angles C4'-P-C4' energy: -101.307 flat angles P-C4'-P energy: -59.345 tors. eta vs tors. theta energy: -142.097 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: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1474.244499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.244499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.244499 (E_RNA) where: Base-Base interactions energy: -1040.976 where: short stacking energy: -464.045 Base-Backbone interact. energy: -0.109 local terms energy: -433.159141 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -84.899 flat angles C4'-P-C4' energy: -85.919 flat angles P-C4'-P energy: -60.132 tors. eta vs tors. theta energy: -127.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1158.493438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.493438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.493438 (E_RNA) where: Base-Base interactions energy: -792.938 where: short stacking energy: -393.786 Base-Backbone interact. energy: -3.295 local terms energy: -362.260327 where: bonds (distance) C4'-P energy: -61.390 bonds (distance) P-C4' energy: -89.839 flat angles C4'-P-C4' energy: -86.819 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: -85.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1970.149929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.149929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.149929 (E_RNA) where: Base-Base interactions energy: -1407.489 where: short stacking energy: -637.499 Base-Backbone interact. energy: -2.204 local terms energy: -560.457233 where: bonds (distance) C4'-P energy: -100.098 bonds (distance) P-C4' energy: -91.796 flat angles C4'-P-C4' energy: -114.959 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -168.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1864.959183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.959183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.959183 (E_RNA) where: Base-Base interactions energy: -1328.763 where: short stacking energy: -603.859 Base-Backbone interact. energy: -2.766 local terms energy: -533.429871 where: bonds (distance) C4'-P energy: -97.010 bonds (distance) P-C4' energy: -96.071 flat angles C4'-P-C4' energy: -112.381 flat angles P-C4'-P energy: -67.712 tors. eta vs tors. theta energy: -160.255 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: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1825.515438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.515438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.515438 (E_RNA) where: Base-Base interactions energy: -1335.225 where: short stacking energy: -594.556 Base-Backbone interact. energy: -1.151 local terms energy: -489.138870 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -71.414 flat angles C4'-P-C4' energy: -110.067 flat angles P-C4'-P energy: -74.634 tors. eta vs tors. theta energy: -156.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1762.940322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.940322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.940322 (E_RNA) where: Base-Base interactions energy: -1258.414 where: short stacking energy: -582.321 Base-Backbone interact. energy: -0.113 local terms energy: -504.413170 where: bonds (distance) C4'-P energy: -87.892 bonds (distance) P-C4' energy: -98.399 flat angles C4'-P-C4' energy: -97.297 flat angles P-C4'-P energy: -70.835 tors. eta vs tors. theta energy: -149.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1750.645512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.645512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.645512 (E_RNA) where: Base-Base interactions energy: -1248.364 where: short stacking energy: -554.635 Base-Backbone interact. energy: -1.469 local terms energy: -500.812176 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -91.751 flat angles C4'-P-C4' energy: -104.370 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -149.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1689.552503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.552503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.552503 (E_RNA) where: Base-Base interactions energy: -1218.971 where: short stacking energy: -526.207 Base-Backbone interact. energy: -1.609 local terms energy: -468.972067 where: bonds (distance) C4'-P energy: -88.906 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -98.573 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -146.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1653.056629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.056629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.056629 (E_RNA) where: Base-Base interactions energy: -1170.972 where: short stacking energy: -542.638 Base-Backbone interact. energy: -0.208 local terms energy: -481.876723 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -83.925 flat angles C4'-P-C4' energy: -103.334 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -149.843 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: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1555.101900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.101900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.101900 (E_RNA) where: Base-Base interactions energy: -1103.526 where: short stacking energy: -499.880 Base-Backbone interact. energy: 0.905 local terms energy: -452.480919 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -72.332 flat angles C4'-P-C4' energy: -93.555 flat angles P-C4'-P energy: -68.471 tors. eta vs tors. theta energy: -140.348 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: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1446.446541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.446541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.446541 (E_RNA) where: Base-Base interactions energy: -1031.466 where: short stacking energy: -469.056 Base-Backbone interact. energy: 2.575 local terms energy: -417.555221 where: bonds (distance) C4'-P energy: -74.982 bonds (distance) P-C4' energy: -64.531 flat angles C4'-P-C4' energy: -90.282 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -126.210 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: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1196.114933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.114933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.114933 (E_RNA) where: Base-Base interactions energy: -832.484 where: short stacking energy: -367.446 Base-Backbone interact. energy: -0.341 local terms energy: -363.290362 where: bonds (distance) C4'-P energy: -71.824 bonds (distance) P-C4' energy: -77.334 flat angles C4'-P-C4' energy: -83.874 flat angles P-C4'-P energy: -43.292 tors. eta vs tors. theta energy: -86.967 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: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1973.010835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.010835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.010835 (E_RNA) where: Base-Base interactions energy: -1425.333 where: short stacking energy: -626.372 Base-Backbone interact. energy: -0.775 local terms energy: -546.903445 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -96.864 flat angles C4'-P-C4' energy: -118.084 flat angles P-C4'-P energy: -64.198 tors. eta vs tors. theta energy: -174.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1849.337037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.337037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.337037 (E_RNA) where: Base-Base interactions energy: -1329.332 where: short stacking energy: -610.721 Base-Backbone interact. energy: -0.885 local terms energy: -519.119089 where: bonds (distance) C4'-P energy: -94.471 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -109.056 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -161.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1809.684775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.684775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.684775 (E_RNA) where: Base-Base interactions energy: -1310.408 where: short stacking energy: -594.960 Base-Backbone interact. energy: -0.213 local terms energy: -499.063839 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -80.150 flat angles C4'-P-C4' energy: -114.297 flat angles P-C4'-P energy: -65.698 tors. eta vs tors. theta energy: -157.202 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: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1770.239727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.239727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.239727 (E_RNA) where: Base-Base interactions energy: -1276.558 where: short stacking energy: -590.922 Base-Backbone interact. energy: -3.843 local terms energy: -489.838584 where: bonds (distance) C4'-P energy: -82.949 bonds (distance) P-C4' energy: -68.999 flat angles C4'-P-C4' energy: -102.712 flat angles P-C4'-P energy: -77.285 tors. eta vs tors. theta energy: -157.895 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: 372 Temperature: 1.100000 Total energy: -1734.837108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.837108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.837108 (E_RNA) where: Base-Base interactions energy: -1259.460 where: short stacking energy: -557.922 Base-Backbone interact. energy: -1.591 local terms energy: -473.786611 where: bonds (distance) C4'-P energy: -85.731 bonds (distance) P-C4' energy: -76.814 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: -146.526 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: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1701.063981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.063981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.063981 (E_RNA) where: Base-Base interactions energy: -1239.915 where: short stacking energy: -570.803 Base-Backbone interact. energy: 2.499 local terms energy: -463.648662 where: bonds (distance) C4'-P energy: -76.120 bonds (distance) P-C4' energy: -78.058 flat angles C4'-P-C4' energy: -96.559 flat angles P-C4'-P energy: -65.614 tors. eta vs tors. theta energy: -147.297 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: 372 Temperature: 1.200000 Total energy: -1659.524483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.524483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.524483 (E_RNA) where: Base-Base interactions energy: -1181.034 where: short stacking energy: -556.512 Base-Backbone interact. energy: -0.419 local terms energy: -478.071512 where: bonds (distance) C4'-P energy: -83.560 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -92.646 flat angles P-C4'-P energy: -66.100 tors. eta vs tors. theta energy: -146.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1564.157474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.157474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.157474 (E_RNA) where: Base-Base interactions energy: -1102.129 where: short stacking energy: -540.518 Base-Backbone interact. energy: 1.013 local terms energy: -463.041269 where: bonds (distance) C4'-P energy: -72.523 bonds (distance) P-C4' energy: -77.047 flat angles C4'-P-C4' energy: -97.286 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -150.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1458.140129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.140129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.140129 (E_RNA) where: Base-Base interactions energy: -1034.215 where: short stacking energy: -491.723 Base-Backbone interact. energy: 3.668 local terms energy: -427.593399 where: bonds (distance) C4'-P energy: -75.464 bonds (distance) P-C4' energy: -68.794 flat angles C4'-P-C4' energy: -87.452 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -135.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1192.971409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.971409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.971409 (E_RNA) where: Base-Base interactions energy: -860.685 where: short stacking energy: -395.941 Base-Backbone interact. energy: 1.983 local terms energy: -334.268550 where: bonds (distance) C4'-P energy: -69.073 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -87.781 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: -85.058 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: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1984.964693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.964693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.964693 (E_RNA) where: Base-Base interactions energy: -1423.091 where: short stacking energy: -630.491 Base-Backbone interact. energy: -2.318 local terms energy: -559.555077 where: bonds (distance) C4'-P energy: -97.589 bonds (distance) P-C4' energy: -90.569 flat angles C4'-P-C4' energy: -115.930 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: -175.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1868.926593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.926593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.926593 (E_RNA) where: Base-Base interactions energy: -1311.580 where: short stacking energy: -581.819 Base-Backbone interact. energy: -1.376 local terms energy: -555.970043 where: bonds (distance) C4'-P energy: -102.062 bonds (distance) P-C4' energy: -96.867 flat angles C4'-P-C4' energy: -117.612 flat angles P-C4'-P energy: -81.285 tors. eta vs tors. theta energy: -158.144 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: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1854.732998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.732998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.732998 (E_RNA) where: Base-Base interactions energy: -1322.932 where: short stacking energy: -620.018 Base-Backbone interact. energy: -2.767 local terms energy: -529.033584 where: bonds (distance) C4'-P energy: -100.425 bonds (distance) P-C4' energy: -80.605 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -78.183 tors. eta vs tors. theta energy: -161.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1787.856999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.856999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.856999 (E_RNA) where: Base-Base interactions energy: -1279.786 where: short stacking energy: -590.372 Base-Backbone interact. energy: -1.061 local terms energy: -507.010070 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -82.508 flat angles C4'-P-C4' energy: -101.726 flat angles P-C4'-P energy: -73.325 tors. eta vs tors. theta energy: -158.717 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: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1754.471218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.471218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.471218 (E_RNA) where: Base-Base interactions energy: -1248.099 where: short stacking energy: -554.102 Base-Backbone interact. energy: -1.543 local terms energy: -504.829511 where: bonds (distance) C4'-P energy: -81.606 bonds (distance) P-C4' energy: -99.317 flat angles C4'-P-C4' energy: -102.612 flat angles P-C4'-P energy: -66.782 tors. eta vs tors. theta energy: -154.512 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: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1696.450509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.450509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.450509 (E_RNA) where: Base-Base interactions energy: -1216.045 where: short stacking energy: -545.614 Base-Backbone interact. energy: -1.666 local terms energy: -478.740200 where: bonds (distance) C4'-P energy: -84.422 bonds (distance) P-C4' energy: -69.568 flat angles C4'-P-C4' energy: -104.472 flat angles P-C4'-P energy: -66.065 tors. eta vs tors. theta energy: -154.213 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: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1661.942418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.942418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.942418 (E_RNA) where: Base-Base interactions energy: -1195.311 where: short stacking energy: -520.988 Base-Backbone interact. energy: -0.810 local terms energy: -465.821326 where: bonds (distance) C4'-P energy: -81.682 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -106.493 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -148.061 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: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1567.626711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.626711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.626711 (E_RNA) where: Base-Base interactions energy: -1110.946 where: short stacking energy: -514.867 Base-Backbone interact. energy: -1.184 local terms energy: -455.497284 where: bonds (distance) C4'-P energy: -66.358 bonds (distance) P-C4' energy: -86.046 flat angles C4'-P-C4' energy: -93.446 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: -139.407 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: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1479.244828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.244828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.244828 (E_RNA) where: Base-Base interactions energy: -1031.540 where: short stacking energy: -483.416 Base-Backbone interact. energy: -1.071 local terms energy: -446.633844 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -91.518 flat angles C4'-P-C4' energy: -100.601 flat angles P-C4'-P energy: -60.753 tors. eta vs tors. theta energy: -128.688 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: 373 Temperature: 1.350000 Total energy: -1149.787690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.787690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.787690 (E_RNA) where: Base-Base interactions energy: -785.913 where: short stacking energy: -398.986 Base-Backbone interact. energy: -1.624 local terms energy: -362.250245 where: bonds (distance) C4'-P energy: -78.478 bonds (distance) P-C4' energy: -59.289 flat angles C4'-P-C4' energy: -76.567 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -96.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1979.689179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.689179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.689179 (E_RNA) where: Base-Base interactions energy: -1413.824 where: short stacking energy: -636.223 Base-Backbone interact. energy: -2.218 local terms energy: -563.646836 where: bonds (distance) C4'-P energy: -103.693 bonds (distance) P-C4' energy: -92.566 flat angles C4'-P-C4' energy: -116.064 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -170.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1864.531596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.531596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.531596 (E_RNA) where: Base-Base interactions energy: -1334.033 where: short stacking energy: -596.301 Base-Backbone interact. energy: -3.773 local terms energy: -526.725530 where: bonds (distance) C4'-P energy: -95.727 bonds (distance) P-C4' energy: -97.311 flat angles C4'-P-C4' energy: -104.106 flat angles P-C4'-P energy: -74.367 tors. eta vs tors. theta energy: -155.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1829.524583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.524583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.524583 (E_RNA) where: Base-Base interactions energy: -1306.769 where: short stacking energy: -600.063 Base-Backbone interact. energy: -4.208 local terms energy: -518.548189 where: bonds (distance) C4'-P energy: -93.175 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -107.152 flat angles P-C4'-P energy: -75.781 tors. eta vs tors. theta energy: -157.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1777.303928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.303928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.303928 (E_RNA) where: Base-Base interactions energy: -1289.652 where: short stacking energy: -584.867 Base-Backbone interact. energy: -0.847 local terms energy: -486.804098 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -69.659 flat angles C4'-P-C4' energy: -105.655 flat angles P-C4'-P energy: -68.439 tors. eta vs tors. theta energy: -153.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1750.920784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.920784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.920784 (E_RNA) where: Base-Base interactions energy: -1259.200 where: short stacking energy: -584.475 Base-Backbone interact. energy: -1.589 local terms energy: -490.131180 where: bonds (distance) C4'-P energy: -75.699 bonds (distance) P-C4' energy: -79.453 flat angles C4'-P-C4' energy: -103.521 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -156.661 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: 374 Temperature: 1.150000 Total energy: -1724.766128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.766128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.766128 (E_RNA) where: Base-Base interactions energy: -1245.565 where: short stacking energy: -541.759 Base-Backbone interact. energy: -1.627 local terms energy: -477.573948 where: bonds (distance) C4'-P energy: -93.565 bonds (distance) P-C4' energy: -72.768 flat angles C4'-P-C4' energy: -105.443 flat angles P-C4'-P energy: -57.788 tors. eta vs tors. theta energy: -148.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1654.114830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.114830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.114830 (E_RNA) where: Base-Base interactions energy: -1216.748 where: short stacking energy: -532.115 Base-Backbone interact. energy: -1.179 local terms energy: -436.188143 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -67.473 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -148.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1563.182566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.182566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.182566 (E_RNA) where: Base-Base interactions energy: -1100.857 where: short stacking energy: -518.349 Base-Backbone interact. energy: -0.893 local terms energy: -461.432316 where: bonds (distance) C4'-P energy: -93.571 bonds (distance) P-C4' energy: -81.008 flat angles C4'-P-C4' energy: -90.019 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -133.749 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: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1435.103800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.103800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.103800 (E_RNA) where: Base-Base interactions energy: -1007.785 where: short stacking energy: -471.595 Base-Backbone interact. energy: -2.016 local terms energy: -425.303531 where: bonds (distance) C4'-P energy: -73.899 bonds (distance) P-C4' energy: -73.251 flat angles C4'-P-C4' energy: -93.144 flat angles P-C4'-P energy: -60.226 tors. eta vs tors. theta energy: -124.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1101.514129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.514129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.514129 (E_RNA) where: Base-Base interactions energy: -789.576 where: short stacking energy: -347.896 Base-Backbone interact. energy: -2.060 local terms energy: -309.877823 where: bonds (distance) C4'-P energy: -70.087 bonds (distance) P-C4' energy: -67.958 flat angles C4'-P-C4' energy: -82.951 flat angles P-C4'-P energy: -18.777 tors. eta vs tors. theta energy: -70.105 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: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1968.421295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.421295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.421295 (E_RNA) where: Base-Base interactions energy: -1404.454 where: short stacking energy: -641.465 Base-Backbone interact. energy: -1.289 local terms energy: -562.677962 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -99.920 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -81.432 tors. eta vs tors. theta energy: -176.940 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: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1876.056487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.056487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.056487 (E_RNA) where: Base-Base interactions energy: -1345.455 where: short stacking energy: -597.010 Base-Backbone interact. energy: -1.970 local terms energy: -528.631711 where: bonds (distance) C4'-P energy: -87.374 bonds (distance) P-C4' energy: -99.833 flat angles C4'-P-C4' energy: -113.350 flat angles P-C4'-P energy: -71.163 tors. eta vs tors. theta energy: -156.912 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: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1812.237410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.237410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.237410 (E_RNA) where: Base-Base interactions energy: -1291.456 where: short stacking energy: -589.240 Base-Backbone interact. energy: -2.475 local terms energy: -518.306853 where: bonds (distance) C4'-P energy: -93.056 bonds (distance) P-C4' energy: -80.381 flat angles C4'-P-C4' energy: -110.172 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -166.785 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: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1785.407902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.407902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.407902 (E_RNA) where: Base-Base interactions energy: -1279.273 where: short stacking energy: -579.377 Base-Backbone interact. energy: -0.793 local terms energy: -505.342006 where: bonds (distance) C4'-P energy: -78.243 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -158.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1736.552056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.552056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.552056 (E_RNA) where: Base-Base interactions energy: -1272.700 where: short stacking energy: -577.540 Base-Backbone interact. energy: -1.245 local terms energy: -462.606806 where: bonds (distance) C4'-P energy: -55.361 bonds (distance) P-C4' energy: -77.137 flat angles C4'-P-C4' energy: -109.604 flat angles P-C4'-P energy: -65.027 tors. eta vs tors. theta energy: -155.477 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: 375 Temperature: 1.150000 Total energy: -1720.938832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.938832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.938832 (E_RNA) where: Base-Base interactions energy: -1223.862 where: short stacking energy: -551.970 Base-Backbone interact. energy: -2.268 local terms energy: -494.808590 where: bonds (distance) C4'-P energy: -81.783 bonds (distance) P-C4' energy: -88.296 flat angles C4'-P-C4' energy: -108.905 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: -150.014 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: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1703.173733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.173733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.173733 (E_RNA) where: Base-Base interactions energy: -1203.412 where: short stacking energy: -566.170 Base-Backbone interact. energy: -1.118 local terms energy: -498.643767 where: bonds (distance) C4'-P energy: -74.614 bonds (distance) P-C4' energy: -87.397 flat angles C4'-P-C4' energy: -112.902 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: -159.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1591.476562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.476562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.476562 (E_RNA) where: Base-Base interactions energy: -1125.283 where: short stacking energy: -522.633 Base-Backbone interact. energy: -0.454 local terms energy: -465.739866 where: bonds (distance) C4'-P energy: -77.192 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -108.769 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: -144.638 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: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1410.610832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.610832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.610832 (E_RNA) where: Base-Base interactions energy: -1018.800 where: short stacking energy: -455.145 Base-Backbone interact. energy: -1.316 local terms energy: -390.495117 where: bonds (distance) C4'-P energy: -86.220 bonds (distance) P-C4' energy: -48.426 flat angles C4'-P-C4' energy: -85.548 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -112.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1044.828120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.828120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.828120 (E_RNA) where: Base-Base interactions energy: -714.142 where: short stacking energy: -335.463 Base-Backbone interact. energy: 2.087 local terms energy: -332.772659 where: bonds (distance) C4'-P energy: -77.190 bonds (distance) P-C4' energy: -64.031 flat angles C4'-P-C4' energy: -83.936 flat angles P-C4'-P energy: -39.385 tors. eta vs tors. theta energy: -68.230 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: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1980.294335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.294335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.294335 (E_RNA) where: Base-Base interactions energy: -1411.791 where: short stacking energy: -629.372 Base-Backbone interact. energy: -2.738 local terms energy: -565.764937 where: bonds (distance) C4'-P energy: -104.183 bonds (distance) P-C4' energy: -99.260 flat angles C4'-P-C4' energy: -107.513 flat angles P-C4'-P energy: -80.709 tors. eta vs tors. theta energy: -174.101 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: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1860.939261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.939261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.939261 (E_RNA) where: Base-Base interactions energy: -1337.420 where: short stacking energy: -604.473 Base-Backbone interact. energy: 1.752 local terms energy: -525.270917 where: bonds (distance) C4'-P energy: -90.507 bonds (distance) P-C4' energy: -97.000 flat angles C4'-P-C4' energy: -107.298 flat angles P-C4'-P energy: -74.082 tors. eta vs tors. theta energy: -156.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1816.122416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.122416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.122416 (E_RNA) where: Base-Base interactions energy: -1317.061 where: short stacking energy: -580.874 Base-Backbone interact. energy: -2.914 local terms energy: -496.147013 where: bonds (distance) C4'-P energy: -88.496 bonds (distance) P-C4' energy: -83.163 flat angles C4'-P-C4' energy: -102.757 flat angles P-C4'-P energy: -64.730 tors. eta vs tors. theta energy: -157.001 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: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1764.383647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.383647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.383647 (E_RNA) where: Base-Base interactions energy: -1264.596 where: short stacking energy: -579.157 Base-Backbone interact. energy: -3.267 local terms energy: -496.520965 where: bonds (distance) C4'-P energy: -79.241 bonds (distance) P-C4' energy: -83.832 flat angles C4'-P-C4' energy: -108.635 flat angles P-C4'-P energy: -67.622 tors. eta vs tors. theta energy: -157.191 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: 376 Temperature: 1.100000 Total energy: -1738.930882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.930882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.930882 (E_RNA) where: Base-Base interactions energy: -1260.637 where: short stacking energy: -563.455 Base-Backbone interact. energy: -0.030 local terms energy: -478.263815 where: bonds (distance) C4'-P energy: -85.814 bonds (distance) P-C4' energy: -82.381 flat angles C4'-P-C4' energy: -101.253 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -154.342 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: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1689.919736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.919736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.919736 (E_RNA) where: Base-Base interactions energy: -1197.220 where: short stacking energy: -553.004 Base-Backbone interact. energy: 1.743 local terms energy: -494.443317 where: bonds (distance) C4'-P energy: -89.689 bonds (distance) P-C4' energy: -83.533 flat angles C4'-P-C4' energy: -107.135 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -150.061 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: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1726.612159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.612159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.612159 (E_RNA) where: Base-Base interactions energy: -1243.840 where: short stacking energy: -566.553 Base-Backbone interact. energy: -1.560 local terms energy: -481.212157 where: bonds (distance) C4'-P energy: -89.949 bonds (distance) P-C4' energy: -72.031 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -150.967 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: 8, replica: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1566.450952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.450952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.450952 (E_RNA) where: Base-Base interactions energy: -1106.102 where: short stacking energy: -536.600 Base-Backbone interact. energy: -1.957 local terms energy: -458.391613 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -71.811 flat angles C4'-P-C4' energy: -102.854 flat angles P-C4'-P energy: -54.320 tors. eta vs tors. theta energy: -145.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1478.813411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.813411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.813411 (E_RNA) where: Base-Base interactions energy: -1073.112 where: short stacking energy: -469.342 Base-Backbone interact. energy: -1.317 local terms energy: -404.384374 where: bonds (distance) C4'-P energy: -60.560 bonds (distance) P-C4' energy: -87.015 flat angles C4'-P-C4' energy: -93.235 flat angles P-C4'-P energy: -39.964 tors. eta vs tors. theta energy: -123.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1005.927593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.927593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.927593 (E_RNA) where: Base-Base interactions energy: -672.203 where: short stacking energy: -320.206 Base-Backbone interact. energy: 2.181 local terms energy: -335.905782 where: bonds (distance) C4'-P energy: -76.933 bonds (distance) P-C4' energy: -78.913 flat angles C4'-P-C4' energy: -68.254 flat angles P-C4'-P energy: -55.008 tors. eta vs tors. theta energy: -56.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1972.884232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.884232 (E_RNA) where: Base-Base interactions energy: -1407.329 where: short stacking energy: -636.831 Base-Backbone interact. energy: -1.152 local terms energy: -564.403550 where: bonds (distance) C4'-P energy: -92.124 bonds (distance) P-C4' energy: -100.606 flat angles C4'-P-C4' energy: -113.128 flat angles P-C4'-P energy: -82.827 tors. eta vs tors. theta energy: -175.718 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: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1848.044659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.044659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.044659 (E_RNA) where: Base-Base interactions energy: -1310.004 where: short stacking energy: -603.198 Base-Backbone interact. energy: -2.111 local terms energy: -535.929129 where: bonds (distance) C4'-P energy: -87.899 bonds (distance) P-C4' energy: -101.908 flat angles C4'-P-C4' energy: -114.599 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -160.380 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: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1824.632007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.632007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.632007 (E_RNA) where: Base-Base interactions energy: -1297.229 where: short stacking energy: -582.397 Base-Backbone interact. energy: -1.699 local terms energy: -525.704588 where: bonds (distance) C4'-P energy: -90.161 bonds (distance) P-C4' energy: -98.801 flat angles C4'-P-C4' energy: -109.539 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -157.289 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: 4, replica: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1783.873041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.873041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.873041 (E_RNA) where: Base-Base interactions energy: -1273.840 where: short stacking energy: -556.769 Base-Backbone interact. energy: -4.498 local terms energy: -505.535255 where: bonds (distance) C4'-P energy: -90.017 bonds (distance) P-C4' energy: -86.522 flat angles C4'-P-C4' energy: -109.990 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -155.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1752.849810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.849810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.849810 (E_RNA) where: Base-Base interactions energy: -1247.346 where: short stacking energy: -553.693 Base-Backbone interact. energy: -0.847 local terms energy: -504.656521 where: bonds (distance) C4'-P energy: -82.360 bonds (distance) P-C4' energy: -90.675 flat angles C4'-P-C4' energy: -108.765 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -151.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1739.630765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.630765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.630765 (E_RNA) where: Base-Base interactions energy: -1250.281 where: short stacking energy: -545.200 Base-Backbone interact. energy: -2.137 local terms energy: -487.212460 where: bonds (distance) C4'-P energy: -84.706 bonds (distance) P-C4' energy: -93.253 flat angles C4'-P-C4' energy: -88.677 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -159.846 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: 377 Temperature: 1.200000 Total energy: -1687.123200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.123200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.123200 (E_RNA) where: Base-Base interactions energy: -1199.097 where: short stacking energy: -542.397 Base-Backbone interact. energy: -1.653 local terms energy: -486.372694 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -81.888 flat angles C4'-P-C4' energy: -107.049 flat angles P-C4'-P energy: -62.997 tors. eta vs tors. theta energy: -152.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1579.526817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.526817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.526817 (E_RNA) where: Base-Base interactions energy: -1108.861 where: short stacking energy: -517.522 Base-Backbone interact. energy: -0.991 local terms energy: -469.675078 where: bonds (distance) C4'-P energy: -87.671 bonds (distance) P-C4' energy: -77.214 flat angles C4'-P-C4' energy: -94.513 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -140.965 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: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1390.749442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.749442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.749442 (E_RNA) where: Base-Base interactions energy: -985.592 where: short stacking energy: -440.841 Base-Backbone interact. energy: -1.913 local terms energy: -403.244850 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -78.089 flat angles C4'-P-C4' energy: -88.349 flat angles P-C4'-P energy: -62.943 tors. eta vs tors. theta energy: -109.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1039.376686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.376686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.376686 (E_RNA) where: Base-Base interactions energy: -741.890 where: short stacking energy: -326.785 Base-Backbone interact. energy: -0.285 local terms energy: -297.201553 where: bonds (distance) C4'-P energy: -66.714 bonds (distance) P-C4' energy: -59.183 flat angles C4'-P-C4' energy: -67.377 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -61.822 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: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1985.862450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.862450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.862450 (E_RNA) where: Base-Base interactions energy: -1422.931 where: short stacking energy: -637.072 Base-Backbone interact. energy: -2.759 local terms energy: -560.171744 where: bonds (distance) C4'-P energy: -98.383 bonds (distance) P-C4' energy: -104.076 flat angles C4'-P-C4' energy: -111.062 flat angles P-C4'-P energy: -75.035 tors. eta vs tors. theta energy: -171.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1852.177111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.177111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.177111 (E_RNA) where: Base-Base interactions energy: -1347.117 where: short stacking energy: -609.472 Base-Backbone interact. energy: -0.718 local terms energy: -504.341741 where: bonds (distance) C4'-P energy: -81.394 bonds (distance) P-C4' energy: -86.255 flat angles C4'-P-C4' energy: -108.314 flat angles P-C4'-P energy: -68.646 tors. eta vs tors. theta energy: -159.733 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: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1815.386568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.386568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.386568 (E_RNA) where: Base-Base interactions energy: -1287.689 where: short stacking energy: -594.812 Base-Backbone interact. energy: -4.350 local terms energy: -523.347534 where: bonds (distance) C4'-P energy: -91.199 bonds (distance) P-C4' energy: -95.665 flat angles C4'-P-C4' energy: -114.829 flat angles P-C4'-P energy: -61.900 tors. eta vs tors. theta energy: -159.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1803.915178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.915178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.915178 (E_RNA) where: Base-Base interactions energy: -1298.370 where: short stacking energy: -586.159 Base-Backbone interact. energy: -0.304 local terms energy: -505.240798 where: bonds (distance) C4'-P energy: -77.271 bonds (distance) P-C4' energy: -93.350 flat angles C4'-P-C4' energy: -105.203 flat angles P-C4'-P energy: -69.043 tors. eta vs tors. theta energy: -160.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1781.563911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.563911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.563911 (E_RNA) where: Base-Base interactions energy: -1251.389 where: short stacking energy: -572.950 Base-Backbone interact. energy: 0.585 local terms energy: -530.760796 where: bonds (distance) C4'-P energy: -97.561 bonds (distance) P-C4' energy: -92.190 flat angles C4'-P-C4' energy: -104.535 flat angles P-C4'-P energy: -77.810 tors. eta vs tors. theta energy: -158.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1687.004377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.004377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.004377 (E_RNA) where: Base-Base interactions energy: -1218.177 where: short stacking energy: -557.213 Base-Backbone interact. energy: 0.036 local terms energy: -468.864253 where: bonds (distance) C4'-P energy: -71.607 bonds (distance) P-C4' energy: -91.890 flat angles C4'-P-C4' energy: -102.387 flat angles P-C4'-P energy: -59.572 tors. eta vs tors. theta energy: -143.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1665.697654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.697654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.697654 (E_RNA) where: Base-Base interactions energy: -1192.260 where: short stacking energy: -548.632 Base-Backbone interact. energy: -1.924 local terms energy: -471.513298 where: bonds (distance) C4'-P energy: -71.525 bonds (distance) P-C4' energy: -86.956 flat angles C4'-P-C4' energy: -98.694 flat angles P-C4'-P energy: -67.313 tors. eta vs tors. theta energy: -147.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1574.126640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.126640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.126640 (E_RNA) where: Base-Base interactions energy: -1114.902 where: short stacking energy: -522.001 Base-Backbone interact. energy: 1.588 local terms energy: -460.812485 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -59.718 tors. eta vs tors. theta energy: -140.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1398.639098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.639098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.639098 (E_RNA) where: Base-Base interactions energy: -997.517 where: short stacking energy: -466.163 Base-Backbone interact. energy: 0.459 local terms energy: -401.581149 where: bonds (distance) C4'-P energy: -80.364 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -89.796 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -117.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1119.994088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.994088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.994088 (E_RNA) where: Base-Base interactions energy: -766.831 where: short stacking energy: -360.508 Base-Backbone interact. energy: 2.497 local terms energy: -355.659887 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -69.018 flat angles C4'-P-C4' energy: -81.138 flat angles P-C4'-P energy: -50.468 tors. eta vs tors. theta energy: -87.310 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: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1963.007346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.007346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.007346 (E_RNA) where: Base-Base interactions energy: -1412.518 where: short stacking energy: -644.357 Base-Backbone interact. energy: -2.556 local terms energy: -547.933854 where: bonds (distance) C4'-P energy: -90.719 bonds (distance) P-C4' energy: -100.766 flat angles C4'-P-C4' energy: -114.462 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -173.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1853.228542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.228542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.228542 (E_RNA) where: Base-Base interactions energy: -1317.521 where: short stacking energy: -601.913 Base-Backbone interact. energy: -1.216 local terms energy: -534.490852 where: bonds (distance) C4'-P energy: -94.233 bonds (distance) P-C4' energy: -94.846 flat angles C4'-P-C4' energy: -110.380 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: -158.888 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: 3, replica: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1809.667362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.667362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.667362 (E_RNA) where: Base-Base interactions energy: -1272.383 where: short stacking energy: -572.385 Base-Backbone interact. energy: -2.792 local terms energy: -534.492688 where: bonds (distance) C4'-P energy: -95.249 bonds (distance) P-C4' energy: -102.063 flat angles C4'-P-C4' energy: -110.524 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -160.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1833.760036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.760036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.760036 (E_RNA) where: Base-Base interactions energy: -1315.327 where: short stacking energy: -588.668 Base-Backbone interact. energy: -0.292 local terms energy: -518.140984 where: bonds (distance) C4'-P energy: -93.463 bonds (distance) P-C4' energy: -86.806 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -65.143 tors. eta vs tors. theta energy: -164.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1770.086668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.086668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.086668 (E_RNA) where: Base-Base interactions energy: -1265.354 where: short stacking energy: -576.302 Base-Backbone interact. energy: -0.686 local terms energy: -504.046854 where: bonds (distance) C4'-P energy: -88.461 bonds (distance) P-C4' energy: -91.281 flat angles C4'-P-C4' energy: -107.067 flat angles P-C4'-P energy: -64.318 tors. eta vs tors. theta energy: -152.919 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: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1697.503181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.503181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.503181 (E_RNA) where: Base-Base interactions energy: -1222.218 where: short stacking energy: -547.868 Base-Backbone interact. energy: -1.414 local terms energy: -473.870947 where: bonds (distance) C4'-P energy: -88.144 bonds (distance) P-C4' energy: -81.903 flat angles C4'-P-C4' energy: -100.996 flat angles P-C4'-P energy: -62.694 tors. eta vs tors. theta energy: -140.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1668.387212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.387212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.387212 (E_RNA) where: Base-Base interactions energy: -1198.965 where: short stacking energy: -552.249 Base-Backbone interact. energy: -2.267 local terms energy: -467.155170 where: bonds (distance) C4'-P energy: -78.088 bonds (distance) P-C4' energy: -82.644 flat angles C4'-P-C4' energy: -97.201 flat angles P-C4'-P energy: -60.899 tors. eta vs tors. theta energy: -148.323 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: 10 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1575.804119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.804119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.804119 (E_RNA) where: Base-Base interactions energy: -1122.969 where: short stacking energy: -521.898 Base-Backbone interact. energy: -0.649 local terms energy: -452.185623 where: bonds (distance) C4'-P energy: -82.429 bonds (distance) P-C4' energy: -70.660 flat angles C4'-P-C4' energy: -96.679 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -144.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1413.908703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.908703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.908703 (E_RNA) where: Base-Base interactions energy: -1038.752 where: short stacking energy: -458.005 Base-Backbone interact. energy: 1.614 local terms energy: -376.771066 where: bonds (distance) C4'-P energy: -75.377 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -94.128 flat angles P-C4'-P energy: -31.667 tors. eta vs tors. theta energy: -109.307 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: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1117.666194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.666194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.666194 (E_RNA) where: Base-Base interactions energy: -768.264 where: short stacking energy: -318.163 Base-Backbone interact. energy: -2.123 local terms energy: -347.279158 where: bonds (distance) C4'-P energy: -86.603 bonds (distance) P-C4' energy: -66.031 flat angles C4'-P-C4' energy: -78.122 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: -64.732 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: 380 Temperature: 0.900000 Total energy: -1994.094296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.094296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.094296 (E_RNA) where: Base-Base interactions energy: -1419.770 where: short stacking energy: -641.220 Base-Backbone interact. energy: -2.290 local terms energy: -572.034185 where: bonds (distance) C4'-P energy: -97.209 bonds (distance) P-C4' energy: -96.027 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -87.158 tors. eta vs tors. theta energy: -177.295 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: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1865.963611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.963611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.963611 (E_RNA) where: Base-Base interactions energy: -1330.912 where: short stacking energy: -601.757 Base-Backbone interact. energy: -1.586 local terms energy: -533.465624 where: bonds (distance) C4'-P energy: -91.837 bonds (distance) P-C4' energy: -94.095 flat angles C4'-P-C4' energy: -109.046 flat angles P-C4'-P energy: -75.829 tors. eta vs tors. theta energy: -162.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1849.056955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.056955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.056955 (E_RNA) where: Base-Base interactions energy: -1320.921 where: short stacking energy: -599.297 Base-Backbone interact. energy: 0.221 local terms energy: -528.357459 where: bonds (distance) C4'-P energy: -82.474 bonds (distance) P-C4' energy: -86.204 flat angles C4'-P-C4' energy: -112.294 flat angles P-C4'-P energy: -80.768 tors. eta vs tors. theta energy: -166.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1790.062442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.062442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.062442 (E_RNA) where: Base-Base interactions energy: -1286.874 where: short stacking energy: -572.200 Base-Backbone interact. energy: -3.596 local terms energy: -499.593092 where: bonds (distance) C4'-P energy: -82.264 bonds (distance) P-C4' energy: -85.277 flat angles C4'-P-C4' energy: -105.483 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: -155.675 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: 380 Temperature: 1.100000 Total energy: -1755.793600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.793600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.793600 (E_RNA) where: Base-Base interactions energy: -1241.858 where: short stacking energy: -551.921 Base-Backbone interact. energy: -2.357 local terms energy: -511.578337 where: bonds (distance) C4'-P energy: -92.409 bonds (distance) P-C4' energy: -81.008 flat angles C4'-P-C4' energy: -110.518 flat angles P-C4'-P energy: -67.622 tors. eta vs tors. theta energy: -160.021 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: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1704.876172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.876172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.876172 (E_RNA) where: Base-Base interactions energy: -1222.231 where: short stacking energy: -555.196 Base-Backbone interact. energy: -1.156 local terms energy: -481.489596 where: bonds (distance) C4'-P energy: -89.577 bonds (distance) P-C4' energy: -88.904 flat angles C4'-P-C4' energy: -104.524 flat angles P-C4'-P energy: -52.119 tors. eta vs tors. theta energy: -146.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1660.102574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.102574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.102574 (E_RNA) where: Base-Base interactions energy: -1200.425 where: short stacking energy: -554.226 Base-Backbone interact. energy: -1.198 local terms energy: -458.479502 where: bonds (distance) C4'-P energy: -72.479 bonds (distance) P-C4' energy: -84.762 flat angles C4'-P-C4' energy: -90.041 flat angles P-C4'-P energy: -60.767 tors. eta vs tors. theta energy: -150.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1519.873860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.873860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.873860 (E_RNA) where: Base-Base interactions energy: -1116.180 where: short stacking energy: -538.727 Base-Backbone interact. energy: 1.101 local terms energy: -404.795063 where: bonds (distance) C4'-P energy: -59.664 bonds (distance) P-C4' energy: -55.743 flat angles C4'-P-C4' energy: -86.998 flat angles P-C4'-P energy: -58.783 tors. eta vs tors. theta energy: -143.608 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: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1448.983684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.983684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.983684 (E_RNA) where: Base-Base interactions energy: -1001.408 where: short stacking energy: -462.759 Base-Backbone interact. energy: -0.714 local terms energy: -446.861725 where: bonds (distance) C4'-P energy: -78.532 bonds (distance) P-C4' energy: -78.727 flat angles C4'-P-C4' energy: -103.988 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: -121.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1117.553369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.553369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.553369 (E_RNA) where: Base-Base interactions energy: -778.307 where: short stacking energy: -374.452 Base-Backbone interact. energy: -1.822 local terms energy: -337.423743 where: bonds (distance) C4'-P energy: -77.546 bonds (distance) P-C4' energy: -65.315 flat angles C4'-P-C4' energy: -78.624 flat angles P-C4'-P energy: -52.735 tors. eta vs tors. theta energy: -63.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1980.841266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.841266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.841266 (E_RNA) where: Base-Base interactions energy: -1424.622 where: short stacking energy: -639.979 Base-Backbone interact. energy: -1.682 local terms energy: -554.537335 where: bonds (distance) C4'-P energy: -86.871 bonds (distance) P-C4' energy: -92.416 flat angles C4'-P-C4' energy: -117.213 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -175.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1894.424456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.424456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.424456 (E_RNA) where: Base-Base interactions energy: -1348.249 where: short stacking energy: -610.883 Base-Backbone interact. energy: -2.570 local terms energy: -543.604732 where: bonds (distance) C4'-P energy: -94.162 bonds (distance) P-C4' energy: -103.966 flat angles C4'-P-C4' energy: -113.928 flat angles P-C4'-P energy: -66.925 tors. eta vs tors. theta energy: -164.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1838.910959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.910959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.910959 (E_RNA) where: Base-Base interactions energy: -1294.617 where: short stacking energy: -590.917 Base-Backbone interact. energy: -2.153 local terms energy: -542.140433 where: bonds (distance) C4'-P energy: -90.324 bonds (distance) P-C4' energy: -96.245 flat angles C4'-P-C4' energy: -117.856 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -162.099 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: 381 Temperature: 1.050000 Total energy: -1790.463268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.463268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.463268 (E_RNA) where: Base-Base interactions energy: -1294.963 where: short stacking energy: -594.204 Base-Backbone interact. energy: 0.094 local terms energy: -495.594656 where: bonds (distance) C4'-P energy: -91.130 bonds (distance) P-C4' energy: -87.731 flat angles C4'-P-C4' energy: -93.982 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -154.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1730.663578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.663578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.663578 (E_RNA) where: Base-Base interactions energy: -1256.753 where: short stacking energy: -581.006 Base-Backbone interact. energy: 4.237 local terms energy: -478.147777 where: bonds (distance) C4'-P energy: -83.344 bonds (distance) P-C4' energy: -76.595 flat angles C4'-P-C4' energy: -91.825 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -158.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1697.279622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.279622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.279622 (E_RNA) where: Base-Base interactions energy: -1214.541 where: short stacking energy: -561.857 Base-Backbone interact. energy: -2.446 local terms energy: -480.293096 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -81.789 flat angles C4'-P-C4' energy: -106.063 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -143.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1645.738465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.738465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.738465 (E_RNA) where: Base-Base interactions energy: -1195.372 where: short stacking energy: -548.642 Base-Backbone interact. energy: 0.015 local terms energy: -450.381015 where: bonds (distance) C4'-P energy: -84.728 bonds (distance) P-C4' energy: -74.783 flat angles C4'-P-C4' energy: -88.431 flat angles P-C4'-P energy: -62.344 tors. eta vs tors. theta energy: -140.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1526.447751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.447751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.447751 (E_RNA) where: Base-Base interactions energy: -1099.140 where: short stacking energy: -519.437 Base-Backbone interact. energy: -1.081 local terms energy: -426.226326 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -79.608 flat angles C4'-P-C4' energy: -82.709 flat angles P-C4'-P energy: -61.224 tors. eta vs tors. theta energy: -138.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1475.444240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.444240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.444240 (E_RNA) where: Base-Base interactions energy: -1065.150 where: short stacking energy: -471.837 Base-Backbone interact. energy: -2.819 local terms energy: -407.474694 where: bonds (distance) C4'-P energy: -65.225 bonds (distance) P-C4' energy: -81.938 flat angles C4'-P-C4' energy: -92.107 flat angles P-C4'-P energy: -53.191 tors. eta vs tors. theta energy: -115.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1164.289130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.289130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.289130 (E_RNA) where: Base-Base interactions energy: -798.066 where: short stacking energy: -389.833 Base-Backbone interact. energy: -0.361 local terms energy: -365.862216 where: bonds (distance) C4'-P energy: -72.993 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -88.728 flat angles P-C4'-P energy: -36.942 tors. eta vs tors. theta energy: -88.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1964.604835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.604835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.604835 (E_RNA) where: Base-Base interactions energy: -1407.674 where: short stacking energy: -613.717 Base-Backbone interact. energy: -4.326 local terms energy: -552.604240 where: bonds (distance) C4'-P energy: -94.162 bonds (distance) P-C4' energy: -93.805 flat angles C4'-P-C4' energy: -108.493 flat angles P-C4'-P energy: -81.177 tors. eta vs tors. theta energy: -174.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1902.217925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.217925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.217925 (E_RNA) where: Base-Base interactions energy: -1364.917 where: short stacking energy: -624.860 Base-Backbone interact. energy: -1.474 local terms energy: -535.826975 where: bonds (distance) C4'-P energy: -94.918 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -107.717 flat angles P-C4'-P energy: -72.568 tors. eta vs tors. theta energy: -165.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1837.264057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.264057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.264057 (E_RNA) where: Base-Base interactions energy: -1300.922 where: short stacking energy: -588.375 Base-Backbone interact. energy: -2.378 local terms energy: -533.963646 where: bonds (distance) C4'-P energy: -96.598 bonds (distance) P-C4' energy: -91.648 flat angles C4'-P-C4' energy: -109.758 flat angles P-C4'-P energy: -73.935 tors. eta vs tors. theta energy: -162.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1815.194092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.194092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.194092 (E_RNA) where: Base-Base interactions energy: -1307.980 where: short stacking energy: -577.341 Base-Backbone interact. energy: -2.958 local terms energy: -504.256378 where: bonds (distance) C4'-P energy: -80.475 bonds (distance) P-C4' energy: -85.883 flat angles C4'-P-C4' energy: -105.874 flat angles P-C4'-P energy: -76.466 tors. eta vs tors. theta energy: -155.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1717.829308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.829308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.829308 (E_RNA) where: Base-Base interactions energy: -1207.874 where: short stacking energy: -538.747 Base-Backbone interact. energy: -0.756 local terms energy: -509.199289 where: bonds (distance) C4'-P energy: -88.289 bonds (distance) P-C4' energy: -87.140 flat angles C4'-P-C4' energy: -108.999 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -150.195 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: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1719.701745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.701745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.701745 (E_RNA) where: Base-Base interactions energy: -1228.343 where: short stacking energy: -566.059 Base-Backbone interact. energy: -1.151 local terms energy: -490.207283 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -92.140 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -150.834 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: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1655.429909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.429909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.429909 (E_RNA) where: Base-Base interactions energy: -1190.979 where: short stacking energy: -549.723 Base-Backbone interact. energy: 1.990 local terms energy: -466.440738 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -89.205 flat angles C4'-P-C4' energy: -102.626 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -138.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1485.977590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.977590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.977590 (E_RNA) where: Base-Base interactions energy: -1046.514 where: short stacking energy: -489.359 Base-Backbone interact. energy: -2.192 local terms energy: -437.271725 where: bonds (distance) C4'-P energy: -80.575 bonds (distance) P-C4' energy: -81.529 flat angles C4'-P-C4' energy: -95.893 flat angles P-C4'-P energy: -50.221 tors. eta vs tors. theta energy: -129.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1470.203332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.203332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.203332 (E_RNA) where: Base-Base interactions energy: -1034.563 where: short stacking energy: -484.571 Base-Backbone interact. energy: -0.595 local terms energy: -435.045959 where: bonds (distance) C4'-P energy: -79.105 bonds (distance) P-C4' energy: -74.964 flat angles C4'-P-C4' energy: -92.996 flat angles P-C4'-P energy: -55.786 tors. eta vs tors. theta energy: -132.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1252.847178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.847178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.847178 (E_RNA) where: Base-Base interactions energy: -885.573 where: short stacking energy: -404.223 Base-Backbone interact. energy: 2.498 local terms energy: -369.772160 where: bonds (distance) C4'-P energy: -58.715 bonds (distance) P-C4' energy: -80.158 flat angles C4'-P-C4' energy: -70.596 flat angles P-C4'-P energy: -54.330 tors. eta vs tors. theta energy: -105.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1969.248074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.248074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.248074 (E_RNA) where: Base-Base interactions energy: -1404.303 where: short stacking energy: -626.303 Base-Backbone interact. energy: -1.445 local terms energy: -563.499280 where: bonds (distance) C4'-P energy: -93.816 bonds (distance) P-C4' energy: -111.647 flat angles C4'-P-C4' energy: -111.622 flat angles P-C4'-P energy: -75.615 tors. eta vs tors. theta energy: -170.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1921.844237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.844237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.844237 (E_RNA) where: Base-Base interactions energy: -1383.905 where: short stacking energy: -635.420 Base-Backbone interact. energy: -1.290 local terms energy: -536.649335 where: bonds (distance) C4'-P energy: -82.857 bonds (distance) P-C4' energy: -97.171 flat angles C4'-P-C4' energy: -114.168 flat angles P-C4'-P energy: -75.744 tors. eta vs tors. theta energy: -166.709 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: 3, replica: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1815.996970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.996970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.996970 (E_RNA) where: Base-Base interactions energy: -1294.383 where: short stacking energy: -588.644 Base-Backbone interact. energy: -2.140 local terms energy: -519.474307 where: bonds (distance) C4'-P energy: -92.924 bonds (distance) P-C4' energy: -89.204 flat angles C4'-P-C4' energy: -100.998 flat angles P-C4'-P energy: -78.298 tors. eta vs tors. theta energy: -158.051 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: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1835.693910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.693910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.693910 (E_RNA) where: Base-Base interactions energy: -1317.714 where: short stacking energy: -585.100 Base-Backbone interact. energy: -0.231 local terms energy: -517.748751 where: bonds (distance) C4'-P energy: -83.100 bonds (distance) P-C4' energy: -86.406 flat angles C4'-P-C4' energy: -107.633 flat angles P-C4'-P energy: -75.799 tors. eta vs tors. theta energy: -164.811 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: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1742.588568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.588568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.588568 (E_RNA) where: Base-Base interactions energy: -1260.685 where: short stacking energy: -573.539 Base-Backbone interact. energy: -0.269 local terms energy: -481.634350 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -82.627 flat angles C4'-P-C4' energy: -95.609 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -149.481 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: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1658.170943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.170943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.170943 (E_RNA) where: Base-Base interactions energy: -1205.480 where: short stacking energy: -526.929 Base-Backbone interact. energy: -1.099 local terms energy: -451.591636 where: bonds (distance) C4'-P energy: -90.111 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -101.526 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -138.919 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: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1651.466318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.466318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.466318 (E_RNA) where: Base-Base interactions energy: -1196.780 where: short stacking energy: -533.252 Base-Backbone interact. energy: 0.128 local terms energy: -454.813985 where: bonds (distance) C4'-P energy: -80.984 bonds (distance) P-C4' energy: -63.031 flat angles C4'-P-C4' energy: -107.381 flat angles P-C4'-P energy: -57.570 tors. eta vs tors. theta energy: -145.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1512.193839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.193839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.193839 (E_RNA) where: Base-Base interactions energy: -1057.962 where: short stacking energy: -480.397 Base-Backbone interact. energy: -0.272 local terms energy: -453.960068 where: bonds (distance) C4'-P energy: -97.231 bonds (distance) P-C4' energy: -89.194 flat angles C4'-P-C4' energy: -95.345 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -123.434 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: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1475.918188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.918188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.918188 (E_RNA) where: Base-Base interactions energy: -1041.347 where: short stacking energy: -480.243 Base-Backbone interact. energy: 0.947 local terms energy: -435.517892 where: bonds (distance) C4'-P energy: -80.571 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -90.422 flat angles P-C4'-P energy: -52.012 tors. eta vs tors. theta energy: -141.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1225.133419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.133419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.133419 (E_RNA) where: Base-Base interactions energy: -870.185 where: short stacking energy: -401.455 Base-Backbone interact. energy: 0.043 local terms energy: -354.990767 where: bonds (distance) C4'-P energy: -52.033 bonds (distance) P-C4' energy: -73.549 flat angles C4'-P-C4' energy: -79.702 flat angles P-C4'-P energy: -51.311 tors. eta vs tors. theta energy: -98.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1952.438279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.438279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.438279 (E_RNA) where: Base-Base interactions energy: -1406.201 where: short stacking energy: -639.946 Base-Backbone interact. energy: -2.569 local terms energy: -543.668227 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -91.713 flat angles C4'-P-C4' energy: -108.276 flat angles P-C4'-P energy: -73.243 tors. eta vs tors. theta energy: -170.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1906.236703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.236703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.236703 (E_RNA) where: Base-Base interactions energy: -1375.192 where: short stacking energy: -631.481 Base-Backbone interact. energy: -1.977 local terms energy: -529.067520 where: bonds (distance) C4'-P energy: -94.767 bonds (distance) P-C4' energy: -90.269 flat angles C4'-P-C4' energy: -112.266 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -162.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1862.811851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.811851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.811851 (E_RNA) where: Base-Base interactions energy: -1335.639 where: short stacking energy: -603.808 Base-Backbone interact. energy: -2.095 local terms energy: -525.078392 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -88.161 flat angles C4'-P-C4' energy: -112.066 flat angles P-C4'-P energy: -83.180 tors. eta vs tors. theta energy: -156.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1794.518199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.518199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.518199 (E_RNA) where: Base-Base interactions energy: -1289.511 where: short stacking energy: -580.918 Base-Backbone interact. energy: -2.580 local terms energy: -502.427300 where: bonds (distance) C4'-P energy: -78.655 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -69.773 tors. eta vs tors. theta energy: -155.928 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: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1760.531893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.531893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.531893 (E_RNA) where: Base-Base interactions energy: -1264.490 where: short stacking energy: -578.927 Base-Backbone interact. energy: 1.590 local terms energy: -497.631190 where: bonds (distance) C4'-P energy: -88.715 bonds (distance) P-C4' energy: -89.663 flat angles C4'-P-C4' energy: -100.791 flat angles P-C4'-P energy: -64.575 tors. eta vs tors. theta energy: -153.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1688.543488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.543488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.543488 (E_RNA) where: Base-Base interactions energy: -1221.288 where: short stacking energy: -549.247 Base-Backbone interact. energy: 0.889 local terms energy: -468.144482 where: bonds (distance) C4'-P energy: -83.881 bonds (distance) P-C4' energy: -76.098 flat angles C4'-P-C4' energy: -92.149 flat angles P-C4'-P energy: -62.308 tors. eta vs tors. theta energy: -153.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1664.260069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.260069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.260069 (E_RNA) where: Base-Base interactions energy: -1188.455 where: short stacking energy: -565.021 Base-Backbone interact. energy: -1.576 local terms energy: -474.229342 where: bonds (distance) C4'-P energy: -71.226 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -55.625 tors. eta vs tors. theta energy: -157.948 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: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1561.101367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.101367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.101367 (E_RNA) where: Base-Base interactions energy: -1092.232 where: short stacking energy: -505.766 Base-Backbone interact. energy: -1.117 local terms energy: -467.752975 where: bonds (distance) C4'-P energy: -92.167 bonds (distance) P-C4' energy: -79.732 flat angles C4'-P-C4' energy: -98.881 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -139.000 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: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1483.039519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.039519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.039519 (E_RNA) where: Base-Base interactions energy: -1065.277 where: short stacking energy: -498.791 Base-Backbone interact. energy: 0.436 local terms energy: -418.198762 where: bonds (distance) C4'-P energy: -77.577 bonds (distance) P-C4' energy: -70.744 flat angles C4'-P-C4' energy: -87.418 flat angles P-C4'-P energy: -47.370 tors. eta vs tors. theta energy: -135.090 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: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1229.320422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.320422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.320422 (E_RNA) where: Base-Base interactions energy: -890.362 where: short stacking energy: -428.128 Base-Backbone interact. energy: 1.110 local terms energy: -340.068348 where: bonds (distance) C4'-P energy: -54.947 bonds (distance) P-C4' energy: -80.070 flat angles C4'-P-C4' energy: -81.382 flat angles P-C4'-P energy: -23.774 tors. eta vs tors. theta energy: -99.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1970.709448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.709448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.709448 (E_RNA) where: Base-Base interactions energy: -1417.174 where: short stacking energy: -627.936 Base-Backbone interact. energy: -0.308 local terms energy: -553.227810 where: bonds (distance) C4'-P energy: -90.026 bonds (distance) P-C4' energy: -88.145 flat angles C4'-P-C4' energy: -117.129 flat angles P-C4'-P energy: -87.879 tors. eta vs tors. theta energy: -170.049 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: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1904.079774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.079774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.079774 (E_RNA) where: Base-Base interactions energy: -1355.667 where: short stacking energy: -629.537 Base-Backbone interact. energy: 0.888 local terms energy: -549.301058 where: bonds (distance) C4'-P energy: -86.600 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -116.662 flat angles P-C4'-P energy: -84.986 tors. eta vs tors. theta energy: -169.264 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: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1838.743800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.743800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.743800 (E_RNA) where: Base-Base interactions energy: -1314.098 where: short stacking energy: -610.554 Base-Backbone interact. energy: 3.391 local terms energy: -528.036850 where: bonds (distance) C4'-P energy: -87.977 bonds (distance) P-C4' energy: -99.976 flat angles C4'-P-C4' energy: -106.663 flat angles P-C4'-P energy: -80.156 tors. eta vs tors. theta energy: -153.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1780.571772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.571772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.571772 (E_RNA) where: Base-Base interactions energy: -1296.939 where: short stacking energy: -588.583 Base-Backbone interact. energy: 0.775 local terms energy: -484.408235 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -77.443 flat angles C4'-P-C4' energy: -116.684 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -150.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1735.526198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.526198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.526198 (E_RNA) where: Base-Base interactions energy: -1254.577 where: short stacking energy: -565.335 Base-Backbone interact. energy: -3.015 local terms energy: -477.934550 where: bonds (distance) C4'-P energy: -77.082 bonds (distance) P-C4' energy: -87.322 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -70.582 tors. eta vs tors. theta energy: -142.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1681.320980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.320980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.320980 (E_RNA) where: Base-Base interactions energy: -1212.460 where: short stacking energy: -533.539 Base-Backbone interact. energy: -0.960 local terms energy: -467.900762 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -76.237 flat angles C4'-P-C4' energy: -109.841 flat angles P-C4'-P energy: -64.554 tors. eta vs tors. theta energy: -142.446 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: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1641.339529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.339529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.339529 (E_RNA) where: Base-Base interactions energy: -1181.936 where: short stacking energy: -514.701 Base-Backbone interact. energy: -1.385 local terms energy: -458.018875 where: bonds (distance) C4'-P energy: -83.617 bonds (distance) P-C4' energy: -77.401 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -142.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1505.679794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.679794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.679794 (E_RNA) where: Base-Base interactions energy: -1085.587 where: short stacking energy: -506.182 Base-Backbone interact. energy: -0.373 local terms energy: -419.720526 where: bonds (distance) C4'-P energy: -64.513 bonds (distance) P-C4' energy: -71.841 flat angles C4'-P-C4' energy: -95.023 flat angles P-C4'-P energy: -55.054 tors. eta vs tors. theta energy: -133.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1486.048894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.048894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.048894 (E_RNA) where: Base-Base interactions energy: -1038.632 where: short stacking energy: -475.301 Base-Backbone interact. energy: -1.667 local terms energy: -445.749956 where: bonds (distance) C4'-P energy: -88.505 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -102.811 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: -128.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1193.276668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.276668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.276668 (E_RNA) where: Base-Base interactions energy: -840.622 where: short stacking energy: -388.603 Base-Backbone interact. energy: -0.080 local terms energy: -352.574740 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -84.661 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -82.132 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: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1986.380721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.380721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.380721 (E_RNA) where: Base-Base interactions energy: -1421.978 where: short stacking energy: -635.288 Base-Backbone interact. energy: -0.581 local terms energy: -563.822246 where: bonds (distance) C4'-P energy: -99.315 bonds (distance) P-C4' energy: -93.427 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -82.473 tors. eta vs tors. theta energy: -171.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1894.119892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.119892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.119892 (E_RNA) where: Base-Base interactions energy: -1357.571 where: short stacking energy: -620.266 Base-Backbone interact. energy: -2.582 local terms energy: -533.967170 where: bonds (distance) C4'-P energy: -85.107 bonds (distance) P-C4' energy: -93.470 flat angles C4'-P-C4' energy: -115.111 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: -162.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1851.511755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.511755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.511755 (E_RNA) where: Base-Base interactions energy: -1344.129 where: short stacking energy: -590.373 Base-Backbone interact. energy: -1.873 local terms energy: -505.509985 where: bonds (distance) C4'-P energy: -75.323 bonds (distance) P-C4' energy: -94.412 flat angles C4'-P-C4' energy: -115.155 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -152.127 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: 386 Temperature: 1.050000 Total energy: -1794.017298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.017298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.017298 (E_RNA) where: Base-Base interactions energy: -1288.349 where: short stacking energy: -590.579 Base-Backbone interact. energy: -1.810 local terms energy: -503.858585 where: bonds (distance) C4'-P energy: -88.003 bonds (distance) P-C4' energy: -76.560 flat angles C4'-P-C4' energy: -107.813 flat angles P-C4'-P energy: -73.329 tors. eta vs tors. theta energy: -158.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1735.431556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.431556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.431556 (E_RNA) where: Base-Base interactions energy: -1239.395 where: short stacking energy: -542.784 Base-Backbone interact. energy: -2.676 local terms energy: -493.359889 where: bonds (distance) C4'-P energy: -74.540 bonds (distance) P-C4' energy: -93.518 flat angles C4'-P-C4' energy: -102.980 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -151.291 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: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1713.451774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.451774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.451774 (E_RNA) where: Base-Base interactions energy: -1248.844 where: short stacking energy: -561.191 Base-Backbone interact. energy: -0.846 local terms energy: -463.761694 where: bonds (distance) C4'-P energy: -72.404 bonds (distance) P-C4' energy: -79.658 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -150.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1652.337060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.337060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.337060 (E_RNA) where: Base-Base interactions energy: -1188.688 where: short stacking energy: -518.007 Base-Backbone interact. energy: -1.046 local terms energy: -462.602280 where: bonds (distance) C4'-P energy: -79.305 bonds (distance) P-C4' energy: -86.127 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -58.133 tors. eta vs tors. theta energy: -142.532 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: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1528.048790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.048790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.048790 (E_RNA) where: Base-Base interactions energy: -1065.530 where: short stacking energy: -523.456 Base-Backbone interact. energy: 0.606 local terms energy: -463.124257 where: bonds (distance) C4'-P energy: -86.432 bonds (distance) P-C4' energy: -74.851 flat angles C4'-P-C4' energy: -100.734 flat angles P-C4'-P energy: -53.242 tors. eta vs tors. theta energy: -147.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1497.698894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.698894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.698894 (E_RNA) where: Base-Base interactions energy: -1060.176 where: short stacking energy: -474.976 Base-Backbone interact. energy: -1.475 local terms energy: -436.047625 where: bonds (distance) C4'-P energy: -76.185 bonds (distance) P-C4' energy: -77.357 flat angles C4'-P-C4' energy: -94.267 flat angles P-C4'-P energy: -54.121 tors. eta vs tors. theta energy: -134.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1191.047493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.047493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.047493 (E_RNA) where: Base-Base interactions energy: -818.738 where: short stacking energy: -387.568 Base-Backbone interact. energy: -0.077 local terms energy: -372.231935 where: bonds (distance) C4'-P energy: -73.226 bonds (distance) P-C4' energy: -80.086 flat angles C4'-P-C4' energy: -86.047 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: -88.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1984.779701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.779701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.779701 (E_RNA) where: Base-Base interactions energy: -1431.312 where: short stacking energy: -652.187 Base-Backbone interact. energy: -0.672 local terms energy: -552.796184 where: bonds (distance) C4'-P energy: -93.849 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -111.867 flat angles P-C4'-P energy: -84.559 tors. eta vs tors. theta energy: -170.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1899.960185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.960185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.960185 (E_RNA) where: Base-Base interactions energy: -1360.958 where: short stacking energy: -624.687 Base-Backbone interact. energy: -1.578 local terms energy: -537.424673 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -96.025 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -78.709 tors. eta vs tors. theta energy: -168.622 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: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1838.177112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.177112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.177112 (E_RNA) where: Base-Base interactions energy: -1305.254 where: short stacking energy: -587.199 Base-Backbone interact. energy: -2.921 local terms energy: -530.002042 where: bonds (distance) C4'-P energy: -91.965 bonds (distance) P-C4' energy: -95.846 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -73.866 tors. eta vs tors. theta energy: -156.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1772.687353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.687353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.687353 (E_RNA) where: Base-Base interactions energy: -1269.196 where: short stacking energy: -555.540 Base-Backbone interact. energy: -1.039 local terms energy: -502.452703 where: bonds (distance) C4'-P energy: -90.746 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -97.811 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -153.071 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: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1718.847876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.847876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.847876 (E_RNA) where: Base-Base interactions energy: -1217.229 where: short stacking energy: -545.980 Base-Backbone interact. energy: -2.828 local terms energy: -498.790807 where: bonds (distance) C4'-P energy: -89.900 bonds (distance) P-C4' energy: -92.493 flat angles C4'-P-C4' energy: -106.577 flat angles P-C4'-P energy: -68.278 tors. eta vs tors. theta energy: -141.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1685.430502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.430502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.430502 (E_RNA) where: Base-Base interactions energy: -1248.260 where: short stacking energy: -555.319 Base-Backbone interact. energy: -2.745 local terms energy: -434.425149 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -55.089 flat angles C4'-P-C4' energy: -101.996 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: -141.276 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1653.782540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.782540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.782540 (E_RNA) where: Base-Base interactions energy: -1184.005 where: short stacking energy: -523.749 Base-Backbone interact. energy: -2.220 local terms energy: -467.557685 where: bonds (distance) C4'-P energy: -75.719 bonds (distance) P-C4' energy: -97.471 flat angles C4'-P-C4' energy: -96.111 flat angles P-C4'-P energy: -63.334 tors. eta vs tors. theta energy: -134.922 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: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1550.852630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.852630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.852630 (E_RNA) where: Base-Base interactions energy: -1084.160 where: short stacking energy: -517.636 Base-Backbone interact. energy: -2.074 local terms energy: -464.619159 where: bonds (distance) C4'-P energy: -88.062 bonds (distance) P-C4' energy: -69.379 flat angles C4'-P-C4' energy: -101.603 flat angles P-C4'-P energy: -61.062 tors. eta vs tors. theta energy: -144.513 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: 387 Temperature: 1.300000 Total energy: -1486.628441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.628441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.628441 (E_RNA) where: Base-Base interactions energy: -1063.259 where: short stacking energy: -492.226 Base-Backbone interact. energy: 0.669 local terms energy: -424.037667 where: bonds (distance) C4'-P energy: -71.953 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -100.155 flat angles P-C4'-P energy: -59.025 tors. eta vs tors. theta energy: -123.365 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: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1220.283491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.283491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.283491 (E_RNA) where: Base-Base interactions energy: -861.516 where: short stacking energy: -389.305 Base-Backbone interact. energy: -1.238 local terms energy: -357.529810 where: bonds (distance) C4'-P energy: -61.311 bonds (distance) P-C4' energy: -60.046 flat angles C4'-P-C4' energy: -91.145 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -97.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1989.238231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.238231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.238231 (E_RNA) where: Base-Base interactions energy: -1443.016 where: short stacking energy: -641.677 Base-Backbone interact. energy: -1.311 local terms energy: -544.911346 where: bonds (distance) C4'-P energy: -83.259 bonds (distance) P-C4' energy: -96.115 flat angles C4'-P-C4' energy: -110.098 flat angles P-C4'-P energy: -86.602 tors. eta vs tors. theta energy: -168.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1912.353529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.353529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.353529 (E_RNA) where: Base-Base interactions energy: -1367.593 where: short stacking energy: -615.228 Base-Backbone interact. energy: -0.634 local terms energy: -544.125974 where: bonds (distance) C4'-P energy: -89.629 bonds (distance) P-C4' energy: -90.621 flat angles C4'-P-C4' energy: -113.584 flat angles P-C4'-P energy: -80.118 tors. eta vs tors. theta energy: -170.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1832.764898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.764898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.764898 (E_RNA) where: Base-Base interactions energy: -1310.210 where: short stacking energy: -586.582 Base-Backbone interact. energy: -1.467 local terms energy: -521.088389 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -90.227 flat angles C4'-P-C4' energy: -109.604 flat angles P-C4'-P energy: -82.881 tors. eta vs tors. theta energy: -164.513 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: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1808.116440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.116440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.116440 (E_RNA) where: Base-Base interactions energy: -1304.040 where: short stacking energy: -598.301 Base-Backbone interact. energy: -1.147 local terms energy: -502.928797 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -81.784 flat angles C4'-P-C4' energy: -103.750 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -156.329 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: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1742.564658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.564658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.564658 (E_RNA) where: Base-Base interactions energy: -1257.719 where: short stacking energy: -569.301 Base-Backbone interact. energy: -2.715 local terms energy: -482.130839 where: bonds (distance) C4'-P energy: -81.406 bonds (distance) P-C4' energy: -78.885 flat angles C4'-P-C4' energy: -105.547 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -155.658 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: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1735.051098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.051098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.051098 (E_RNA) where: Base-Base interactions energy: -1245.211 where: short stacking energy: -571.702 Base-Backbone interact. energy: -1.495 local terms energy: -488.345157 where: bonds (distance) C4'-P energy: -73.248 bonds (distance) P-C4' energy: -86.419 flat angles C4'-P-C4' energy: -94.227 flat angles P-C4'-P energy: -80.613 tors. eta vs tors. theta energy: -153.838 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: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1621.499482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.499482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.499482 (E_RNA) where: Base-Base interactions energy: -1180.944 where: short stacking energy: -521.490 Base-Backbone interact. energy: -1.421 local terms energy: -439.134051 where: bonds (distance) C4'-P energy: -71.231 bonds (distance) P-C4' energy: -77.426 flat angles C4'-P-C4' energy: -98.836 flat angles P-C4'-P energy: -53.758 tors. eta vs tors. theta energy: -137.883 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: 8, replica: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1498.888698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.888698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.888698 (E_RNA) where: Base-Base interactions energy: -1077.356 where: short stacking energy: -516.687 Base-Backbone interact. energy: -1.742 local terms energy: -419.790536 where: bonds (distance) C4'-P energy: -74.069 bonds (distance) P-C4' energy: -73.260 flat angles C4'-P-C4' energy: -93.546 flat angles P-C4'-P energy: -46.794 tors. eta vs tors. theta energy: -132.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1452.292681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.292681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.292681 (E_RNA) where: Base-Base interactions energy: -1063.406 where: short stacking energy: -478.229 Base-Backbone interact. energy: -0.345 local terms energy: -388.541116 where: bonds (distance) C4'-P energy: -66.104 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -80.050 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -116.653 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: 388 Temperature: 1.350000 Total energy: -1253.875308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.875308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.875308 (E_RNA) where: Base-Base interactions energy: -903.982 where: short stacking energy: -414.407 Base-Backbone interact. energy: 1.019 local terms energy: -350.912347 where: bonds (distance) C4'-P energy: -60.102 bonds (distance) P-C4' energy: -69.713 flat angles C4'-P-C4' energy: -77.934 flat angles P-C4'-P energy: -42.560 tors. eta vs tors. theta energy: -100.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1981.093658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.093658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.093658 (E_RNA) where: Base-Base interactions energy: -1423.363 where: short stacking energy: -644.086 Base-Backbone interact. energy: -1.295 local terms energy: -556.435694 where: bonds (distance) C4'-P energy: -86.377 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -112.108 flat angles P-C4'-P energy: -80.528 tors. eta vs tors. theta energy: -172.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1931.873133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.873133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.873133 (E_RNA) where: Base-Base interactions energy: -1369.069 where: short stacking energy: -624.727 Base-Backbone interact. energy: -0.649 local terms energy: -562.154646 where: bonds (distance) C4'-P energy: -102.099 bonds (distance) P-C4' energy: -87.423 flat angles C4'-P-C4' energy: -113.735 flat angles P-C4'-P energy: -88.411 tors. eta vs tors. theta energy: -170.486 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: 389 Temperature: 1.000000 Total energy: -1801.384023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.384023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.384023 (E_RNA) where: Base-Base interactions energy: -1296.309 where: short stacking energy: -588.087 Base-Backbone interact. energy: -2.588 local terms energy: -502.487158 where: bonds (distance) C4'-P energy: -88.253 bonds (distance) P-C4' energy: -77.336 flat angles C4'-P-C4' energy: -113.740 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -154.814 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: 389 Temperature: 1.050000 Total energy: -1790.267039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.267039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.267039 (E_RNA) where: Base-Base interactions energy: -1302.886 where: short stacking energy: -588.944 Base-Backbone interact. energy: -1.422 local terms energy: -485.958333 where: bonds (distance) C4'-P energy: -76.729 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -106.576 flat angles P-C4'-P energy: -71.141 tors. eta vs tors. theta energy: -152.598 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: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1752.748226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.748226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.748226 (E_RNA) where: Base-Base interactions energy: -1283.751 where: short stacking energy: -581.620 Base-Backbone interact. energy: -1.032 local terms energy: -467.965042 where: bonds (distance) C4'-P energy: -71.020 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -105.710 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -150.197 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: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1699.028669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.028669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.028669 (E_RNA) where: Base-Base interactions energy: -1217.934 where: short stacking energy: -551.847 Base-Backbone interact. energy: -1.206 local terms energy: -479.888120 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -95.494 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -50.089 tors. eta vs tors. theta energy: -155.908 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: 389 Temperature: 1.200000 Total energy: -1601.418329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.418329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.418329 (E_RNA) where: Base-Base interactions energy: -1142.649 where: short stacking energy: -504.458 Base-Backbone interact. energy: -1.807 local terms energy: -456.962727 where: bonds (distance) C4'-P energy: -91.552 bonds (distance) P-C4' energy: -78.721 flat angles C4'-P-C4' energy: -90.689 flat angles P-C4'-P energy: -59.185 tors. eta vs tors. theta energy: -136.815 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: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1551.736537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.736537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.736537 (E_RNA) where: Base-Base interactions energy: -1086.686 where: short stacking energy: -514.821 Base-Backbone interact. energy: 0.196 local terms energy: -465.246443 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -67.961 flat angles C4'-P-C4' energy: -98.942 flat angles P-C4'-P energy: -69.810 tors. eta vs tors. theta energy: -146.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1472.380928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.380928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.380928 (E_RNA) where: Base-Base interactions energy: -1043.419 where: short stacking energy: -457.144 Base-Backbone interact. energy: -1.512 local terms energy: -427.449271 where: bonds (distance) C4'-P energy: -72.318 bonds (distance) P-C4' energy: -76.794 flat angles C4'-P-C4' energy: -94.725 flat angles P-C4'-P energy: -59.163 tors. eta vs tors. theta energy: -124.450 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: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1265.549057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.549057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.549057 (E_RNA) where: Base-Base interactions energy: -874.942 where: short stacking energy: -396.817 Base-Backbone interact. energy: -0.900 local terms energy: -389.707173 where: bonds (distance) C4'-P energy: -82.433 bonds (distance) P-C4' energy: -79.874 flat angles C4'-P-C4' energy: -83.974 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -103.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1973.723183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.723183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.723183 (E_RNA) where: Base-Base interactions energy: -1420.138 where: short stacking energy: -631.191 Base-Backbone interact. energy: -1.462 local terms energy: -552.123131 where: bonds (distance) C4'-P energy: -94.348 bonds (distance) P-C4' energy: -91.834 flat angles C4'-P-C4' energy: -113.375 flat angles P-C4'-P energy: -79.783 tors. eta vs tors. theta energy: -172.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1907.068873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.068873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.068873 (E_RNA) where: Base-Base interactions energy: -1362.031 where: short stacking energy: -636.585 Base-Backbone interact. energy: -1.084 local terms energy: -543.953348 where: bonds (distance) C4'-P energy: -89.005 bonds (distance) P-C4' energy: -100.218 flat angles C4'-P-C4' energy: -108.050 flat angles P-C4'-P energy: -72.967 tors. eta vs tors. theta energy: -173.714 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: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1826.838717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.838717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.838717 (E_RNA) where: Base-Base interactions energy: -1299.042 where: short stacking energy: -566.759 Base-Backbone interact. energy: -1.802 local terms energy: -525.994994 where: bonds (distance) C4'-P energy: -98.758 bonds (distance) P-C4' energy: -94.710 flat angles C4'-P-C4' energy: -110.831 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -156.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1786.794957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.794957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.794957 (E_RNA) where: Base-Base interactions energy: -1281.805 where: short stacking energy: -571.458 Base-Backbone interact. energy: 0.910 local terms energy: -505.900330 where: bonds (distance) C4'-P energy: -94.601 bonds (distance) P-C4' energy: -81.800 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -158.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1730.353887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.353887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.353887 (E_RNA) where: Base-Base interactions energy: -1255.051 where: short stacking energy: -553.480 Base-Backbone interact. energy: -1.434 local terms energy: -473.868259 where: bonds (distance) C4'-P energy: -81.090 bonds (distance) P-C4' energy: -76.073 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -149.272 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: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1700.869665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.869665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.869665 (E_RNA) where: Base-Base interactions energy: -1231.405 where: short stacking energy: -552.796 Base-Backbone interact. energy: -3.004 local terms energy: -466.460709 where: bonds (distance) C4'-P energy: -83.421 bonds (distance) P-C4' energy: -73.658 flat angles C4'-P-C4' energy: -92.451 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -149.335 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: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1596.940126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.940126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.940126 (E_RNA) where: Base-Base interactions energy: -1130.667 where: short stacking energy: -548.655 Base-Backbone interact. energy: -1.212 local terms energy: -465.061137 where: bonds (distance) C4'-P energy: -89.690 bonds (distance) P-C4' energy: -75.592 flat angles C4'-P-C4' energy: -101.303 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -146.190 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: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1572.425038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.425038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.425038 (E_RNA) where: Base-Base interactions energy: -1125.276 where: short stacking energy: -502.272 Base-Backbone interact. energy: -0.880 local terms energy: -446.268171 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -83.090 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -55.093 tors. eta vs tors. theta energy: -130.720 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: 390 Temperature: 1.300000 Total energy: -1549.766086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.766086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.766086 (E_RNA) where: Base-Base interactions energy: -1095.590 where: short stacking energy: -489.741 Base-Backbone interact. energy: -1.044 local terms energy: -453.132363 where: bonds (distance) C4'-P energy: -78.583 bonds (distance) P-C4' energy: -84.864 flat angles C4'-P-C4' energy: -96.929 flat angles P-C4'-P energy: -60.512 tors. eta vs tors. theta energy: -132.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1224.181379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.181379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.181379 (E_RNA) where: Base-Base interactions energy: -862.496 where: short stacking energy: -416.407 Base-Backbone interact. energy: -1.334 local terms energy: -360.350847 where: bonds (distance) C4'-P energy: -61.613 bonds (distance) P-C4' energy: -68.070 flat angles C4'-P-C4' energy: -74.938 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -98.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1978.649903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.649903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.649903 (E_RNA) where: Base-Base interactions energy: -1423.538 where: short stacking energy: -637.853 Base-Backbone interact. energy: -1.779 local terms energy: -553.332677 where: bonds (distance) C4'-P energy: -94.258 bonds (distance) P-C4' energy: -87.487 flat angles C4'-P-C4' energy: -117.445 flat angles P-C4'-P energy: -85.337 tors. eta vs tors. theta energy: -168.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1904.798582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.798582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.798582 (E_RNA) where: Base-Base interactions energy: -1358.934 where: short stacking energy: -615.927 Base-Backbone interact. energy: -0.693 local terms energy: -545.172145 where: bonds (distance) C4'-P energy: -93.011 bonds (distance) P-C4' energy: -101.335 flat angles C4'-P-C4' energy: -110.041 flat angles P-C4'-P energy: -75.741 tors. eta vs tors. theta energy: -165.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1850.515684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.515684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.515684 (E_RNA) where: Base-Base interactions energy: -1304.895 where: short stacking energy: -588.133 Base-Backbone interact. energy: -2.732 local terms energy: -542.888352 where: bonds (distance) C4'-P energy: -85.908 bonds (distance) P-C4' energy: -92.018 flat angles C4'-P-C4' energy: -117.330 flat angles P-C4'-P energy: -85.648 tors. eta vs tors. theta energy: -161.984 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: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1780.092072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.092072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.092072 (E_RNA) where: Base-Base interactions energy: -1267.152 where: short stacking energy: -573.068 Base-Backbone interact. energy: -1.878 local terms energy: -511.062184 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -89.305 flat angles C4'-P-C4' energy: -106.167 flat angles P-C4'-P energy: -69.826 tors. eta vs tors. theta energy: -155.137 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: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1735.216753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.216753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.216753 (E_RNA) where: Base-Base interactions energy: -1252.661 where: short stacking energy: -564.030 Base-Backbone interact. energy: -0.405 local terms energy: -482.149988 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -83.457 flat angles C4'-P-C4' energy: -98.233 flat angles P-C4'-P energy: -65.315 tors. eta vs tors. theta energy: -154.208 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: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1712.827590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.827590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.827590 (E_RNA) where: Base-Base interactions energy: -1220.220 where: short stacking energy: -561.994 Base-Backbone interact. energy: -2.047 local terms energy: -490.560919 where: bonds (distance) C4'-P energy: -89.992 bonds (distance) P-C4' energy: -74.455 flat angles C4'-P-C4' energy: -108.576 flat angles P-C4'-P energy: -67.159 tors. eta vs tors. theta energy: -150.380 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: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1567.028275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.028275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.028275 (E_RNA) where: Base-Base interactions energy: -1113.900 where: short stacking energy: -526.892 Base-Backbone interact. energy: 3.725 local terms energy: -456.852926 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -86.224 flat angles C4'-P-C4' energy: -100.825 flat angles P-C4'-P energy: -66.729 tors. eta vs tors. theta energy: -138.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1545.696296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.696296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.696296 (E_RNA) where: Base-Base interactions energy: -1094.143 where: short stacking energy: -511.846 Base-Backbone interact. energy: 0.030 local terms energy: -451.583622 where: bonds (distance) C4'-P energy: -72.876 bonds (distance) P-C4' energy: -88.226 flat angles C4'-P-C4' energy: -101.220 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -133.572 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: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1490.676723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.676723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.676723 (E_RNA) where: Base-Base interactions energy: -1070.864 where: short stacking energy: -489.560 Base-Backbone interact. energy: -1.360 local terms energy: -418.453085 where: bonds (distance) C4'-P energy: -67.397 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -93.000 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: -135.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1198.069169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.069169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.069169 (E_RNA) where: Base-Base interactions energy: -844.535 where: short stacking energy: -397.719 Base-Backbone interact. energy: -1.031 local terms energy: -352.503981 where: bonds (distance) C4'-P energy: -73.201 bonds (distance) P-C4' energy: -63.312 flat angles C4'-P-C4' energy: -83.673 flat angles P-C4'-P energy: -30.480 tors. eta vs tors. theta energy: -101.838 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: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1980.833099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.833099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.833099 (E_RNA) where: Base-Base interactions energy: -1420.723 where: short stacking energy: -632.007 Base-Backbone interact. energy: -0.956 local terms energy: -559.153316 where: bonds (distance) C4'-P energy: -92.085 bonds (distance) P-C4' energy: -103.910 flat angles C4'-P-C4' energy: -118.943 flat angles P-C4'-P energy: -74.552 tors. eta vs tors. theta energy: -169.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1910.647397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.647397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.647397 (E_RNA) where: Base-Base interactions energy: -1361.481 where: short stacking energy: -620.385 Base-Backbone interact. energy: -1.159 local terms energy: -548.007124 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -99.221 flat angles C4'-P-C4' energy: -117.654 flat angles P-C4'-P energy: -66.500 tors. eta vs tors. theta energy: -171.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1838.536637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.536637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.536637 (E_RNA) where: Base-Base interactions energy: -1308.654 where: short stacking energy: -587.370 Base-Backbone interact. energy: -2.042 local terms energy: -527.840849 where: bonds (distance) C4'-P energy: -88.321 bonds (distance) P-C4' energy: -98.090 flat angles C4'-P-C4' energy: -108.995 flat angles P-C4'-P energy: -73.150 tors. eta vs tors. theta energy: -159.285 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: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1778.114085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.114085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.114085 (E_RNA) where: Base-Base interactions energy: -1292.414 where: short stacking energy: -577.498 Base-Backbone interact. energy: -1.003 local terms energy: -484.698010 where: bonds (distance) C4'-P energy: -82.941 bonds (distance) P-C4' energy: -82.771 flat angles C4'-P-C4' energy: -101.214 flat angles P-C4'-P energy: -64.277 tors. eta vs tors. theta energy: -153.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1766.005496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.005496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.005496 (E_RNA) where: Base-Base interactions energy: -1253.563 where: short stacking energy: -576.020 Base-Backbone interact. energy: 5.051 local terms energy: -517.493752 where: bonds (distance) C4'-P energy: -85.156 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -113.693 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -165.152 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: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1694.497986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.497986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.497986 (E_RNA) where: Base-Base interactions energy: -1199.909 where: short stacking energy: -545.214 Base-Backbone interact. energy: -1.020 local terms energy: -493.569147 where: bonds (distance) C4'-P energy: -91.570 bonds (distance) P-C4' energy: -86.475 flat angles C4'-P-C4' energy: -100.630 flat angles P-C4'-P energy: -67.102 tors. eta vs tors. theta energy: -147.792 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: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1632.922415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.922415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.922415 (E_RNA) where: Base-Base interactions energy: -1164.632 where: short stacking energy: -527.118 Base-Backbone interact. energy: 1.747 local terms energy: -470.037098 where: bonds (distance) C4'-P energy: -86.362 bonds (distance) P-C4' energy: -76.214 flat angles C4'-P-C4' energy: -100.235 flat angles P-C4'-P energy: -66.673 tors. eta vs tors. theta energy: -140.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1530.662718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.662718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.662718 (E_RNA) where: Base-Base interactions energy: -1088.860 where: short stacking energy: -531.358 Base-Backbone interact. energy: -2.001 local terms energy: -439.802187 where: bonds (distance) C4'-P energy: -76.489 bonds (distance) P-C4' energy: -73.275 flat angles C4'-P-C4' energy: -86.348 flat angles P-C4'-P energy: -62.336 tors. eta vs tors. theta energy: -141.355 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: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1516.615310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.615310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.615310 (E_RNA) where: Base-Base interactions energy: -1070.478 where: short stacking energy: -502.463 Base-Backbone interact. energy: -2.103 local terms energy: -444.035245 where: bonds (distance) C4'-P energy: -74.451 bonds (distance) P-C4' energy: -84.588 flat angles C4'-P-C4' energy: -98.655 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -135.034 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: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1197.320797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.320797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.320797 (E_RNA) where: Base-Base interactions energy: -833.744 where: short stacking energy: -386.784 Base-Backbone interact. energy: -1.334 local terms energy: -362.243125 where: bonds (distance) C4'-P energy: -81.346 bonds (distance) P-C4' energy: -70.156 flat angles C4'-P-C4' energy: -81.026 flat angles P-C4'-P energy: -40.158 tors. eta vs tors. theta energy: -89.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1967.973738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.973738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.973738 (E_RNA) where: Base-Base interactions energy: -1412.541 where: short stacking energy: -631.498 Base-Backbone interact. energy: 0.479 local terms energy: -555.911618 where: bonds (distance) C4'-P energy: -86.677 bonds (distance) P-C4' energy: -101.789 flat angles C4'-P-C4' energy: -113.279 flat angles P-C4'-P energy: -88.160 tors. eta vs tors. theta energy: -166.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1906.748764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.748764 (E_RNA) where: Base-Base interactions energy: -1361.705 where: short stacking energy: -619.069 Base-Backbone interact. energy: -2.243 local terms energy: -542.800519 where: bonds (distance) C4'-P energy: -90.833 bonds (distance) P-C4' energy: -100.072 flat angles C4'-P-C4' energy: -106.290 flat angles P-C4'-P energy: -76.929 tors. eta vs tors. theta energy: -168.677 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: 393 Temperature: 1.000000 Total energy: -1824.403887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.403887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.403887 (E_RNA) where: Base-Base interactions energy: -1298.929 where: short stacking energy: -591.423 Base-Backbone interact. energy: -1.555 local terms energy: -523.920543 where: bonds (distance) C4'-P energy: -86.084 bonds (distance) P-C4' energy: -91.702 flat angles C4'-P-C4' energy: -115.678 flat angles P-C4'-P energy: -72.427 tors. eta vs tors. theta energy: -158.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1786.736374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.736374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.736374 (E_RNA) where: Base-Base interactions energy: -1279.737 where: short stacking energy: -555.134 Base-Backbone interact. energy: -2.153 local terms energy: -504.846574 where: bonds (distance) C4'-P energy: -84.611 bonds (distance) P-C4' energy: -100.050 flat angles C4'-P-C4' energy: -106.573 flat angles P-C4'-P energy: -66.105 tors. eta vs tors. theta energy: -147.508 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: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1740.373219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.373219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.373219 (E_RNA) where: Base-Base interactions energy: -1253.499 where: short stacking energy: -583.058 Base-Backbone interact. energy: -0.632 local terms energy: -486.241837 where: bonds (distance) C4'-P energy: -91.782 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -108.119 flat angles P-C4'-P energy: -58.573 tors. eta vs tors. theta energy: -154.810 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: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1675.355426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.355426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.355426 (E_RNA) where: Base-Base interactions energy: -1185.662 where: short stacking energy: -537.910 Base-Backbone interact. energy: -0.745 local terms energy: -488.948460 where: bonds (distance) C4'-P energy: -85.062 bonds (distance) P-C4' energy: -80.255 flat angles C4'-P-C4' energy: -104.181 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -144.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1656.241126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.241126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.241126 (E_RNA) where: Base-Base interactions energy: -1194.783 where: short stacking energy: -534.136 Base-Backbone interact. energy: -1.813 local terms energy: -459.645142 where: bonds (distance) C4'-P energy: -80.628 bonds (distance) P-C4' energy: -93.044 flat angles C4'-P-C4' energy: -99.623 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -138.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1565.738769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.738769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.738769 (E_RNA) where: Base-Base interactions energy: -1117.313 where: short stacking energy: -515.734 Base-Backbone interact. energy: -0.146 local terms energy: -448.279361 where: bonds (distance) C4'-P energy: -79.837 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -102.159 flat angles P-C4'-P energy: -55.177 tors. eta vs tors. theta energy: -143.195 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: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1482.938911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.938911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.938911 (E_RNA) where: Base-Base interactions energy: -1064.018 where: short stacking energy: -486.283 Base-Backbone interact. energy: -1.792 local terms energy: -417.129209 where: bonds (distance) C4'-P energy: -68.513 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -101.837 flat angles P-C4'-P energy: -45.010 tors. eta vs tors. theta energy: -136.498 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: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1192.523763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.523763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.523763 (E_RNA) where: Base-Base interactions energy: -815.259 where: short stacking energy: -381.961 Base-Backbone interact. energy: -1.749 local terms energy: -375.515068 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -83.463 flat angles C4'-P-C4' energy: -80.177 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: -90.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1964.890603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.890603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.890603 (E_RNA) where: Base-Base interactions energy: -1418.779 where: short stacking energy: -636.295 Base-Backbone interact. energy: -1.327 local terms energy: -544.783908 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -85.923 flat angles C4'-P-C4' energy: -117.178 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -168.351 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: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1909.209737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.209737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.209737 (E_RNA) where: Base-Base interactions energy: -1367.071 where: short stacking energy: -619.498 Base-Backbone interact. energy: -0.812 local terms energy: -541.326893 where: bonds (distance) C4'-P energy: -99.306 bonds (distance) P-C4' energy: -90.468 flat angles C4'-P-C4' energy: -107.305 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -167.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1822.347651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.347651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.347651 (E_RNA) where: Base-Base interactions energy: -1304.543 where: short stacking energy: -596.078 Base-Backbone interact. energy: 0.255 local terms energy: -518.058950 where: bonds (distance) C4'-P energy: -85.457 bonds (distance) P-C4' energy: -91.879 flat angles C4'-P-C4' energy: -111.355 flat angles P-C4'-P energy: -69.888 tors. eta vs tors. theta energy: -159.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1784.125999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.125999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.125999 (E_RNA) where: Base-Base interactions energy: -1268.299 where: short stacking energy: -553.242 Base-Backbone interact. energy: -1.765 local terms energy: -514.061498 where: bonds (distance) C4'-P energy: -97.650 bonds (distance) P-C4' energy: -89.404 flat angles C4'-P-C4' energy: -100.975 flat angles P-C4'-P energy: -73.055 tors. eta vs tors. theta energy: -152.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1771.750545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.750545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.750545 (E_RNA) where: Base-Base interactions energy: -1260.953 where: short stacking energy: -568.210 Base-Backbone interact. energy: -1.321 local terms energy: -509.476857 where: bonds (distance) C4'-P energy: -81.809 bonds (distance) P-C4' energy: -94.780 flat angles C4'-P-C4' energy: -112.359 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -152.727 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: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1715.739390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.739390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.739390 (E_RNA) where: Base-Base interactions energy: -1223.987 where: short stacking energy: -557.598 Base-Backbone interact. energy: -2.967 local terms energy: -488.785718 where: bonds (distance) C4'-P energy: -75.439 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -107.082 flat angles P-C4'-P energy: -68.671 tors. eta vs tors. theta energy: -147.031 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: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1605.386074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.386074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.386074 (E_RNA) where: Base-Base interactions energy: -1149.281 where: short stacking energy: -552.679 Base-Backbone interact. energy: -2.002 local terms energy: -454.102934 where: bonds (distance) C4'-P energy: -62.528 bonds (distance) P-C4' energy: -75.780 flat angles C4'-P-C4' energy: -106.430 flat angles P-C4'-P energy: -66.143 tors. eta vs tors. theta energy: -143.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1569.520522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.520522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.520522 (E_RNA) where: Base-Base interactions energy: -1129.149 where: short stacking energy: -507.093 Base-Backbone interact. energy: -1.391 local terms energy: -438.980383 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -68.075 flat angles C4'-P-C4' energy: -100.800 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -140.741 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: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1499.738432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.738432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.738432 (E_RNA) where: Base-Base interactions energy: -1078.497 where: short stacking energy: -493.431 Base-Backbone interact. energy: -1.028 local terms energy: -420.213147 where: bonds (distance) C4'-P energy: -73.912 bonds (distance) P-C4' energy: -74.405 flat angles C4'-P-C4' energy: -96.447 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -133.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1234.109024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.109024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.109024 (E_RNA) where: Base-Base interactions energy: -854.761 where: short stacking energy: -404.776 Base-Backbone interact. energy: -2.259 local terms energy: -377.089526 where: bonds (distance) C4'-P energy: -57.036 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -85.768 flat angles P-C4'-P energy: -63.276 tors. eta vs tors. theta energy: -102.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1978.001542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.001542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.001542 (E_RNA) where: Base-Base interactions energy: -1432.486 where: short stacking energy: -640.285 Base-Backbone interact. energy: -1.159 local terms energy: -544.356034 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -93.793 flat angles C4'-P-C4' energy: -116.428 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -171.480 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: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1918.510851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.510851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.510851 (E_RNA) where: Base-Base interactions energy: -1384.366 where: short stacking energy: -659.088 Base-Backbone interact. energy: -1.790 local terms energy: -532.354549 where: bonds (distance) C4'-P energy: -89.575 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -72.458 tors. eta vs tors. theta energy: -170.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1830.893314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.893314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.893314 (E_RNA) where: Base-Base interactions energy: -1286.278 where: short stacking energy: -573.480 Base-Backbone interact. energy: -2.102 local terms energy: -542.513210 where: bonds (distance) C4'-P energy: -96.248 bonds (distance) P-C4' energy: -89.372 flat angles C4'-P-C4' energy: -114.805 flat angles P-C4'-P energy: -80.603 tors. eta vs tors. theta energy: -161.485 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: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1791.607985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.607985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.607985 (E_RNA) where: Base-Base interactions energy: -1275.565 where: short stacking energy: -576.891 Base-Backbone interact. energy: 1.801 local terms energy: -517.844702 where: bonds (distance) C4'-P energy: -100.694 bonds (distance) P-C4' energy: -81.950 flat angles C4'-P-C4' energy: -109.870 flat angles P-C4'-P energy: -72.809 tors. eta vs tors. theta energy: -152.522 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: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1772.640121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.640121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.640121 (E_RNA) where: Base-Base interactions energy: -1260.689 where: short stacking energy: -592.570 Base-Backbone interact. energy: -0.638 local terms energy: -511.313007 where: bonds (distance) C4'-P energy: -87.528 bonds (distance) P-C4' energy: -96.292 flat angles C4'-P-C4' energy: -106.314 flat angles P-C4'-P energy: -69.136 tors. eta vs tors. theta energy: -152.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1717.500963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.500963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.500963 (E_RNA) where: Base-Base interactions energy: -1263.544 where: short stacking energy: -572.528 Base-Backbone interact. energy: 1.162 local terms energy: -455.118389 where: bonds (distance) C4'-P energy: -68.438 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -98.966 flat angles P-C4'-P energy: -73.568 tors. eta vs tors. theta energy: -145.879 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: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1614.871132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.871132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.871132 (E_RNA) where: Base-Base interactions energy: -1137.918 where: short stacking energy: -539.424 Base-Backbone interact. energy: -0.814 local terms energy: -476.139161 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -78.338 flat angles C4'-P-C4' energy: -104.585 flat angles P-C4'-P energy: -61.293 tors. eta vs tors. theta energy: -147.853 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: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1594.290533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.290533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.290533 (E_RNA) where: Base-Base interactions energy: -1144.886 where: short stacking energy: -512.105 Base-Backbone interact. energy: -0.688 local terms energy: -448.716721 where: bonds (distance) C4'-P energy: -75.223 bonds (distance) P-C4' energy: -80.315 flat angles C4'-P-C4' energy: -91.649 flat angles P-C4'-P energy: -58.804 tors. eta vs tors. theta energy: -142.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1434.646489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.646489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.646489 (E_RNA) where: Base-Base interactions energy: -1052.470 where: short stacking energy: -462.022 Base-Backbone interact. energy: 0.654 local terms energy: -382.830369 where: bonds (distance) C4'-P energy: -65.025 bonds (distance) P-C4' energy: -54.736 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -117.479 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: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1204.145859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.145859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.145859 (E_RNA) where: Base-Base interactions energy: -892.015 where: short stacking energy: -415.070 Base-Backbone interact. energy: 3.234 local terms energy: -315.364928 where: bonds (distance) C4'-P energy: -48.569 bonds (distance) P-C4' energy: -72.380 flat angles C4'-P-C4' energy: -68.219 flat angles P-C4'-P energy: -33.964 tors. eta vs tors. theta energy: -92.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1966.356632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.356632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.356632 (E_RNA) where: Base-Base interactions energy: -1417.993 where: short stacking energy: -627.361 Base-Backbone interact. energy: -0.800 local terms energy: -547.564079 where: bonds (distance) C4'-P energy: -82.614 bonds (distance) P-C4' energy: -97.199 flat angles C4'-P-C4' energy: -114.422 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -175.339 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: 396 Temperature: 0.950000 Total energy: -1912.574062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.574062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.574062 (E_RNA) where: Base-Base interactions energy: -1389.590 where: short stacking energy: -636.340 Base-Backbone interact. energy: -1.521 local terms energy: -521.463246 where: bonds (distance) C4'-P energy: -76.724 bonds (distance) P-C4' energy: -91.033 flat angles C4'-P-C4' energy: -113.226 flat angles P-C4'-P energy: -75.458 tors. eta vs tors. theta energy: -165.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1815.468554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.468554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.468554 (E_RNA) where: Base-Base interactions energy: -1314.629 where: short stacking energy: -594.771 Base-Backbone interact. energy: -1.216 local terms energy: -499.624267 where: bonds (distance) C4'-P energy: -86.099 bonds (distance) P-C4' energy: -97.493 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -64.579 tors. eta vs tors. theta energy: -154.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1767.535527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.535527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.535527 (E_RNA) where: Base-Base interactions energy: -1269.550 where: short stacking energy: -595.425 Base-Backbone interact. energy: -3.315 local terms energy: -494.670810 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -105.315 flat angles P-C4'-P energy: -66.995 tors. eta vs tors. theta energy: -154.623 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: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1778.566814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.566814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.566814 (E_RNA) where: Base-Base interactions energy: -1270.924 where: short stacking energy: -561.212 Base-Backbone interact. energy: -1.787 local terms energy: -505.856554 where: bonds (distance) C4'-P energy: -92.068 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -65.972 tors. eta vs tors. theta energy: -153.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1694.576788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.576788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.576788 (E_RNA) where: Base-Base interactions energy: -1220.407 where: short stacking energy: -538.981 Base-Backbone interact. energy: -2.428 local terms energy: -471.741297 where: bonds (distance) C4'-P energy: -68.448 bonds (distance) P-C4' energy: -84.329 flat angles C4'-P-C4' energy: -102.370 flat angles P-C4'-P energy: -71.310 tors. eta vs tors. theta energy: -145.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1602.829453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.829453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.829453 (E_RNA) where: Base-Base interactions energy: -1130.350 where: short stacking energy: -540.920 Base-Backbone interact. energy: -1.750 local terms energy: -470.729572 where: bonds (distance) C4'-P energy: -85.020 bonds (distance) P-C4' energy: -82.159 flat angles C4'-P-C4' energy: -94.505 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -154.907 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: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1614.232679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.232679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.232679 (E_RNA) where: Base-Base interactions energy: -1161.343 where: short stacking energy: -511.844 Base-Backbone interact. energy: -1.771 local terms energy: -451.119149 where: bonds (distance) C4'-P energy: -74.386 bonds (distance) P-C4' energy: -80.088 flat angles C4'-P-C4' energy: -90.698 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -144.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1469.545262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.545262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.545262 (E_RNA) where: Base-Base interactions energy: -1050.248 where: short stacking energy: -479.148 Base-Backbone interact. energy: -1.187 local terms energy: -418.110263 where: bonds (distance) C4'-P energy: -74.020 bonds (distance) P-C4' energy: -79.291 flat angles C4'-P-C4' energy: -86.029 flat angles P-C4'-P energy: -58.338 tors. eta vs tors. theta energy: -120.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1283.182436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.182436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.182436 (E_RNA) where: Base-Base interactions energy: -880.954 where: short stacking energy: -406.953 Base-Backbone interact. energy: -1.751 local terms energy: -400.477436 where: bonds (distance) C4'-P energy: -71.721 bonds (distance) P-C4' energy: -80.938 flat angles C4'-P-C4' energy: -84.998 flat angles P-C4'-P energy: -61.079 tors. eta vs tors. theta energy: -101.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1949.763429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.763429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.763429 (E_RNA) where: Base-Base interactions energy: -1397.172 where: short stacking energy: -626.131 Base-Backbone interact. energy: -3.537 local terms energy: -549.054628 where: bonds (distance) C4'-P energy: -98.155 bonds (distance) P-C4' energy: -92.206 flat angles C4'-P-C4' energy: -113.931 flat angles P-C4'-P energy: -79.584 tors. eta vs tors. theta energy: -165.178 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: 397 Temperature: 0.950000 Total energy: -1905.988025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.988025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.988025 (E_RNA) where: Base-Base interactions energy: -1379.845 where: short stacking energy: -635.590 Base-Backbone interact. energy: 0.809 local terms energy: -526.951880 where: bonds (distance) C4'-P energy: -86.531 bonds (distance) P-C4' energy: -92.870 flat angles C4'-P-C4' energy: -104.791 flat angles P-C4'-P energy: -74.646 tors. eta vs tors. theta energy: -168.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1853.570356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.570356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.570356 (E_RNA) where: Base-Base interactions energy: -1343.736 where: short stacking energy: -603.615 Base-Backbone interact. energy: -1.065 local terms energy: -508.769178 where: bonds (distance) C4'-P energy: -88.697 bonds (distance) P-C4' energy: -89.118 flat angles C4'-P-C4' energy: -107.710 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -155.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1770.658750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.658750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.658750 (E_RNA) where: Base-Base interactions energy: -1253.445 where: short stacking energy: -562.805 Base-Backbone interact. energy: -1.859 local terms energy: -515.354686 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -84.820 flat angles C4'-P-C4' energy: -106.334 flat angles P-C4'-P energy: -76.163 tors. eta vs tors. theta energy: -154.804 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: 397 Temperature: 1.100000 Total energy: -1741.376342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.376342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.376342 (E_RNA) where: Base-Base interactions energy: -1249.219 where: short stacking energy: -559.027 Base-Backbone interact. energy: -1.867 local terms energy: -490.290697 where: bonds (distance) C4'-P energy: -82.857 bonds (distance) P-C4' energy: -95.643 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -61.678 tors. eta vs tors. theta energy: -151.331 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: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1691.560423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.560423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.560423 (E_RNA) where: Base-Base interactions energy: -1230.232 where: short stacking energy: -550.365 Base-Backbone interact. energy: -0.885 local terms energy: -460.443634 where: bonds (distance) C4'-P energy: -65.693 bonds (distance) P-C4' energy: -81.765 flat angles C4'-P-C4' energy: -101.297 flat angles P-C4'-P energy: -59.675 tors. eta vs tors. theta energy: -152.015 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: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1594.854988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.854988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.854988 (E_RNA) where: Base-Base interactions energy: -1110.799 where: short stacking energy: -514.095 Base-Backbone interact. energy: -1.022 local terms energy: -483.034091 where: bonds (distance) C4'-P energy: -103.624 bonds (distance) P-C4' energy: -77.500 flat angles C4'-P-C4' energy: -101.825 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -134.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1621.445966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.445966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.445966 (E_RNA) where: Base-Base interactions energy: -1181.042 where: short stacking energy: -518.147 Base-Backbone interact. energy: 2.808 local terms energy: -443.212281 where: bonds (distance) C4'-P energy: -71.875 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -58.518 tors. eta vs tors. theta energy: -133.612 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: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1459.864516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.864516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.864516 (E_RNA) where: Base-Base interactions energy: -1082.937 where: short stacking energy: -475.671 Base-Backbone interact. energy: 1.852 local terms energy: -378.779606 where: bonds (distance) C4'-P energy: -69.307 bonds (distance) P-C4' energy: -59.013 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -47.815 tors. eta vs tors. theta energy: -123.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1331.214003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.214003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.214003 (E_RNA) where: Base-Base interactions energy: -939.304 where: short stacking energy: -432.958 Base-Backbone interact. energy: -1.674 local terms energy: -390.235609 where: bonds (distance) C4'-P energy: -85.691 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -79.183 flat angles P-C4'-P energy: -56.700 tors. eta vs tors. theta energy: -99.337 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: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1937.168170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.168170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.168170 (E_RNA) where: Base-Base interactions energy: -1372.850 where: short stacking energy: -632.517 Base-Backbone interact. energy: -2.071 local terms energy: -562.247230 where: bonds (distance) C4'-P energy: -91.300 bonds (distance) P-C4' energy: -103.712 flat angles C4'-P-C4' energy: -106.105 flat angles P-C4'-P energy: -89.838 tors. eta vs tors. theta energy: -171.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1934.415068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.415068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.415068 (E_RNA) where: Base-Base interactions energy: -1400.155 where: short stacking energy: -624.437 Base-Backbone interact. energy: -0.384 local terms energy: -533.876262 where: bonds (distance) C4'-P energy: -80.949 bonds (distance) P-C4' energy: -89.824 flat angles C4'-P-C4' energy: -117.310 flat angles P-C4'-P energy: -71.609 tors. eta vs tors. theta energy: -174.184 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: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1833.574195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.574195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.574195 (E_RNA) where: Base-Base interactions energy: -1323.495 where: short stacking energy: -591.483 Base-Backbone interact. energy: 0.036 local terms energy: -510.115507 where: bonds (distance) C4'-P energy: -81.176 bonds (distance) P-C4' energy: -94.615 flat angles C4'-P-C4' energy: -108.807 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: -157.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1771.601945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.601945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.601945 (E_RNA) where: Base-Base interactions energy: -1288.163 where: short stacking energy: -576.619 Base-Backbone interact. energy: -3.283 local terms energy: -480.155832 where: bonds (distance) C4'-P energy: -82.123 bonds (distance) P-C4' energy: -81.130 flat angles C4'-P-C4' energy: -102.899 flat angles P-C4'-P energy: -63.340 tors. eta vs tors. theta energy: -150.663 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: 398 Temperature: 1.100000 Total energy: -1746.030199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.030199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.030199 (E_RNA) where: Base-Base interactions energy: -1264.285 where: short stacking energy: -554.360 Base-Backbone interact. energy: -2.205 local terms energy: -479.539956 where: bonds (distance) C4'-P energy: -76.478 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -68.896 tors. eta vs tors. theta energy: -154.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1676.312299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.312299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.312299 (E_RNA) where: Base-Base interactions energy: -1216.025 where: short stacking energy: -540.604 Base-Backbone interact. energy: -2.253 local terms energy: -458.034719 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -61.969 flat angles C4'-P-C4' energy: -102.042 flat angles P-C4'-P energy: -71.851 tors. eta vs tors. theta energy: -146.773 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: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1650.879274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.879274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.879274 (E_RNA) where: Base-Base interactions energy: -1208.057 where: short stacking energy: -549.296 Base-Backbone interact. energy: 0.575 local terms energy: -443.396858 where: bonds (distance) C4'-P energy: -72.100 bonds (distance) P-C4' energy: -78.149 flat angles C4'-P-C4' energy: -91.047 flat angles P-C4'-P energy: -54.213 tors. eta vs tors. theta energy: -147.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1575.303692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.303692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.303692 (E_RNA) where: Base-Base interactions energy: -1100.509 where: short stacking energy: -511.903 Base-Backbone interact. energy: -1.320 local terms energy: -473.474364 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -81.959 flat angles C4'-P-C4' energy: -107.943 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -141.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1507.749894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.749894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.749894 (E_RNA) where: Base-Base interactions energy: -1085.721 where: short stacking energy: -466.663 Base-Backbone interact. energy: -1.343 local terms energy: -420.685323 where: bonds (distance) C4'-P energy: -67.813 bonds (distance) P-C4' energy: -74.463 flat angles C4'-P-C4' energy: -97.864 flat angles P-C4'-P energy: -58.188 tors. eta vs tors. theta energy: -122.357 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: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1274.797061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.797061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.797061 (E_RNA) where: Base-Base interactions energy: -897.659 where: short stacking energy: -412.074 Base-Backbone interact. energy: 0.075 local terms energy: -377.212879 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -71.263 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -54.277 tors. eta vs tors. theta energy: -91.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1965.240936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.240936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.240936 (E_RNA) where: Base-Base interactions energy: -1409.799 where: short stacking energy: -648.321 Base-Backbone interact. energy: -5.667 local terms energy: -549.774479 where: bonds (distance) C4'-P energy: -99.785 bonds (distance) P-C4' energy: -92.901 flat angles C4'-P-C4' energy: -111.975 flat angles P-C4'-P energy: -73.067 tors. eta vs tors. theta energy: -172.046 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: 2, replica: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1936.562048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.562048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.562048 (E_RNA) where: Base-Base interactions energy: -1412.970 where: short stacking energy: -633.464 Base-Backbone interact. energy: 0.726 local terms energy: -524.318798 where: bonds (distance) C4'-P energy: -82.364 bonds (distance) P-C4' energy: -95.305 flat angles C4'-P-C4' energy: -106.128 flat angles P-C4'-P energy: -71.901 tors. eta vs tors. theta energy: -168.620 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: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1821.099723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.099723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.099723 (E_RNA) where: Base-Base interactions energy: -1294.641 where: short stacking energy: -579.168 Base-Backbone interact. energy: -0.843 local terms energy: -525.616129 where: bonds (distance) C4'-P energy: -91.097 bonds (distance) P-C4' energy: -95.414 flat angles C4'-P-C4' energy: -107.775 flat angles P-C4'-P energy: -71.072 tors. eta vs tors. theta energy: -160.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1766.400906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.400906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.400906 (E_RNA) where: Base-Base interactions energy: -1278.108 where: short stacking energy: -568.703 Base-Backbone interact. energy: 0.302 local terms energy: -488.594936 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -84.862 flat angles C4'-P-C4' energy: -112.616 flat angles P-C4'-P energy: -70.327 tors. eta vs tors. theta energy: -149.179 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: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1713.143008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.143008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.143008 (E_RNA) where: Base-Base interactions energy: -1239.272 where: short stacking energy: -568.439 Base-Backbone interact. energy: -0.455 local terms energy: -473.416132 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -84.557 flat angles C4'-P-C4' energy: -102.104 flat angles P-C4'-P energy: -65.148 tors. eta vs tors. theta energy: -148.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1696.362853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.362853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.362853 (E_RNA) where: Base-Base interactions energy: -1243.214 where: short stacking energy: -568.683 Base-Backbone interact. energy: 0.252 local terms energy: -453.401151 where: bonds (distance) C4'-P energy: -69.649 bonds (distance) P-C4' energy: -89.319 flat angles C4'-P-C4' energy: -92.135 flat angles P-C4'-P energy: -51.233 tors. eta vs tors. theta energy: -151.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1696.308840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.308840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.308840 (E_RNA) where: Base-Base interactions energy: -1219.615 where: short stacking energy: -541.980 Base-Backbone interact. energy: -1.617 local terms energy: -475.076040 where: bonds (distance) C4'-P energy: -75.166 bonds (distance) P-C4' energy: -89.846 flat angles C4'-P-C4' energy: -101.000 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: -147.304 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: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1570.262918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.262918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.262918 (E_RNA) where: Base-Base interactions energy: -1164.225 where: short stacking energy: -512.918 Base-Backbone interact. energy: 3.403 local terms energy: -409.440853 where: bonds (distance) C4'-P energy: -89.755 bonds (distance) P-C4' energy: -55.866 flat angles C4'-P-C4' energy: -85.041 flat angles P-C4'-P energy: -42.508 tors. eta vs tors. theta energy: -136.272 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: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1557.632250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.632250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.632250 (E_RNA) where: Base-Base interactions energy: -1099.002 where: short stacking energy: -510.863 Base-Backbone interact. energy: -0.290 local terms energy: -458.340266 where: bonds (distance) C4'-P energy: -72.801 bonds (distance) P-C4' energy: -83.755 flat angles C4'-P-C4' energy: -92.739 flat angles P-C4'-P energy: -69.240 tors. eta vs tors. theta energy: -139.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1258.162737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.162737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.162737 (E_RNA) where: Base-Base interactions energy: -868.798 where: short stacking energy: -397.636 Base-Backbone interact. energy: -0.901 local terms energy: -388.464211 where: bonds (distance) C4'-P energy: -79.241 bonds (distance) P-C4' energy: -84.253 flat angles C4'-P-C4' energy: -82.650 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -100.453 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: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1976.068686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.068686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.068686 (E_RNA) where: Base-Base interactions energy: -1436.264 where: short stacking energy: -657.319 Base-Backbone interact. energy: -1.798 local terms energy: -538.006031 where: bonds (distance) C4'-P energy: -92.608 bonds (distance) P-C4' energy: -88.289 flat angles C4'-P-C4' energy: -106.739 flat angles P-C4'-P energy: -75.941 tors. eta vs tors. theta energy: -174.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1911.878998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.878998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.878998 (E_RNA) where: Base-Base interactions energy: -1364.740 where: short stacking energy: -626.168 Base-Backbone interact. energy: -1.700 local terms energy: -545.438489 where: bonds (distance) C4'-P energy: -84.826 bonds (distance) P-C4' energy: -95.976 flat angles C4'-P-C4' energy: -120.996 flat angles P-C4'-P energy: -76.388 tors. eta vs tors. theta energy: -167.253 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: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1847.125520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.125520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.125520 (E_RNA) where: Base-Base interactions energy: -1341.447 where: short stacking energy: -592.755 Base-Backbone interact. energy: -0.359 local terms energy: -505.318740 where: bonds (distance) C4'-P energy: -88.180 bonds (distance) P-C4' energy: -94.681 flat angles C4'-P-C4' energy: -100.829 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -151.374 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: 400 Temperature: 1.050000 Total energy: -1802.163714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.163714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.163714 (E_RNA) where: Base-Base interactions energy: -1303.853 where: short stacking energy: -590.708 Base-Backbone interact. energy: -2.847 local terms energy: -495.463051 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -73.668 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -71.423 tors. eta vs tors. theta energy: -156.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1745.159466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.159466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.159466 (E_RNA) where: Base-Base interactions energy: -1251.261 where: short stacking energy: -563.243 Base-Backbone interact. energy: -2.519 local terms energy: -491.379717 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -87.566 flat angles C4'-P-C4' energy: -100.357 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -148.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1703.476825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.476825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.476825 (E_RNA) where: Base-Base interactions energy: -1221.563 where: short stacking energy: -546.685 Base-Backbone interact. energy: -1.497 local terms energy: -480.417435 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -82.506 flat angles C4'-P-C4' energy: -102.518 flat angles P-C4'-P energy: -66.507 tors. eta vs tors. theta energy: -145.331 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1669.115843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.115843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.115843 (E_RNA) where: Base-Base interactions energy: -1231.526 where: short stacking energy: -543.564 Base-Backbone interact. energy: 0.475 local terms energy: -438.064125 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -76.492 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -59.437 tors. eta vs tors. theta energy: -138.732 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: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1596.103648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.103648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.103648 (E_RNA) where: Base-Base interactions energy: -1163.375 where: short stacking energy: -522.402 Base-Backbone interact. energy: -1.388 local terms energy: -431.341457 where: bonds (distance) C4'-P energy: -78.301 bonds (distance) P-C4' energy: -65.903 flat angles C4'-P-C4' energy: -92.906 flat angles P-C4'-P energy: -56.470 tors. eta vs tors. theta energy: -137.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1518.320744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.320744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.320744 (E_RNA) where: Base-Base interactions energy: -1085.445 where: short stacking energy: -513.786 Base-Backbone interact. energy: -0.152 local terms energy: -432.723629 where: bonds (distance) C4'-P energy: -76.745 bonds (distance) P-C4' energy: -66.775 flat angles C4'-P-C4' energy: -90.644 flat angles P-C4'-P energy: -61.208 tors. eta vs tors. theta energy: -137.352 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: 400 Temperature: 1.350000 Total energy: -1250.250975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.250975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.250975 (E_RNA) where: Base-Base interactions energy: -910.643 where: short stacking energy: -427.923 Base-Backbone interact. energy: 2.780 local terms energy: -342.387815 where: bonds (distance) C4'-P energy: -67.512 bonds (distance) P-C4' energy: -59.811 flat angles C4'-P-C4' energy: -76.660 flat angles P-C4'-P energy: -38.372 tors. eta vs tors. theta energy: -100.033 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: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1966.314432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.314432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.314432 (E_RNA) where: Base-Base interactions energy: -1434.289 where: short stacking energy: -647.534 Base-Backbone interact. energy: -0.350 local terms energy: -531.675270 where: bonds (distance) C4'-P energy: -84.588 bonds (distance) P-C4' energy: -100.189 flat angles C4'-P-C4' energy: -100.832 flat angles P-C4'-P energy: -77.599 tors. eta vs tors. theta energy: -168.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1907.377683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.377683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.377683 (E_RNA) where: Base-Base interactions energy: -1361.226 where: short stacking energy: -625.802 Base-Backbone interact. energy: -1.792 local terms energy: -544.360242 where: bonds (distance) C4'-P energy: -87.008 bonds (distance) P-C4' energy: -98.289 flat angles C4'-P-C4' energy: -108.634 flat angles P-C4'-P energy: -81.555 tors. eta vs tors. theta energy: -168.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1833.249303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.249303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.249303 (E_RNA) where: Base-Base interactions energy: -1302.615 where: short stacking energy: -586.191 Base-Backbone interact. energy: -5.864 local terms energy: -524.769962 where: bonds (distance) C4'-P energy: -90.328 bonds (distance) P-C4' energy: -93.353 flat angles C4'-P-C4' energy: -112.242 flat angles P-C4'-P energy: -69.802 tors. eta vs tors. theta energy: -159.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1776.197227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.197227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.197227 (E_RNA) where: Base-Base interactions energy: -1267.311 where: short stacking energy: -568.164 Base-Backbone interact. energy: 0.197 local terms energy: -509.082736 where: bonds (distance) C4'-P energy: -100.427 bonds (distance) P-C4' energy: -98.787 flat angles C4'-P-C4' energy: -93.516 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -150.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1737.169148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.169148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.169148 (E_RNA) where: Base-Base interactions energy: -1227.868 where: short stacking energy: -563.109 Base-Backbone interact. energy: -2.106 local terms energy: -507.195899 where: bonds (distance) C4'-P energy: -75.465 bonds (distance) P-C4' energy: -95.800 flat angles C4'-P-C4' energy: -108.563 flat angles P-C4'-P energy: -69.419 tors. eta vs tors. theta energy: -157.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1689.055885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.055885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.055885 (E_RNA) where: Base-Base interactions energy: -1216.808 where: short stacking energy: -548.892 Base-Backbone interact. energy: -2.278 local terms energy: -469.970451 where: bonds (distance) C4'-P energy: -78.304 bonds (distance) P-C4' energy: -80.822 flat angles C4'-P-C4' energy: -105.720 flat angles P-C4'-P energy: -60.402 tors. eta vs tors. theta energy: -144.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1644.892738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.892738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.892738 (E_RNA) where: Base-Base interactions energy: -1158.724 where: short stacking energy: -524.573 Base-Backbone interact. energy: -1.019 local terms energy: -485.149025 where: bonds (distance) C4'-P energy: -91.389 bonds (distance) P-C4' energy: -80.982 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -146.874 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: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1591.385065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.385065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.385065 (E_RNA) where: Base-Base interactions energy: -1151.459 where: short stacking energy: -520.535 Base-Backbone interact. energy: -3.714 local terms energy: -436.212390 where: bonds (distance) C4'-P energy: -78.279 bonds (distance) P-C4' energy: -62.245 flat angles C4'-P-C4' energy: -91.378 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -147.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1518.034141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.034141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.034141 (E_RNA) where: Base-Base interactions energy: -1067.685 where: short stacking energy: -492.719 Base-Backbone interact. energy: -1.546 local terms energy: -448.803468 where: bonds (distance) C4'-P energy: -77.652 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -90.600 flat angles P-C4'-P energy: -67.542 tors. eta vs tors. theta energy: -128.292 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: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1231.203314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.203314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.203314 (E_RNA) where: Base-Base interactions energy: -831.464 where: short stacking energy: -367.947 Base-Backbone interact. energy: -1.112 local terms energy: -398.627341 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -80.499 flat angles C4'-P-C4' energy: -83.309 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: -97.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1971.241608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.241608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.241608 (E_RNA) where: Base-Base interactions energy: -1423.052 where: short stacking energy: -649.331 Base-Backbone interact. energy: -1.908 local terms energy: -546.281868 where: bonds (distance) C4'-P energy: -93.491 bonds (distance) P-C4' energy: -95.375 flat angles C4'-P-C4' energy: -114.949 flat angles P-C4'-P energy: -74.524 tors. eta vs tors. theta energy: -167.944 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: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1904.523199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.523199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.523199 (E_RNA) where: Base-Base interactions energy: -1366.063 where: short stacking energy: -609.497 Base-Backbone interact. energy: -1.107 local terms energy: -537.353058 where: bonds (distance) C4'-P energy: -90.786 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -116.277 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -167.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1809.343978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.343978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.343978 (E_RNA) where: Base-Base interactions energy: -1288.470 where: short stacking energy: -577.456 Base-Backbone interact. energy: -3.768 local terms energy: -517.106446 where: bonds (distance) C4'-P energy: -86.921 bonds (distance) P-C4' energy: -89.514 flat angles C4'-P-C4' energy: -112.846 flat angles P-C4'-P energy: -74.072 tors. eta vs tors. theta energy: -153.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1807.365701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.365701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.365701 (E_RNA) where: Base-Base interactions energy: -1294.177 where: short stacking energy: -590.905 Base-Backbone interact. energy: -2.182 local terms energy: -511.006475 where: bonds (distance) C4'-P energy: -74.940 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -108.425 flat angles P-C4'-P energy: -80.611 tors. eta vs tors. theta energy: -158.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1742.626822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.626822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.626822 (E_RNA) where: Base-Base interactions energy: -1246.106 where: short stacking energy: -569.604 Base-Backbone interact. energy: 0.980 local terms energy: -497.500813 where: bonds (distance) C4'-P energy: -88.804 bonds (distance) P-C4' energy: -86.249 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -68.416 tors. eta vs tors. theta energy: -149.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1712.023413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.023413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.023413 (E_RNA) where: Base-Base interactions energy: -1232.521 where: short stacking energy: -559.655 Base-Backbone interact. energy: -0.985 local terms energy: -478.517533 where: bonds (distance) C4'-P energy: -78.728 bonds (distance) P-C4' energy: -79.129 flat angles C4'-P-C4' energy: -104.099 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -150.825 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: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1657.247842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.247842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.247842 (E_RNA) where: Base-Base interactions energy: -1191.172 where: short stacking energy: -521.118 Base-Backbone interact. energy: -1.213 local terms energy: -464.862986 where: bonds (distance) C4'-P energy: -75.058 bonds (distance) P-C4' energy: -86.248 flat angles C4'-P-C4' energy: -98.391 flat angles P-C4'-P energy: -58.548 tors. eta vs tors. theta energy: -146.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1609.729987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.729987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.729987 (E_RNA) where: Base-Base interactions energy: -1149.224 where: short stacking energy: -506.467 Base-Backbone interact. energy: -2.136 local terms energy: -458.369893 where: bonds (distance) C4'-P energy: -85.730 bonds (distance) P-C4' energy: -84.657 flat angles C4'-P-C4' energy: -87.040 flat angles P-C4'-P energy: -67.650 tors. eta vs tors. theta energy: -133.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1516.411197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.411197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.411197 (E_RNA) where: Base-Base interactions energy: -1091.273 where: short stacking energy: -516.806 Base-Backbone interact. energy: -1.102 local terms energy: -424.036150 where: bonds (distance) C4'-P energy: -66.083 bonds (distance) P-C4' energy: -70.753 flat angles C4'-P-C4' energy: -97.182 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -139.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1305.052035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.052035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.052035 (E_RNA) where: Base-Base interactions energy: -911.927 where: short stacking energy: -409.462 Base-Backbone interact. energy: -0.714 local terms energy: -392.410845 where: bonds (distance) C4'-P energy: -86.770 bonds (distance) P-C4' energy: -70.015 flat angles C4'-P-C4' energy: -83.244 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -101.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1963.316717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.316717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.316717 (E_RNA) where: Base-Base interactions energy: -1411.701 where: short stacking energy: -640.451 Base-Backbone interact. energy: 5.208 local terms energy: -556.823584 where: bonds (distance) C4'-P energy: -91.796 bonds (distance) P-C4' energy: -99.502 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -79.056 tors. eta vs tors. theta energy: -171.998 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: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1888.672789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.672789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.672789 (E_RNA) where: Base-Base interactions energy: -1362.795 where: short stacking energy: -614.585 Base-Backbone interact. energy: -1.693 local terms energy: -524.184461 where: bonds (distance) C4'-P energy: -92.304 bonds (distance) P-C4' energy: -89.491 flat angles C4'-P-C4' energy: -112.976 flat angles P-C4'-P energy: -62.030 tors. eta vs tors. theta energy: -167.384 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: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1841.570771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.570771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.570771 (E_RNA) where: Base-Base interactions energy: -1333.980 where: short stacking energy: -603.765 Base-Backbone interact. energy: -1.961 local terms energy: -505.629291 where: bonds (distance) C4'-P energy: -98.530 bonds (distance) P-C4' energy: -79.612 flat angles C4'-P-C4' energy: -103.266 flat angles P-C4'-P energy: -65.089 tors. eta vs tors. theta energy: -159.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1783.701313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.701313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.701313 (E_RNA) where: Base-Base interactions energy: -1267.643 where: short stacking energy: -586.775 Base-Backbone interact. energy: -3.369 local terms energy: -512.689058 where: bonds (distance) C4'-P energy: -80.827 bonds (distance) P-C4' energy: -86.152 flat angles C4'-P-C4' energy: -109.272 flat angles P-C4'-P energy: -79.739 tors. eta vs tors. theta energy: -156.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1760.810197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.810197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.810197 (E_RNA) where: Base-Base interactions energy: -1270.407 where: short stacking energy: -578.589 Base-Backbone interact. energy: 0.027 local terms energy: -490.429761 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -109.591 flat angles P-C4'-P energy: -71.792 tors. eta vs tors. theta energy: -151.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1707.478598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.478598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.478598 (E_RNA) where: Base-Base interactions energy: -1246.363 where: short stacking energy: -551.629 Base-Backbone interact. energy: -1.457 local terms energy: -459.658694 where: bonds (distance) C4'-P energy: -68.468 bonds (distance) P-C4' energy: -73.319 flat angles C4'-P-C4' energy: -102.336 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -147.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1637.316024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.316024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.316024 (E_RNA) where: Base-Base interactions energy: -1178.850 where: short stacking energy: -521.220 Base-Backbone interact. energy: -2.745 local terms energy: -455.720698 where: bonds (distance) C4'-P energy: -66.186 bonds (distance) P-C4' energy: -89.301 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -144.076 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: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1597.579341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.579341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.579341 (E_RNA) where: Base-Base interactions energy: -1162.761 where: short stacking energy: -531.038 Base-Backbone interact. energy: -1.086 local terms energy: -433.732480 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -83.227 flat angles C4'-P-C4' energy: -81.497 flat angles P-C4'-P energy: -50.486 tors. eta vs tors. theta energy: -139.367 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: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1476.575616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.575616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.575616 (E_RNA) where: Base-Base interactions energy: -1043.042 where: short stacking energy: -481.618 Base-Backbone interact. energy: -0.475 local terms energy: -433.058652 where: bonds (distance) C4'-P energy: -70.740 bonds (distance) P-C4' energy: -71.929 flat angles C4'-P-C4' energy: -98.977 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: -127.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1355.557769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.557769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.557769 (E_RNA) where: Base-Base interactions energy: -965.127 where: short stacking energy: -478.883 Base-Backbone interact. energy: -0.324 local terms energy: -390.107381 where: bonds (distance) C4'-P energy: -66.797 bonds (distance) P-C4' energy: -75.664 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -122.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1975.286805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.286805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.286805 (E_RNA) where: Base-Base interactions energy: -1414.073 where: short stacking energy: -631.944 Base-Backbone interact. energy: -1.493 local terms energy: -559.720773 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -99.305 flat angles C4'-P-C4' energy: -113.038 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -168.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1890.755080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.755080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.755080 (E_RNA) where: Base-Base interactions energy: -1361.493 where: short stacking energy: -621.332 Base-Backbone interact. energy: -1.058 local terms energy: -528.204703 where: bonds (distance) C4'-P energy: -92.126 bonds (distance) P-C4' energy: -85.903 flat angles C4'-P-C4' energy: -107.240 flat angles P-C4'-P energy: -75.470 tors. eta vs tors. theta energy: -167.466 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: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1819.810459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.810459 (E_RNA) where: Base-Base interactions energy: -1314.816 where: short stacking energy: -592.080 Base-Backbone interact. energy: -1.047 local terms energy: -503.947370 where: bonds (distance) C4'-P energy: -87.480 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -109.052 flat angles P-C4'-P energy: -72.956 tors. eta vs tors. theta energy: -154.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1791.732985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.732985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.732985 (E_RNA) where: Base-Base interactions energy: -1282.430 where: short stacking energy: -581.261 Base-Backbone interact. energy: 0.158 local terms energy: -509.460863 where: bonds (distance) C4'-P energy: -95.122 bonds (distance) P-C4' energy: -86.033 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -155.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1735.202245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.202245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.202245 (E_RNA) where: Base-Base interactions energy: -1244.347 where: short stacking energy: -555.679 Base-Backbone interact. energy: -1.347 local terms energy: -489.507644 where: bonds (distance) C4'-P energy: -86.819 bonds (distance) P-C4' energy: -93.800 flat angles C4'-P-C4' energy: -93.727 flat angles P-C4'-P energy: -60.555 tors. eta vs tors. theta energy: -154.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1700.722569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.722569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.722569 (E_RNA) where: Base-Base interactions energy: -1211.800 where: short stacking energy: -549.955 Base-Backbone interact. energy: -1.719 local terms energy: -487.203102 where: bonds (distance) C4'-P energy: -92.887 bonds (distance) P-C4' energy: -84.399 flat angles C4'-P-C4' energy: -99.639 flat angles P-C4'-P energy: -63.888 tors. eta vs tors. theta energy: -146.390 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: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1615.646051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.646051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.646051 (E_RNA) where: Base-Base interactions energy: -1157.079 where: short stacking energy: -509.541 Base-Backbone interact. energy: -1.914 local terms energy: -456.653354 where: bonds (distance) C4'-P energy: -68.317 bonds (distance) P-C4' energy: -80.974 flat angles C4'-P-C4' energy: -99.413 flat angles P-C4'-P energy: -63.792 tors. eta vs tors. theta energy: -144.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1590.240982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.240982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.240982 (E_RNA) where: Base-Base interactions energy: -1123.206 where: short stacking energy: -498.043 Base-Backbone interact. energy: -0.019 local terms energy: -467.015350 where: bonds (distance) C4'-P energy: -86.014 bonds (distance) P-C4' energy: -71.302 flat angles C4'-P-C4' energy: -106.044 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -140.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1481.047663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.047663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.047663 (E_RNA) where: Base-Base interactions energy: -1043.520 where: short stacking energy: -498.290 Base-Backbone interact. energy: -0.160 local terms energy: -437.367263 where: bonds (distance) C4'-P energy: -74.991 bonds (distance) P-C4' energy: -75.407 flat angles C4'-P-C4' energy: -85.123 flat angles P-C4'-P energy: -64.956 tors. eta vs tors. theta energy: -136.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1345.871996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.871996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.871996 (E_RNA) where: Base-Base interactions energy: -956.381 where: short stacking energy: -436.989 Base-Backbone interact. energy: 2.241 local terms energy: -391.731345 where: bonds (distance) C4'-P energy: -57.387 bonds (distance) P-C4' energy: -81.374 flat angles C4'-P-C4' energy: -90.779 flat angles P-C4'-P energy: -56.060 tors. eta vs tors. theta energy: -106.132 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: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1982.486210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.486210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.486210 (E_RNA) where: Base-Base interactions energy: -1423.375 where: short stacking energy: -644.080 Base-Backbone interact. energy: -2.533 local terms energy: -556.578098 where: bonds (distance) C4'-P energy: -98.265 bonds (distance) P-C4' energy: -99.957 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -77.975 tors. eta vs tors. theta energy: -172.332 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: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1922.609011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.609011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.609011 (E_RNA) where: Base-Base interactions energy: -1395.586 where: short stacking energy: -632.391 Base-Backbone interact. energy: -0.368 local terms energy: -526.655228 where: bonds (distance) C4'-P energy: -91.004 bonds (distance) P-C4' energy: -88.332 flat angles C4'-P-C4' energy: -112.839 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: -163.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1820.037634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.037634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.037634 (E_RNA) where: Base-Base interactions energy: -1312.582 where: short stacking energy: -594.294 Base-Backbone interact. energy: 4.015 local terms energy: -511.470036 where: bonds (distance) C4'-P energy: -84.303 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -106.313 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -156.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1807.104963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.104963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.104963 (E_RNA) where: Base-Base interactions energy: -1318.889 where: short stacking energy: -577.425 Base-Backbone interact. energy: -0.379 local terms energy: -487.837164 where: bonds (distance) C4'-P energy: -83.768 bonds (distance) P-C4' energy: -83.718 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -68.737 tors. eta vs tors. theta energy: -149.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1746.140449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.140449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.140449 (E_RNA) where: Base-Base interactions energy: -1273.189 where: short stacking energy: -558.829 Base-Backbone interact. energy: -3.075 local terms energy: -469.876568 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -77.967 flat angles C4'-P-C4' energy: -101.590 flat angles P-C4'-P energy: -54.580 tors. eta vs tors. theta energy: -149.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1689.491306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.491306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.491306 (E_RNA) where: Base-Base interactions energy: -1209.849 where: short stacking energy: -545.893 Base-Backbone interact. energy: -0.906 local terms energy: -478.736349 where: bonds (distance) C4'-P energy: -83.874 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -99.127 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -142.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1656.552677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.552677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.552677 (E_RNA) where: Base-Base interactions energy: -1176.596 where: short stacking energy: -541.348 Base-Backbone interact. energy: -1.909 local terms energy: -478.047598 where: bonds (distance) C4'-P energy: -89.483 bonds (distance) P-C4' energy: -86.498 flat angles C4'-P-C4' energy: -99.259 flat angles P-C4'-P energy: -57.086 tors. eta vs tors. theta energy: -145.722 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: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1553.409205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.409205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.409205 (E_RNA) where: Base-Base interactions energy: -1079.311 where: short stacking energy: -511.890 Base-Backbone interact. energy: -0.588 local terms energy: -473.510833 where: bonds (distance) C4'-P energy: -78.533 bonds (distance) P-C4' energy: -88.469 flat angles C4'-P-C4' energy: -98.533 flat angles P-C4'-P energy: -73.362 tors. eta vs tors. theta energy: -134.614 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: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1463.627752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.627752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.627752 (E_RNA) where: Base-Base interactions energy: -1054.544 where: short stacking energy: -493.454 Base-Backbone interact. energy: -1.165 local terms energy: -407.918343 where: bonds (distance) C4'-P energy: -70.060 bonds (distance) P-C4' energy: -67.275 flat angles C4'-P-C4' energy: -90.069 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -121.571 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: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1289.666836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.666836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.666836 (E_RNA) where: Base-Base interactions energy: -870.639 where: short stacking energy: -397.800 Base-Backbone interact. energy: -0.752 local terms energy: -418.275943 where: bonds (distance) C4'-P energy: -77.652 bonds (distance) P-C4' energy: -85.625 flat angles C4'-P-C4' energy: -92.272 flat angles P-C4'-P energy: -53.449 tors. eta vs tors. theta energy: -109.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1959.243779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.243779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.243779 (E_RNA) where: Base-Base interactions energy: -1423.300 where: short stacking energy: -649.116 Base-Backbone interact. energy: -1.225 local terms energy: -534.718390 where: bonds (distance) C4'-P energy: -95.275 bonds (distance) P-C4' energy: -80.450 flat angles C4'-P-C4' energy: -107.652 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -167.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1920.724166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.724166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.724166 (E_RNA) where: Base-Base interactions energy: -1380.347 where: short stacking energy: -621.016 Base-Backbone interact. energy: -2.646 local terms energy: -537.730795 where: bonds (distance) C4'-P energy: -97.352 bonds (distance) P-C4' energy: -92.532 flat angles C4'-P-C4' energy: -105.937 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -164.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1840.481670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.481670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.481670 (E_RNA) where: Base-Base interactions energy: -1332.572 where: short stacking energy: -569.058 Base-Backbone interact. energy: 1.721 local terms energy: -509.630129 where: bonds (distance) C4'-P energy: -83.822 bonds (distance) P-C4' energy: -96.784 flat angles C4'-P-C4' energy: -106.984 flat angles P-C4'-P energy: -70.556 tors. eta vs tors. theta energy: -151.484 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: 406 Temperature: 1.050000 Total energy: -1777.417291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.417291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.417291 (E_RNA) where: Base-Base interactions energy: -1282.609 where: short stacking energy: -596.656 Base-Backbone interact. energy: -2.329 local terms energy: -492.479101 where: bonds (distance) C4'-P energy: -75.869 bonds (distance) P-C4' energy: -75.323 flat angles C4'-P-C4' energy: -113.202 flat angles P-C4'-P energy: -73.083 tors. eta vs tors. theta energy: -155.002 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: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1742.975746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.975746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.975746 (E_RNA) where: Base-Base interactions energy: -1255.510 where: short stacking energy: -550.882 Base-Backbone interact. energy: -1.130 local terms energy: -486.336097 where: bonds (distance) C4'-P energy: -78.682 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -69.993 tors. eta vs tors. theta energy: -144.987 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: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1694.825662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.825662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.825662 (E_RNA) where: Base-Base interactions energy: -1220.313 where: short stacking energy: -550.717 Base-Backbone interact. energy: -2.033 local terms energy: -472.479026 where: bonds (distance) C4'-P energy: -83.977 bonds (distance) P-C4' energy: -69.851 flat angles C4'-P-C4' energy: -101.651 flat angles P-C4'-P energy: -75.837 tors. eta vs tors. theta energy: -141.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1641.824074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.824074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.824074 (E_RNA) where: Base-Base interactions energy: -1171.413 where: short stacking energy: -529.785 Base-Backbone interact. energy: 0.584 local terms energy: -470.994682 where: bonds (distance) C4'-P energy: -82.697 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -96.828 flat angles P-C4'-P energy: -66.858 tors. eta vs tors. theta energy: -146.509 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: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1597.449062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.449062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.449062 (E_RNA) where: Base-Base interactions energy: -1166.906 where: short stacking energy: -502.251 Base-Backbone interact. energy: -1.411 local terms energy: -429.132018 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -79.299 flat angles C4'-P-C4' energy: -97.151 flat angles P-C4'-P energy: -53.979 tors. eta vs tors. theta energy: -134.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1532.145383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.145383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.145383 (E_RNA) where: Base-Base interactions energy: -1084.767 where: short stacking energy: -490.107 Base-Backbone interact. energy: -1.779 local terms energy: -445.599029 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -88.141 flat angles C4'-P-C4' energy: -89.700 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: -126.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1263.643339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.643339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.643339 (E_RNA) where: Base-Base interactions energy: -878.403 where: short stacking energy: -395.647 Base-Backbone interact. energy: -1.298 local terms energy: -383.942009 where: bonds (distance) C4'-P energy: -78.220 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -81.235 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: -92.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1956.528564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.528564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.528564 (E_RNA) where: Base-Base interactions energy: -1396.896 where: short stacking energy: -620.779 Base-Backbone interact. energy: -0.743 local terms energy: -558.888801 where: bonds (distance) C4'-P energy: -95.112 bonds (distance) P-C4' energy: -93.434 flat angles C4'-P-C4' energy: -119.150 flat angles P-C4'-P energy: -77.146 tors. eta vs tors. theta energy: -174.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1912.280788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.280788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.280788 (E_RNA) where: Base-Base interactions energy: -1362.438 where: short stacking energy: -605.840 Base-Backbone interact. energy: -1.550 local terms energy: -548.292067 where: bonds (distance) C4'-P energy: -96.289 bonds (distance) P-C4' energy: -91.331 flat angles C4'-P-C4' energy: -117.566 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -168.906 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: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1799.772651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.772651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.772651 (E_RNA) where: Base-Base interactions energy: -1294.291 where: short stacking energy: -577.982 Base-Backbone interact. energy: -1.058 local terms energy: -504.423454 where: bonds (distance) C4'-P energy: -93.847 bonds (distance) P-C4' energy: -75.134 flat angles C4'-P-C4' energy: -108.996 flat angles P-C4'-P energy: -73.854 tors. eta vs tors. theta energy: -152.591 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: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1779.805520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.805520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.805520 (E_RNA) where: Base-Base interactions energy: -1259.411 where: short stacking energy: -531.544 Base-Backbone interact. energy: -0.538 local terms energy: -519.856392 where: bonds (distance) C4'-P energy: -90.015 bonds (distance) P-C4' energy: -97.050 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -80.020 tors. eta vs tors. theta energy: -147.632 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: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1740.419991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.419991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.419991 (E_RNA) where: Base-Base interactions energy: -1260.133 where: short stacking energy: -559.756 Base-Backbone interact. energy: -1.857 local terms energy: -478.429188 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -80.972 flat angles C4'-P-C4' energy: -101.841 flat angles P-C4'-P energy: -63.867 tors. eta vs tors. theta energy: -145.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1701.443723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.443723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.443723 (E_RNA) where: Base-Base interactions energy: -1251.246 where: short stacking energy: -551.325 Base-Backbone interact. energy: -2.038 local terms energy: -448.159505 where: bonds (distance) C4'-P energy: -70.043 bonds (distance) P-C4' energy: -65.833 flat angles C4'-P-C4' energy: -101.273 flat angles P-C4'-P energy: -59.651 tors. eta vs tors. theta energy: -151.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1598.916645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.916645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.916645 (E_RNA) where: Base-Base interactions energy: -1156.790 where: short stacking energy: -533.045 Base-Backbone interact. energy: -2.201 local terms energy: -439.926432 where: bonds (distance) C4'-P energy: -71.560 bonds (distance) P-C4' energy: -64.108 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -152.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1593.500573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.500573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.500573 (E_RNA) where: Base-Base interactions energy: -1122.260 where: short stacking energy: -509.588 Base-Backbone interact. energy: -3.569 local terms energy: -467.671720 where: bonds (distance) C4'-P energy: -88.808 bonds (distance) P-C4' energy: -76.600 flat angles C4'-P-C4' energy: -96.026 flat angles P-C4'-P energy: -64.090 tors. eta vs tors. theta energy: -142.147 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: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1529.236231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.236231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.236231 (E_RNA) where: Base-Base interactions energy: -1082.305 where: short stacking energy: -527.674 Base-Backbone interact. energy: -0.361 local terms energy: -446.569924 where: bonds (distance) C4'-P energy: -71.432 bonds (distance) P-C4' energy: -73.798 flat angles C4'-P-C4' energy: -100.808 flat angles P-C4'-P energy: -64.915 tors. eta vs tors. theta energy: -135.617 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: 407 Temperature: 1.350000 Total energy: -1276.533710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.533710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.533710 (E_RNA) where: Base-Base interactions energy: -902.898 where: short stacking energy: -409.001 Base-Backbone interact. energy: -1.569 local terms energy: -372.066622 where: bonds (distance) C4'-P energy: -67.527 bonds (distance) P-C4' energy: -77.704 flat angles C4'-P-C4' energy: -80.418 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -104.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1976.848558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.848558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.848558 (E_RNA) where: Base-Base interactions energy: -1430.681 where: short stacking energy: -659.813 Base-Backbone interact. energy: -1.745 local terms energy: -544.422099 where: bonds (distance) C4'-P energy: -82.966 bonds (distance) P-C4' energy: -89.817 flat angles C4'-P-C4' energy: -120.274 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -172.619 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: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1893.520593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.520593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.520593 (E_RNA) where: Base-Base interactions energy: -1387.079 where: short stacking energy: -639.778 Base-Backbone interact. energy: -1.644 local terms energy: -504.798139 where: bonds (distance) C4'-P energy: -82.230 bonds (distance) P-C4' energy: -83.827 flat angles C4'-P-C4' energy: -104.430 flat angles P-C4'-P energy: -74.024 tors. eta vs tors. theta energy: -160.287 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: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1839.329065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.329065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.329065 (E_RNA) where: Base-Base interactions energy: -1325.580 where: short stacking energy: -582.050 Base-Backbone interact. energy: -2.459 local terms energy: -511.289514 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -83.654 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -77.708 tors. eta vs tors. theta energy: -154.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1776.269682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.269682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.269682 (E_RNA) where: Base-Base interactions energy: -1298.686 where: short stacking energy: -565.891 Base-Backbone interact. energy: -1.435 local terms energy: -476.148341 where: bonds (distance) C4'-P energy: -81.220 bonds (distance) P-C4' energy: -81.054 flat angles C4'-P-C4' energy: -99.046 flat angles P-C4'-P energy: -65.965 tors. eta vs tors. theta energy: -148.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1754.801507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.801507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.801507 (E_RNA) where: Base-Base interactions energy: -1258.846 where: short stacking energy: -583.133 Base-Backbone interact. energy: -1.823 local terms energy: -494.132244 where: bonds (distance) C4'-P energy: -96.430 bonds (distance) P-C4' energy: -88.180 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -152.156 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: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1699.857987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.857987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.857987 (E_RNA) where: Base-Base interactions energy: -1253.488 where: short stacking energy: -564.857 Base-Backbone interact. energy: -0.439 local terms energy: -445.930927 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -106.419 flat angles P-C4'-P energy: -58.627 tors. eta vs tors. theta energy: -143.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1616.016356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.016356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.016356 (E_RNA) where: Base-Base interactions energy: -1198.320 where: short stacking energy: -552.016 Base-Backbone interact. energy: -3.117 local terms energy: -414.578652 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -69.883 flat angles C4'-P-C4' energy: -82.950 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -141.460 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: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1575.305812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.305812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.305812 (E_RNA) where: Base-Base interactions energy: -1116.715 where: short stacking energy: -485.132 Base-Backbone interact. energy: -4.406 local terms energy: -454.184181 where: bonds (distance) C4'-P energy: -83.753 bonds (distance) P-C4' energy: -78.435 flat angles C4'-P-C4' energy: -96.830 flat angles P-C4'-P energy: -53.396 tors. eta vs tors. theta energy: -141.770 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: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1543.885511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.885511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.885511 (E_RNA) where: Base-Base interactions energy: -1089.923 where: short stacking energy: -528.396 Base-Backbone interact. energy: -2.044 local terms energy: -451.917641 where: bonds (distance) C4'-P energy: -72.927 bonds (distance) P-C4' energy: -72.961 flat angles C4'-P-C4' energy: -101.015 flat angles P-C4'-P energy: -71.082 tors. eta vs tors. theta energy: -133.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1298.824106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.824106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.824106 (E_RNA) where: Base-Base interactions energy: -928.539 where: short stacking energy: -428.640 Base-Backbone interact. energy: -0.944 local terms energy: -369.340182 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -78.295 flat angles P-C4'-P energy: -57.302 tors. eta vs tors. theta energy: -98.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1966.586287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.586287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.586287 (E_RNA) where: Base-Base interactions energy: -1430.170 where: short stacking energy: -656.304 Base-Backbone interact. energy: -1.526 local terms energy: -534.889624 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -86.345 flat angles C4'-P-C4' energy: -108.964 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -169.902 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: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1844.335590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.335590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.335590 (E_RNA) where: Base-Base interactions energy: -1314.003 where: short stacking energy: -591.156 Base-Backbone interact. energy: -2.131 local terms energy: -528.201929 where: bonds (distance) C4'-P energy: -89.811 bonds (distance) P-C4' energy: -86.984 flat angles C4'-P-C4' energy: -115.721 flat angles P-C4'-P energy: -73.972 tors. eta vs tors. theta energy: -161.714 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: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1891.513487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.513487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.513487 (E_RNA) where: Base-Base interactions energy: -1355.342 where: short stacking energy: -602.011 Base-Backbone interact. energy: -1.046 local terms energy: -535.125497 where: bonds (distance) C4'-P energy: -84.508 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -78.530 tors. eta vs tors. theta energy: -166.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1751.826732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.826732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.826732 (E_RNA) where: Base-Base interactions energy: -1280.646 where: short stacking energy: -600.926 Base-Backbone interact. energy: 0.806 local terms energy: -471.987487 where: bonds (distance) C4'-P energy: -79.798 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -95.691 flat angles P-C4'-P energy: -66.685 tors. eta vs tors. theta energy: -153.225 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: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1741.192615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.192615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.192615 (E_RNA) where: Base-Base interactions energy: -1260.803 where: short stacking energy: -561.983 Base-Backbone interact. energy: -1.567 local terms energy: -478.822240 where: bonds (distance) C4'-P energy: -88.291 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -108.150 flat angles P-C4'-P energy: -71.947 tors. eta vs tors. theta energy: -143.251 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: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1720.709869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.709869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.709869 (E_RNA) where: Base-Base interactions energy: -1244.952 where: short stacking energy: -576.669 Base-Backbone interact. energy: 0.380 local terms energy: -476.137561 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -86.045 flat angles C4'-P-C4' energy: -104.509 flat angles P-C4'-P energy: -58.597 tors. eta vs tors. theta energy: -147.879 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: 8 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1597.038890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.038890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.038890 (E_RNA) where: Base-Base interactions energy: -1137.631 where: short stacking energy: -503.909 Base-Backbone interact. energy: -3.027 local terms energy: -456.380828 where: bonds (distance) C4'-P energy: -77.338 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -99.259 flat angles P-C4'-P energy: -69.089 tors. eta vs tors. theta energy: -137.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1576.918329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.918329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.918329 (E_RNA) where: Base-Base interactions energy: -1158.643 where: short stacking energy: -527.748 Base-Backbone interact. energy: -1.279 local terms energy: -416.995685 where: bonds (distance) C4'-P energy: -64.343 bonds (distance) P-C4' energy: -56.183 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -50.752 tors. eta vs tors. theta energy: -149.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1495.846967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.846967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.846967 (E_RNA) where: Base-Base interactions energy: -1058.116 where: short stacking energy: -489.426 Base-Backbone interact. energy: -1.166 local terms energy: -436.565022 where: bonds (distance) C4'-P energy: -70.615 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -104.723 flat angles P-C4'-P energy: -66.132 tors. eta vs tors. theta energy: -130.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1376.044173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.044173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.044173 (E_RNA) where: Base-Base interactions energy: -978.275 where: short stacking energy: -440.467 Base-Backbone interact. energy: -2.311 local terms energy: -395.458256 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -87.079 flat angles P-C4'-P energy: -55.545 tors. eta vs tors. theta energy: -111.296 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: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1962.790391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.790391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.790391 (E_RNA) where: Base-Base interactions energy: -1412.165 where: short stacking energy: -630.265 Base-Backbone interact. energy: -0.288 local terms energy: -550.336890 where: bonds (distance) C4'-P energy: -99.703 bonds (distance) P-C4' energy: -85.440 flat angles C4'-P-C4' energy: -113.488 flat angles P-C4'-P energy: -77.790 tors. eta vs tors. theta energy: -173.917 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: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1856.630501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.630501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.630501 (E_RNA) where: Base-Base interactions energy: -1351.766 where: short stacking energy: -600.807 Base-Backbone interact. energy: -2.117 local terms energy: -502.747690 where: bonds (distance) C4'-P energy: -77.717 bonds (distance) P-C4' energy: -87.461 flat angles C4'-P-C4' energy: -110.757 flat angles P-C4'-P energy: -69.047 tors. eta vs tors. theta energy: -157.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1913.495338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.495338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.495338 (E_RNA) where: Base-Base interactions energy: -1376.701 where: short stacking energy: -618.715 Base-Backbone interact. energy: -2.842 local terms energy: -533.951436 where: bonds (distance) C4'-P energy: -93.572 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -106.766 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: -172.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1779.340224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.340224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.340224 (E_RNA) where: Base-Base interactions energy: -1288.894 where: short stacking energy: -584.676 Base-Backbone interact. energy: -4.242 local terms energy: -486.203725 where: bonds (distance) C4'-P energy: -76.585 bonds (distance) P-C4' energy: -88.733 flat angles C4'-P-C4' energy: -110.636 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: -151.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1747.237824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.237824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.237824 (E_RNA) where: Base-Base interactions energy: -1280.950 where: short stacking energy: -540.711 Base-Backbone interact. energy: -1.700 local terms energy: -464.587127 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -91.783 flat angles C4'-P-C4' energy: -92.186 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -143.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1710.668970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.668970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.668970 (E_RNA) where: Base-Base interactions energy: -1224.004 where: short stacking energy: -540.796 Base-Backbone interact. energy: 0.402 local terms energy: -487.066816 where: bonds (distance) C4'-P energy: -78.302 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -68.666 tors. eta vs tors. theta energy: -146.060 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: 7, replica: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1628.104575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.104575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.104575 (E_RNA) where: Base-Base interactions energy: -1194.586 where: short stacking energy: -548.481 Base-Backbone interact. energy: -2.497 local terms energy: -431.021460 where: bonds (distance) C4'-P energy: -57.297 bonds (distance) P-C4' energy: -96.206 flat angles C4'-P-C4' energy: -81.689 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -145.853 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: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1568.985631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.985631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.985631 (E_RNA) where: Base-Base interactions energy: -1131.819 where: short stacking energy: -511.920 Base-Backbone interact. energy: -1.090 local terms energy: -436.076771 where: bonds (distance) C4'-P energy: -65.728 bonds (distance) P-C4' energy: -85.792 flat angles C4'-P-C4' energy: -87.373 flat angles P-C4'-P energy: -60.931 tors. eta vs tors. theta energy: -136.252 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: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1504.754736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.754736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.754736 (E_RNA) where: Base-Base interactions energy: -1056.638 where: short stacking energy: -505.199 Base-Backbone interact. energy: -1.230 local terms energy: -446.886319 where: bonds (distance) C4'-P energy: -84.164 bonds (distance) P-C4' energy: -84.087 flat angles C4'-P-C4' energy: -91.728 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -138.468 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: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1469.670114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.670114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.670114 (E_RNA) where: Base-Base interactions energy: -1038.584 where: short stacking energy: -485.447 Base-Backbone interact. energy: -1.260 local terms energy: -429.826772 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -80.769 flat angles C4'-P-C4' energy: -94.216 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: -132.618 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: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1984.079102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.079102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.079102 (E_RNA) where: Base-Base interactions energy: -1429.333 where: short stacking energy: -651.419 Base-Backbone interact. energy: -4.629 local terms energy: -550.116532 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -91.458 flat angles C4'-P-C4' energy: -110.016 flat angles P-C4'-P energy: -84.394 tors. eta vs tors. theta energy: -169.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1917.782591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.782591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.782591 (E_RNA) where: Base-Base interactions energy: -1394.439 where: short stacking energy: -627.756 Base-Backbone interact. energy: -0.756 local terms energy: -522.587922 where: bonds (distance) C4'-P energy: -80.365 bonds (distance) P-C4' energy: -87.313 flat angles C4'-P-C4' energy: -109.996 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -170.752 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: 411 Temperature: 1.000000 Total energy: -1795.071079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.071079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.071079 (E_RNA) where: Base-Base interactions energy: -1297.440 where: short stacking energy: -576.142 Base-Backbone interact. energy: -1.691 local terms energy: -495.940887 where: bonds (distance) C4'-P energy: -85.964 bonds (distance) P-C4' energy: -78.717 flat angles C4'-P-C4' energy: -107.555 flat angles P-C4'-P energy: -69.261 tors. eta vs tors. theta energy: -154.444 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: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1777.307358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.307358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.307358 (E_RNA) where: Base-Base interactions energy: -1281.359 where: short stacking energy: -568.001 Base-Backbone interact. energy: 0.152 local terms energy: -496.100853 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -79.851 flat angles C4'-P-C4' energy: -108.443 flat angles P-C4'-P energy: -67.975 tors. eta vs tors. theta energy: -149.175 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: 411 Temperature: 1.100000 Total energy: -1720.761077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.761077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.761077 (E_RNA) where: Base-Base interactions energy: -1240.332 where: short stacking energy: -546.241 Base-Backbone interact. energy: -2.400 local terms energy: -478.028920 where: bonds (distance) C4'-P energy: -72.412 bonds (distance) P-C4' energy: -91.834 flat angles C4'-P-C4' energy: -98.655 flat angles P-C4'-P energy: -70.273 tors. eta vs tors. theta energy: -144.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1720.582054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.582054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.582054 (E_RNA) where: Base-Base interactions energy: -1226.138 where: short stacking energy: -552.276 Base-Backbone interact. energy: 0.682 local terms energy: -495.126043 where: bonds (distance) C4'-P energy: -94.020 bonds (distance) P-C4' energy: -91.204 flat angles C4'-P-C4' energy: -91.289 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -151.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1631.968095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.968095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.968095 (E_RNA) where: Base-Base interactions energy: -1160.661 where: short stacking energy: -522.453 Base-Backbone interact. energy: -1.579 local terms energy: -469.728457 where: bonds (distance) C4'-P energy: -84.207 bonds (distance) P-C4' energy: -89.747 flat angles C4'-P-C4' energy: -93.879 flat angles P-C4'-P energy: -70.032 tors. eta vs tors. theta energy: -131.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1570.508910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.508910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.508910 (E_RNA) where: Base-Base interactions energy: -1137.702 where: short stacking energy: -500.489 Base-Backbone interact. energy: -1.964 local terms energy: -430.842846 where: bonds (distance) C4'-P energy: -86.204 bonds (distance) P-C4' energy: -56.908 flat angles C4'-P-C4' energy: -95.733 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -147.522 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: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1510.467628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.467628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.467628 (E_RNA) where: Base-Base interactions energy: -1069.230 where: short stacking energy: -500.414 Base-Backbone interact. energy: 0.172 local terms energy: -441.409799 where: bonds (distance) C4'-P energy: -84.845 bonds (distance) P-C4' energy: -77.228 flat angles C4'-P-C4' energy: -91.240 flat angles P-C4'-P energy: -56.956 tors. eta vs tors. theta energy: -131.141 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: 411 Temperature: 1.350000 Total energy: -1426.905594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.905594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.905594 (E_RNA) where: Base-Base interactions energy: -1004.277 where: short stacking energy: -468.817 Base-Backbone interact. energy: -0.781 local terms energy: -421.847386 where: bonds (distance) C4'-P energy: -84.176 bonds (distance) P-C4' energy: -73.108 flat angles C4'-P-C4' energy: -83.817 flat angles P-C4'-P energy: -58.532 tors. eta vs tors. theta energy: -122.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1968.968780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.968780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.968780 (E_RNA) where: Base-Base interactions energy: -1413.929 where: short stacking energy: -648.589 Base-Backbone interact. energy: -0.667 local terms energy: -554.372070 where: bonds (distance) C4'-P energy: -84.417 bonds (distance) P-C4' energy: -92.185 flat angles C4'-P-C4' energy: -118.128 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -172.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1923.910254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.910254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.910254 (E_RNA) where: Base-Base interactions energy: -1393.796 where: short stacking energy: -635.847 Base-Backbone interact. energy: 1.161 local terms energy: -531.275476 where: bonds (distance) C4'-P energy: -86.893 bonds (distance) P-C4' energy: -87.456 flat angles C4'-P-C4' energy: -112.705 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -172.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1820.886778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.886778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.886778 (E_RNA) where: Base-Base interactions energy: -1308.185 where: short stacking energy: -561.555 Base-Backbone interact. energy: -2.612 local terms energy: -510.088978 where: bonds (distance) C4'-P energy: -86.738 bonds (distance) P-C4' energy: -93.122 flat angles C4'-P-C4' energy: -101.863 flat angles P-C4'-P energy: -79.109 tors. eta vs tors. theta energy: -149.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1784.645512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.645512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.645512 (E_RNA) where: Base-Base interactions energy: -1288.158 where: short stacking energy: -580.305 Base-Backbone interact. energy: -0.611 local terms energy: -495.876484 where: bonds (distance) C4'-P energy: -74.061 bonds (distance) P-C4' energy: -88.572 flat angles C4'-P-C4' energy: -109.208 flat angles P-C4'-P energy: -72.228 tors. eta vs tors. theta energy: -151.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1736.333728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.333728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.333728 (E_RNA) where: Base-Base interactions energy: -1255.122 where: short stacking energy: -560.616 Base-Backbone interact. energy: -0.878 local terms energy: -480.333527 where: bonds (distance) C4'-P energy: -84.150 bonds (distance) P-C4' energy: -72.597 flat angles C4'-P-C4' energy: -110.101 flat angles P-C4'-P energy: -62.738 tors. eta vs tors. theta energy: -150.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1686.256670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.256670 (E_RNA) where: Base-Base interactions energy: -1242.373 where: short stacking energy: -586.848 Base-Backbone interact. energy: -0.355 local terms energy: -443.528168 where: bonds (distance) C4'-P energy: -80.280 bonds (distance) P-C4' energy: -65.894 flat angles C4'-P-C4' energy: -95.855 flat angles P-C4'-P energy: -53.406 tors. eta vs tors. theta energy: -148.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1613.940740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.940740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.940740 (E_RNA) where: Base-Base interactions energy: -1154.203 where: short stacking energy: -535.583 Base-Backbone interact. energy: -1.755 local terms energy: -457.983429 where: bonds (distance) C4'-P energy: -93.509 bonds (distance) P-C4' energy: -72.367 flat angles C4'-P-C4' energy: -95.403 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -146.048 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: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1526.692858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.692858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.692858 (E_RNA) where: Base-Base interactions energy: -1114.087 where: short stacking energy: -510.621 Base-Backbone interact. energy: -1.935 local terms energy: -410.670326 where: bonds (distance) C4'-P energy: -65.718 bonds (distance) P-C4' energy: -80.754 flat angles C4'-P-C4' energy: -83.271 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -131.814 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: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1484.980148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.980148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.980148 (E_RNA) where: Base-Base interactions energy: -1050.612 where: short stacking energy: -493.887 Base-Backbone interact. energy: -2.490 local terms energy: -431.878962 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -105.184 flat angles P-C4'-P energy: -66.392 tors. eta vs tors. theta energy: -136.890 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: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1462.518107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.518107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.518107 (E_RNA) where: Base-Base interactions energy: -1021.524 where: short stacking energy: -463.129 Base-Backbone interact. energy: -1.816 local terms energy: -439.178093 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -97.439 flat angles P-C4'-P energy: -65.901 tors. eta vs tors. theta energy: -121.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1960.667173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.667173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.667173 (E_RNA) where: Base-Base interactions energy: -1408.865 where: short stacking energy: -633.584 Base-Backbone interact. energy: -1.890 local terms energy: -549.912558 where: bonds (distance) C4'-P energy: -95.422 bonds (distance) P-C4' energy: -92.962 flat angles C4'-P-C4' energy: -114.281 flat angles P-C4'-P energy: -70.944 tors. eta vs tors. theta energy: -176.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1887.622106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.622106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.622106 (E_RNA) where: Base-Base interactions energy: -1362.829 where: short stacking energy: -609.222 Base-Backbone interact. energy: -1.009 local terms energy: -523.783521 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -90.484 flat angles C4'-P-C4' energy: -108.514 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -165.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1816.032889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.032889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.032889 (E_RNA) where: Base-Base interactions energy: -1308.845 where: short stacking energy: -571.062 Base-Backbone interact. energy: -2.569 local terms energy: -504.618928 where: bonds (distance) C4'-P energy: -85.661 bonds (distance) P-C4' energy: -81.244 flat angles C4'-P-C4' energy: -112.402 flat angles P-C4'-P energy: -74.738 tors. eta vs tors. theta energy: -150.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1781.623058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.623058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.623058 (E_RNA) where: Base-Base interactions energy: -1269.402 where: short stacking energy: -599.649 Base-Backbone interact. energy: -1.994 local terms energy: -510.226953 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -99.507 flat angles C4'-P-C4' energy: -108.773 flat angles P-C4'-P energy: -71.455 tors. eta vs tors. theta energy: -152.768 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: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1770.680212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.680212 (E_RNA) where: Base-Base interactions energy: -1282.196 where: short stacking energy: -584.981 Base-Backbone interact. energy: -0.303 local terms energy: -488.180911 where: bonds (distance) C4'-P energy: -77.394 bonds (distance) P-C4' energy: -88.053 flat angles C4'-P-C4' energy: -104.376 flat angles P-C4'-P energy: -66.864 tors. eta vs tors. theta energy: -151.494 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: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1692.904664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.904664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.904664 (E_RNA) where: Base-Base interactions energy: -1220.911 where: short stacking energy: -550.960 Base-Backbone interact. energy: -2.201 local terms energy: -469.792555 where: bonds (distance) C4'-P energy: -72.171 bonds (distance) P-C4' energy: -94.840 flat angles C4'-P-C4' energy: -106.178 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -146.987 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: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1599.335687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.335687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.335687 (E_RNA) where: Base-Base interactions energy: -1143.324 where: short stacking energy: -522.763 Base-Backbone interact. energy: -1.369 local terms energy: -454.642768 where: bonds (distance) C4'-P energy: -76.734 bonds (distance) P-C4' energy: -75.772 flat angles C4'-P-C4' energy: -94.622 flat angles P-C4'-P energy: -73.146 tors. eta vs tors. theta energy: -134.368 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: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1541.347608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.347608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.347608 (E_RNA) where: Base-Base interactions energy: -1096.889 where: short stacking energy: -512.975 Base-Backbone interact. energy: -0.591 local terms energy: -443.867232 where: bonds (distance) C4'-P energy: -86.277 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -90.376 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: -132.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1516.677717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.677717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.677717 (E_RNA) where: Base-Base interactions energy: -1061.274 where: short stacking energy: -503.720 Base-Backbone interact. energy: -1.279 local terms energy: -454.124965 where: bonds (distance) C4'-P energy: -78.387 bonds (distance) P-C4' energy: -72.446 flat angles C4'-P-C4' energy: -100.750 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -140.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1396.994668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.994668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.994668 (E_RNA) where: Base-Base interactions energy: -998.003 where: short stacking energy: -462.739 Base-Backbone interact. energy: -1.399 local terms energy: -397.592695 where: bonds (distance) C4'-P energy: -71.492 bonds (distance) P-C4' energy: -45.886 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -66.468 tors. eta vs tors. theta energy: -124.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1973.584040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.584040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.584040 (E_RNA) where: Base-Base interactions energy: -1404.124 where: short stacking energy: -647.347 Base-Backbone interact. energy: -0.585 local terms energy: -568.874842 where: bonds (distance) C4'-P energy: -92.587 bonds (distance) P-C4' energy: -95.440 flat angles C4'-P-C4' energy: -119.891 flat angles P-C4'-P energy: -81.694 tors. eta vs tors. theta energy: -179.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1896.546545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.546545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.546545 (E_RNA) where: Base-Base interactions energy: -1371.120 where: short stacking energy: -607.944 Base-Backbone interact. energy: -0.866 local terms energy: -524.560965 where: bonds (distance) C4'-P energy: -92.193 bonds (distance) P-C4' energy: -93.804 flat angles C4'-P-C4' energy: -107.998 flat angles P-C4'-P energy: -76.056 tors. eta vs tors. theta energy: -154.510 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: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1828.489766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.489766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.489766 (E_RNA) where: Base-Base interactions energy: -1300.389 where: short stacking energy: -583.102 Base-Backbone interact. energy: 0.457 local terms energy: -528.558479 where: bonds (distance) C4'-P energy: -85.708 bonds (distance) P-C4' energy: -88.639 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -75.386 tors. eta vs tors. theta energy: -165.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1779.223332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.223332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.223332 (E_RNA) where: Base-Base interactions energy: -1271.469 where: short stacking energy: -593.333 Base-Backbone interact. energy: -0.845 local terms energy: -506.908985 where: bonds (distance) C4'-P energy: -87.806 bonds (distance) P-C4' energy: -90.182 flat angles C4'-P-C4' energy: -105.867 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: -152.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1739.193997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.193997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.193997 (E_RNA) where: Base-Base interactions energy: -1256.770 where: short stacking energy: -575.063 Base-Backbone interact. energy: -1.348 local terms energy: -481.076010 where: bonds (distance) C4'-P energy: -74.978 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -68.227 tors. eta vs tors. theta energy: -157.799 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: 414 Temperature: 1.150000 Total energy: -1686.675507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.675507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.675507 (E_RNA) where: Base-Base interactions energy: -1212.686 where: short stacking energy: -534.821 Base-Backbone interact. energy: 2.794 local terms energy: -476.783382 where: bonds (distance) C4'-P energy: -78.807 bonds (distance) P-C4' energy: -84.072 flat angles C4'-P-C4' energy: -103.163 flat angles P-C4'-P energy: -67.532 tors. eta vs tors. theta energy: -143.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1656.175217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.175217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.175217 (E_RNA) where: Base-Base interactions energy: -1185.390 where: short stacking energy: -540.970 Base-Backbone interact. energy: 0.388 local terms energy: -471.172603 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -92.310 flat angles C4'-P-C4' energy: -98.886 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: -151.978 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: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1537.593636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.593636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.593636 (E_RNA) where: Base-Base interactions energy: -1098.347 where: short stacking energy: -509.459 Base-Backbone interact. energy: -0.822 local terms energy: -438.424293 where: bonds (distance) C4'-P energy: -79.139 bonds (distance) P-C4' energy: -71.845 flat angles C4'-P-C4' energy: -95.393 flat angles P-C4'-P energy: -55.069 tors. eta vs tors. theta energy: -136.979 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: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1550.659141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.659141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.659141 (E_RNA) where: Base-Base interactions energy: -1097.090 where: short stacking energy: -525.826 Base-Backbone interact. energy: 0.344 local terms energy: -453.913285 where: bonds (distance) C4'-P energy: -79.260 bonds (distance) P-C4' energy: -76.603 flat angles C4'-P-C4' energy: -98.618 flat angles P-C4'-P energy: -59.146 tors. eta vs tors. theta energy: -140.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1387.226563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.226563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.226563 (E_RNA) where: Base-Base interactions energy: -978.407 where: short stacking energy: -465.920 Base-Backbone interact. energy: -2.971 local terms energy: -405.848493 where: bonds (distance) C4'-P energy: -84.150 bonds (distance) P-C4' energy: -71.013 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -52.365 tors. eta vs tors. theta energy: -119.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1975.794084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.794084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.794084 (E_RNA) where: Base-Base interactions energy: -1420.548 where: short stacking energy: -654.191 Base-Backbone interact. energy: -0.997 local terms energy: -554.248944 where: bonds (distance) C4'-P energy: -94.346 bonds (distance) P-C4' energy: -93.768 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -79.605 tors. eta vs tors. theta energy: -170.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1919.362351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.362351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.362351 (E_RNA) where: Base-Base interactions energy: -1388.258 where: short stacking energy: -644.327 Base-Backbone interact. energy: -1.059 local terms energy: -530.045592 where: bonds (distance) C4'-P energy: -83.198 bonds (distance) P-C4' energy: -92.606 flat angles C4'-P-C4' energy: -113.394 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: -169.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1826.154426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.154426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.154426 (E_RNA) where: Base-Base interactions energy: -1310.936 where: short stacking energy: -586.856 Base-Backbone interact. energy: -3.476 local terms energy: -511.742164 where: bonds (distance) C4'-P energy: -84.036 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -107.772 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -153.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1753.072404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.072404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.072404 (E_RNA) where: Base-Base interactions energy: -1247.891 where: short stacking energy: -565.537 Base-Backbone interact. energy: -0.802 local terms energy: -504.378993 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -90.269 flat angles C4'-P-C4' energy: -102.840 flat angles P-C4'-P energy: -64.912 tors. eta vs tors. theta energy: -157.879 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: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1730.081327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.081327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.081327 (E_RNA) where: Base-Base interactions energy: -1246.454 where: short stacking energy: -563.702 Base-Backbone interact. energy: -1.581 local terms energy: -482.046199 where: bonds (distance) C4'-P energy: -78.631 bonds (distance) P-C4' energy: -91.744 flat angles C4'-P-C4' energy: -99.164 flat angles P-C4'-P energy: -56.586 tors. eta vs tors. theta energy: -155.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1702.701023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.701023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.701023 (E_RNA) where: Base-Base interactions energy: -1228.739 where: short stacking energy: -552.146 Base-Backbone interact. energy: 0.923 local terms energy: -474.884831 where: bonds (distance) C4'-P energy: -94.123 bonds (distance) P-C4' energy: -74.746 flat angles C4'-P-C4' energy: -96.344 flat angles P-C4'-P energy: -61.335 tors. eta vs tors. theta energy: -148.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1635.127713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.127713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.127713 (E_RNA) where: Base-Base interactions energy: -1188.912 where: short stacking energy: -539.467 Base-Backbone interact. energy: -1.746 local terms energy: -444.470250 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -71.120 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -65.454 tors. eta vs tors. theta energy: -145.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1584.597945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.597945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.597945 (E_RNA) where: Base-Base interactions energy: -1118.565 where: short stacking energy: -508.085 Base-Backbone interact. energy: -0.707 local terms energy: -465.325990 where: bonds (distance) C4'-P energy: -83.817 bonds (distance) P-C4' energy: -88.212 flat angles C4'-P-C4' energy: -91.429 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -139.961 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: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1547.365365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.365365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.365365 (E_RNA) where: Base-Base interactions energy: -1092.478 where: short stacking energy: -506.132 Base-Backbone interact. energy: -0.490 local terms energy: -454.397112 where: bonds (distance) C4'-P energy: -67.427 bonds (distance) P-C4' energy: -92.428 flat angles C4'-P-C4' energy: -97.982 flat angles P-C4'-P energy: -53.197 tors. eta vs tors. theta energy: -143.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1437.742308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.742308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.742308 (E_RNA) where: Base-Base interactions energy: -1028.020 where: short stacking energy: -472.186 Base-Backbone interact. energy: 0.065 local terms energy: -409.786896 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -72.873 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -129.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1978.683669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.683669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.683669 (E_RNA) where: Base-Base interactions energy: -1408.686 where: short stacking energy: -630.087 Base-Backbone interact. energy: -0.310 local terms energy: -569.687298 where: bonds (distance) C4'-P energy: -94.384 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -122.018 flat angles P-C4'-P energy: -80.215 tors. eta vs tors. theta energy: -170.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1911.290475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.290475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.290475 (E_RNA) where: Base-Base interactions energy: -1371.933 where: short stacking energy: -625.912 Base-Backbone interact. energy: -1.570 local terms energy: -537.787844 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -92.483 flat angles C4'-P-C4' energy: -109.062 flat angles P-C4'-P energy: -76.761 tors. eta vs tors. theta energy: -169.677 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: 416 Temperature: 1.000000 Total energy: -1831.450912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.450912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.450912 (E_RNA) where: Base-Base interactions energy: -1300.093 where: short stacking energy: -591.105 Base-Backbone interact. energy: -1.818 local terms energy: -529.539806 where: bonds (distance) C4'-P energy: -90.570 bonds (distance) P-C4' energy: -92.251 flat angles C4'-P-C4' energy: -106.409 flat angles P-C4'-P energy: -79.365 tors. eta vs tors. theta energy: -160.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1763.038389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.038389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.038389 (E_RNA) where: Base-Base interactions energy: -1264.678 where: short stacking energy: -589.950 Base-Backbone interact. energy: -0.355 local terms energy: -498.005554 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -93.529 flat angles C4'-P-C4' energy: -100.813 flat angles P-C4'-P energy: -68.587 tors. eta vs tors. theta energy: -151.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1730.010766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.010766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.010766 (E_RNA) where: Base-Base interactions energy: -1252.293 where: short stacking energy: -576.657 Base-Backbone interact. energy: -0.086 local terms energy: -477.632030 where: bonds (distance) C4'-P energy: -76.477 bonds (distance) P-C4' energy: -93.830 flat angles C4'-P-C4' energy: -91.541 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -148.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1700.634789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.634789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.634789 (E_RNA) where: Base-Base interactions energy: -1204.921 where: short stacking energy: -554.343 Base-Backbone interact. energy: -2.314 local terms energy: -493.399320 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -86.258 flat angles C4'-P-C4' energy: -108.067 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -147.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1635.537305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.537305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.537305 (E_RNA) where: Base-Base interactions energy: -1189.207 where: short stacking energy: -537.002 Base-Backbone interact. energy: -1.130 local terms energy: -445.201018 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -59.489 flat angles C4'-P-C4' energy: -107.398 flat angles P-C4'-P energy: -62.462 tors. eta vs tors. theta energy: -148.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1546.006653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.006653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.006653 (E_RNA) where: Base-Base interactions energy: -1117.582 where: short stacking energy: -492.331 Base-Backbone interact. energy: -1.134 local terms energy: -427.290872 where: bonds (distance) C4'-P energy: -64.587 bonds (distance) P-C4' energy: -76.410 flat angles C4'-P-C4' energy: -97.805 flat angles P-C4'-P energy: -56.875 tors. eta vs tors. theta energy: -131.614 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: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1444.258563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.258563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.258563 (E_RNA) where: Base-Base interactions energy: -1011.690 where: short stacking energy: -465.915 Base-Backbone interact. energy: -1.616 local terms energy: -430.952578 where: bonds (distance) C4'-P energy: -78.108 bonds (distance) P-C4' energy: -79.095 flat angles C4'-P-C4' energy: -86.589 flat angles P-C4'-P energy: -65.103 tors. eta vs tors. theta energy: -122.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1452.222242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.222242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.222242 (E_RNA) where: Base-Base interactions energy: -1053.965 where: short stacking energy: -481.311 Base-Backbone interact. energy: -0.497 local terms energy: -397.759937 where: bonds (distance) C4'-P energy: -68.993 bonds (distance) P-C4' energy: -65.103 flat angles C4'-P-C4' energy: -81.116 flat angles P-C4'-P energy: -40.148 tors. eta vs tors. theta energy: -142.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1968.520478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.520478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.520478 (E_RNA) where: Base-Base interactions energy: -1421.166 where: short stacking energy: -644.983 Base-Backbone interact. energy: -2.858 local terms energy: -544.496793 where: bonds (distance) C4'-P energy: -88.218 bonds (distance) P-C4' energy: -83.432 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -82.332 tors. eta vs tors. theta energy: -176.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1914.133680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.133680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.133680 (E_RNA) where: Base-Base interactions energy: -1359.329 where: short stacking energy: -631.845 Base-Backbone interact. energy: -1.085 local terms energy: -553.719884 where: bonds (distance) C4'-P energy: -96.159 bonds (distance) P-C4' energy: -99.262 flat angles C4'-P-C4' energy: -114.555 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -174.656 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: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1822.371763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.371763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.371763 (E_RNA) where: Base-Base interactions energy: -1314.171 where: short stacking energy: -573.442 Base-Backbone interact. energy: -0.560 local terms energy: -507.640275 where: bonds (distance) C4'-P energy: -80.228 bonds (distance) P-C4' energy: -91.469 flat angles C4'-P-C4' energy: -107.119 flat angles P-C4'-P energy: -69.707 tors. eta vs tors. theta energy: -159.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1756.312255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.312255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.312255 (E_RNA) where: Base-Base interactions energy: -1262.609 where: short stacking energy: -562.254 Base-Backbone interact. energy: -2.904 local terms energy: -490.799013 where: bonds (distance) C4'-P energy: -75.666 bonds (distance) P-C4' energy: -86.181 flat angles C4'-P-C4' energy: -105.626 flat angles P-C4'-P energy: -73.445 tors. eta vs tors. theta energy: -149.881 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: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1735.648945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.648945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.648945 (E_RNA) where: Base-Base interactions energy: -1237.312 where: short stacking energy: -558.448 Base-Backbone interact. energy: -0.663 local terms energy: -497.674000 where: bonds (distance) C4'-P energy: -91.412 bonds (distance) P-C4' energy: -92.448 flat angles C4'-P-C4' energy: -100.214 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: -146.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1694.241896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.241896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.241896 (E_RNA) where: Base-Base interactions energy: -1238.015 where: short stacking energy: -564.209 Base-Backbone interact. energy: 2.387 local terms energy: -458.614173 where: bonds (distance) C4'-P energy: -78.204 bonds (distance) P-C4' energy: -77.020 flat angles C4'-P-C4' energy: -99.752 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -153.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1643.617105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.617105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.617105 (E_RNA) where: Base-Base interactions energy: -1171.467 where: short stacking energy: -530.562 Base-Backbone interact. energy: -4.586 local terms energy: -467.563981 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -90.847 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -155.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1548.539169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.539169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.539169 (E_RNA) where: Base-Base interactions energy: -1106.529 where: short stacking energy: -503.100 Base-Backbone interact. energy: -1.189 local terms energy: -440.821496 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -90.662 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: -134.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1428.158883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.158883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.158883 (E_RNA) where: Base-Base interactions energy: -997.885 where: short stacking energy: -445.861 Base-Backbone interact. energy: -0.180 local terms energy: -430.093808 where: bonds (distance) C4'-P energy: -73.057 bonds (distance) P-C4' energy: -74.295 flat angles C4'-P-C4' energy: -92.343 flat angles P-C4'-P energy: -66.829 tors. eta vs tors. theta energy: -123.570 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: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1541.757533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.757533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.757533 (E_RNA) where: Base-Base interactions energy: -1085.706 where: short stacking energy: -516.455 Base-Backbone interact. energy: 1.420 local terms energy: -457.471036 where: bonds (distance) C4'-P energy: -64.907 bonds (distance) P-C4' energy: -89.858 flat angles C4'-P-C4' energy: -96.829 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -141.248 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: 418 Temperature: 0.900000 Total energy: -1989.205106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.205106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.205106 (E_RNA) where: Base-Base interactions energy: -1422.273 where: short stacking energy: -645.276 Base-Backbone interact. energy: -0.831 local terms energy: -566.100569 where: bonds (distance) C4'-P energy: -100.068 bonds (distance) P-C4' energy: -93.523 flat angles C4'-P-C4' energy: -120.673 flat angles P-C4'-P energy: -83.056 tors. eta vs tors. theta energy: -168.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1910.556164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.556164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.556164 (E_RNA) where: Base-Base interactions energy: -1372.828 where: short stacking energy: -636.655 Base-Backbone interact. energy: -1.823 local terms energy: -535.904206 where: bonds (distance) C4'-P energy: -91.604 bonds (distance) P-C4' energy: -88.949 flat angles C4'-P-C4' energy: -103.844 flat angles P-C4'-P energy: -82.089 tors. eta vs tors. theta energy: -169.418 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: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1836.717263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.717263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.717263 (E_RNA) where: Base-Base interactions energy: -1329.527 where: short stacking energy: -601.190 Base-Backbone interact. energy: -0.999 local terms energy: -506.191592 where: bonds (distance) C4'-P energy: -78.764 bonds (distance) P-C4' energy: -82.116 flat angles C4'-P-C4' energy: -116.432 flat angles P-C4'-P energy: -71.100 tors. eta vs tors. theta energy: -157.781 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: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1763.041022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.041022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.041022 (E_RNA) where: Base-Base interactions energy: -1253.379 where: short stacking energy: -578.277 Base-Backbone interact. energy: -0.784 local terms energy: -508.877897 where: bonds (distance) C4'-P energy: -93.025 bonds (distance) P-C4' energy: -82.368 flat angles C4'-P-C4' energy: -106.504 flat angles P-C4'-P energy: -73.329 tors. eta vs tors. theta energy: -153.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1728.868579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.868579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.868579 (E_RNA) where: Base-Base interactions energy: -1257.358 where: short stacking energy: -588.412 Base-Backbone interact. energy: -0.767 local terms energy: -470.743096 where: bonds (distance) C4'-P energy: -71.801 bonds (distance) P-C4' energy: -70.248 flat angles C4'-P-C4' energy: -103.825 flat angles P-C4'-P energy: -70.234 tors. eta vs tors. theta energy: -154.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1685.763686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.763686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.763686 (E_RNA) where: Base-Base interactions energy: -1209.499 where: short stacking energy: -544.367 Base-Backbone interact. energy: -1.665 local terms energy: -474.600400 where: bonds (distance) C4'-P energy: -73.750 bonds (distance) P-C4' energy: -86.848 flat angles C4'-P-C4' energy: -101.481 flat angles P-C4'-P energy: -64.534 tors. eta vs tors. theta energy: -147.987 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1625.951077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.951077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.951077 (E_RNA) where: Base-Base interactions energy: -1192.240 where: short stacking energy: -513.691 Base-Backbone interact. energy: 0.561 local terms energy: -434.271476 where: bonds (distance) C4'-P energy: -73.557 bonds (distance) P-C4' energy: -84.097 flat angles C4'-P-C4' energy: -93.213 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -131.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1558.589121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.589121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.589121 (E_RNA) where: Base-Base interactions energy: -1116.428 where: short stacking energy: -494.058 Base-Backbone interact. energy: -2.712 local terms energy: -439.448959 where: bonds (distance) C4'-P energy: -82.992 bonds (distance) P-C4' energy: -74.101 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -64.658 tors. eta vs tors. theta energy: -128.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1508.280023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.280023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.280023 (E_RNA) where: Base-Base interactions energy: -1093.051 where: short stacking energy: -517.594 Base-Backbone interact. energy: -1.399 local terms energy: -413.829578 where: bonds (distance) C4'-P energy: -49.251 bonds (distance) P-C4' energy: -76.506 flat angles C4'-P-C4' energy: -93.549 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -131.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1412.956710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.956710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.956710 (E_RNA) where: Base-Base interactions energy: -1010.255 where: short stacking energy: -464.286 Base-Backbone interact. energy: -0.099 local terms energy: -402.602998 where: bonds (distance) C4'-P energy: -56.285 bonds (distance) P-C4' energy: -65.418 flat angles C4'-P-C4' energy: -96.184 flat angles P-C4'-P energy: -63.557 tors. eta vs tors. theta energy: -121.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1982.859774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.859774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.859774 (E_RNA) where: Base-Base interactions energy: -1424.713 where: short stacking energy: -649.820 Base-Backbone interact. energy: -0.811 local terms energy: -557.335447 where: bonds (distance) C4'-P energy: -93.306 bonds (distance) P-C4' energy: -97.559 flat angles C4'-P-C4' energy: -114.733 flat angles P-C4'-P energy: -74.685 tors. eta vs tors. theta energy: -177.052 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: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1914.540019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.540019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.540019 (E_RNA) where: Base-Base interactions energy: -1372.500 where: short stacking energy: -623.779 Base-Backbone interact. energy: -1.156 local terms energy: -540.883812 where: bonds (distance) C4'-P energy: -96.116 bonds (distance) P-C4' energy: -86.378 flat angles C4'-P-C4' energy: -117.150 flat angles P-C4'-P energy: -71.998 tors. eta vs tors. theta energy: -169.242 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: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1811.630534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.630534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.630534 (E_RNA) where: Base-Base interactions energy: -1299.475 where: short stacking energy: -582.466 Base-Backbone interact. energy: -0.909 local terms energy: -511.247246 where: bonds (distance) C4'-P energy: -93.089 bonds (distance) P-C4' energy: -91.701 flat angles C4'-P-C4' energy: -101.020 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -163.839 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: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1779.597086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.597086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.597086 (E_RNA) where: Base-Base interactions energy: -1289.459 where: short stacking energy: -573.837 Base-Backbone interact. energy: -1.520 local terms energy: -488.618171 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -98.696 flat angles C4'-P-C4' energy: -99.926 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -139.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1759.491507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.491507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.491507 (E_RNA) where: Base-Base interactions energy: -1281.720 where: short stacking energy: -583.757 Base-Backbone interact. energy: 1.366 local terms energy: -479.138003 where: bonds (distance) C4'-P energy: -85.026 bonds (distance) P-C4' energy: -86.526 flat angles C4'-P-C4' energy: -99.908 flat angles P-C4'-P energy: -64.755 tors. eta vs tors. theta energy: -142.923 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: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1693.742865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.742865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.742865 (E_RNA) where: Base-Base interactions energy: -1218.700 where: short stacking energy: -559.994 Base-Backbone interact. energy: 0.146 local terms energy: -475.188266 where: bonds (distance) C4'-P energy: -78.006 bonds (distance) P-C4' energy: -86.762 flat angles C4'-P-C4' energy: -93.623 flat angles P-C4'-P energy: -64.609 tors. eta vs tors. theta energy: -152.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1607.174934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.174934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.174934 (E_RNA) where: Base-Base interactions energy: -1156.595 where: short stacking energy: -542.129 Base-Backbone interact. energy: 0.293 local terms energy: -450.872678 where: bonds (distance) C4'-P energy: -73.196 bonds (distance) P-C4' energy: -82.985 flat angles C4'-P-C4' energy: -94.668 flat angles P-C4'-P energy: -57.381 tors. eta vs tors. theta energy: -142.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1527.192576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.192576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.192576 (E_RNA) where: Base-Base interactions energy: -1099.553 where: short stacking energy: -502.430 Base-Backbone interact. energy: -0.713 local terms energy: -426.926872 where: bonds (distance) C4'-P energy: -88.268 bonds (distance) P-C4' energy: -66.899 flat angles C4'-P-C4' energy: -92.880 flat angles P-C4'-P energy: -47.487 tors. eta vs tors. theta energy: -131.394 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: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1489.073812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.073812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.073812 (E_RNA) where: Base-Base interactions energy: -1047.295 where: short stacking energy: -477.638 Base-Backbone interact. energy: -1.343 local terms energy: -440.435703 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -101.870 flat angles P-C4'-P energy: -57.414 tors. eta vs tors. theta energy: -129.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1374.226940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.226940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.226940 (E_RNA) where: Base-Base interactions energy: -965.251 where: short stacking energy: -446.730 Base-Backbone interact. energy: 3.748 local terms energy: -412.723911 where: bonds (distance) C4'-P energy: -63.642 bonds (distance) P-C4' energy: -73.247 flat angles C4'-P-C4' energy: -97.940 flat angles P-C4'-P energy: -54.891 tors. eta vs tors. theta energy: -123.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1957.042402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.042402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.042402 (E_RNA) where: Base-Base interactions energy: -1384.174 where: short stacking energy: -645.355 Base-Backbone interact. energy: -1.551 local terms energy: -571.317891 where: bonds (distance) C4'-P energy: -101.359 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -173.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1956.263378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.263378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.263378 (E_RNA) where: Base-Base interactions energy: -1388.119 where: short stacking energy: -628.909 Base-Backbone interact. energy: -1.491 local terms energy: -566.652621 where: bonds (distance) C4'-P energy: -103.560 bonds (distance) P-C4' energy: -95.759 flat angles C4'-P-C4' energy: -115.470 flat angles P-C4'-P energy: -78.441 tors. eta vs tors. theta energy: -173.423 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: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1822.230345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.230345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.230345 (E_RNA) where: Base-Base interactions energy: -1312.213 where: short stacking energy: -576.424 Base-Backbone interact. energy: -3.255 local terms energy: -506.762306 where: bonds (distance) C4'-P energy: -85.728 bonds (distance) P-C4' energy: -89.407 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -75.306 tors. eta vs tors. theta energy: -148.186 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1776.877770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.877770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.877770 (E_RNA) where: Base-Base interactions energy: -1274.914 where: short stacking energy: -563.257 Base-Backbone interact. energy: -1.163 local terms energy: -500.801395 where: bonds (distance) C4'-P energy: -83.570 bonds (distance) P-C4' energy: -85.690 flat angles C4'-P-C4' energy: -106.281 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -151.452 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: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1755.188931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.188931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.188931 (E_RNA) where: Base-Base interactions energy: -1292.709 where: short stacking energy: -587.749 Base-Backbone interact. energy: 10.821 local terms energy: -473.301131 where: bonds (distance) C4'-P energy: -82.321 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -94.445 flat angles P-C4'-P energy: -72.846 tors. eta vs tors. theta energy: -146.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1691.806780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.806780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.806780 (E_RNA) where: Base-Base interactions energy: -1221.810 where: short stacking energy: -540.652 Base-Backbone interact. energy: -1.251 local terms energy: -468.745363 where: bonds (distance) C4'-P energy: -79.193 bonds (distance) P-C4' energy: -72.278 flat angles C4'-P-C4' energy: -97.264 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -151.206 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: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1608.610625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.610625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.610625 (E_RNA) where: Base-Base interactions energy: -1164.376 where: short stacking energy: -525.630 Base-Backbone interact. energy: 0.006 local terms energy: -444.241000 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -90.905 flat angles C4'-P-C4' energy: -85.843 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: -143.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1527.802381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.802381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.802381 (E_RNA) where: Base-Base interactions energy: -1067.701 where: short stacking energy: -471.021 Base-Backbone interact. energy: -1.576 local terms energy: -458.525916 where: bonds (distance) C4'-P energy: -73.617 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -104.440 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -128.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1505.667709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.667709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.667709 (E_RNA) where: Base-Base interactions energy: -1081.428 where: short stacking energy: -491.452 Base-Backbone interact. energy: -0.819 local terms energy: -423.419993 where: bonds (distance) C4'-P energy: -58.286 bonds (distance) P-C4' energy: -74.410 flat angles C4'-P-C4' energy: -95.531 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: -131.863 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: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1372.337507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.337507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.337507 (E_RNA) where: Base-Base interactions energy: -972.565 where: short stacking energy: -481.543 Base-Backbone interact. energy: -0.115 local terms energy: -399.657689 where: bonds (distance) C4'-P energy: -64.589 bonds (distance) P-C4' energy: -64.910 flat angles C4'-P-C4' energy: -86.132 flat angles P-C4'-P energy: -58.788 tors. eta vs tors. theta energy: -125.238 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: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1922.773806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.773806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.773806 (E_RNA) where: Base-Base interactions energy: -1362.556 where: short stacking energy: -628.658 Base-Backbone interact. energy: -1.049 local terms energy: -559.168947 where: bonds (distance) C4'-P energy: -95.887 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -114.757 flat angles P-C4'-P energy: -85.027 tors. eta vs tors. theta energy: -173.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1942.141199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.141199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.141199 (E_RNA) where: Base-Base interactions energy: -1407.429 where: short stacking energy: -627.380 Base-Backbone interact. energy: -1.082 local terms energy: -533.629587 where: bonds (distance) C4'-P energy: -83.248 bonds (distance) P-C4' energy: -89.443 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -77.388 tors. eta vs tors. theta energy: -169.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1834.341572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.341572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.341572 (E_RNA) where: Base-Base interactions energy: -1305.627 where: short stacking energy: -594.818 Base-Backbone interact. energy: -0.974 local terms energy: -527.740626 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -102.346 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -71.854 tors. eta vs tors. theta energy: -153.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1785.732145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.732145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.732145 (E_RNA) where: Base-Base interactions energy: -1267.351 where: short stacking energy: -562.490 Base-Backbone interact. energy: -2.392 local terms energy: -515.989040 where: bonds (distance) C4'-P energy: -83.033 bonds (distance) P-C4' energy: -100.748 flat angles C4'-P-C4' energy: -103.165 flat angles P-C4'-P energy: -81.976 tors. eta vs tors. theta energy: -147.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1739.170047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.170047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.170047 (E_RNA) where: Base-Base interactions energy: -1252.117 where: short stacking energy: -542.559 Base-Backbone interact. energy: -3.539 local terms energy: -483.513680 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -81.400 flat angles C4'-P-C4' energy: -98.372 flat angles P-C4'-P energy: -63.031 tors. eta vs tors. theta energy: -148.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1675.231858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.231858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.231858 (E_RNA) where: Base-Base interactions energy: -1191.191 where: short stacking energy: -541.866 Base-Backbone interact. energy: -1.979 local terms energy: -482.061066 where: bonds (distance) C4'-P energy: -80.272 bonds (distance) P-C4' energy: -87.506 flat angles C4'-P-C4' energy: -97.711 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -154.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1670.823700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.823700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.823700 (E_RNA) where: Base-Base interactions energy: -1196.920 where: short stacking energy: -553.779 Base-Backbone interact. energy: -1.256 local terms energy: -472.647823 where: bonds (distance) C4'-P energy: -80.418 bonds (distance) P-C4' energy: -86.142 flat angles C4'-P-C4' energy: -99.157 flat angles P-C4'-P energy: -58.033 tors. eta vs tors. theta energy: -148.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1592.556143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.556143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.556143 (E_RNA) where: Base-Base interactions energy: -1143.914 where: short stacking energy: -524.227 Base-Backbone interact. energy: -0.595 local terms energy: -448.047039 where: bonds (distance) C4'-P energy: -74.112 bonds (distance) P-C4' energy: -76.869 flat angles C4'-P-C4' energy: -97.661 flat angles P-C4'-P energy: -56.571 tors. eta vs tors. theta energy: -142.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1494.016810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.016810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.016810 (E_RNA) where: Base-Base interactions energy: -1059.151 where: short stacking energy: -478.001 Base-Backbone interact. energy: -2.181 local terms energy: -432.684820 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -78.351 flat angles C4'-P-C4' energy: -89.722 flat angles P-C4'-P energy: -66.623 tors. eta vs tors. theta energy: -134.533 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: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1360.504329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.504329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.504329 (E_RNA) where: Base-Base interactions energy: -959.288 where: short stacking energy: -435.746 Base-Backbone interact. energy: -0.598 local terms energy: -400.618266 where: bonds (distance) C4'-P energy: -81.819 bonds (distance) P-C4' energy: -75.042 flat angles C4'-P-C4' energy: -81.617 flat angles P-C4'-P energy: -53.697 tors. eta vs tors. theta energy: -108.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1943.755724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.755724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.755724 (E_RNA) where: Base-Base interactions energy: -1388.684 where: short stacking energy: -642.916 Base-Backbone interact. energy: -2.554 local terms energy: -552.517029 where: bonds (distance) C4'-P energy: -89.045 bonds (distance) P-C4' energy: -94.934 flat angles C4'-P-C4' energy: -118.088 flat angles P-C4'-P energy: -81.780 tors. eta vs tors. theta energy: -168.669 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: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1955.424369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.424369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.424369 (E_RNA) where: Base-Base interactions energy: -1395.660 where: short stacking energy: -632.643 Base-Backbone interact. energy: -2.330 local terms energy: -557.434322 where: bonds (distance) C4'-P energy: -96.678 bonds (distance) P-C4' energy: -93.374 flat angles C4'-P-C4' energy: -114.158 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -169.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1810.068070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.068070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.068070 (E_RNA) where: Base-Base interactions energy: -1294.443 where: short stacking energy: -586.835 Base-Backbone interact. energy: -1.593 local terms energy: -514.032026 where: bonds (distance) C4'-P energy: -98.157 bonds (distance) P-C4' energy: -92.383 flat angles C4'-P-C4' energy: -105.688 flat angles P-C4'-P energy: -61.541 tors. eta vs tors. theta energy: -156.263 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: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1775.362414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.362414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.362414 (E_RNA) where: Base-Base interactions energy: -1281.734 where: short stacking energy: -591.995 Base-Backbone interact. energy: -1.676 local terms energy: -491.952251 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -107.029 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -159.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1764.662366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.662366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.662366 (E_RNA) where: Base-Base interactions energy: -1280.490 where: short stacking energy: -567.905 Base-Backbone interact. energy: -0.432 local terms energy: -483.739932 where: bonds (distance) C4'-P energy: -85.930 bonds (distance) P-C4' energy: -77.063 flat angles C4'-P-C4' energy: -102.051 flat angles P-C4'-P energy: -72.595 tors. eta vs tors. theta energy: -146.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1673.153447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.153447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.153447 (E_RNA) where: Base-Base interactions energy: -1224.443 where: short stacking energy: -564.924 Base-Backbone interact. energy: -2.108 local terms energy: -446.601784 where: bonds (distance) C4'-P energy: -63.226 bonds (distance) P-C4' energy: -71.510 flat angles C4'-P-C4' energy: -95.898 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -153.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1629.033417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.033417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.033417 (E_RNA) where: Base-Base interactions energy: -1179.670 where: short stacking energy: -536.899 Base-Backbone interact. energy: -1.969 local terms energy: -447.394545 where: bonds (distance) C4'-P energy: -76.124 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -89.726 flat angles P-C4'-P energy: -71.301 tors. eta vs tors. theta energy: -142.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1551.053446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.053446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.053446 (E_RNA) where: Base-Base interactions energy: -1080.069 where: short stacking energy: -521.372 Base-Backbone interact. energy: -0.462 local terms energy: -470.522300 where: bonds (distance) C4'-P energy: -80.257 bonds (distance) P-C4' energy: -77.016 flat angles C4'-P-C4' energy: -99.592 flat angles P-C4'-P energy: -65.433 tors. eta vs tors. theta energy: -148.225 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1410.570867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.570867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.570867 (E_RNA) where: Base-Base interactions energy: -997.766 where: short stacking energy: -486.715 Base-Backbone interact. energy: 0.291 local terms energy: -413.095705 where: bonds (distance) C4'-P energy: -80.065 bonds (distance) P-C4' energy: -81.020 flat angles C4'-P-C4' energy: -78.430 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: -112.399 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1461.378395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.378395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.378395 (E_RNA) where: Base-Base interactions energy: -1053.209 where: short stacking energy: -467.441 Base-Backbone interact. energy: -1.281 local terms energy: -406.888149 where: bonds (distance) C4'-P energy: -67.753 bonds (distance) P-C4' energy: -76.734 flat angles C4'-P-C4' energy: -84.691 flat angles P-C4'-P energy: -56.806 tors. eta vs tors. theta energy: -120.904 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: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1938.717805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.717805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.717805 (E_RNA) where: Base-Base interactions energy: -1374.385 where: short stacking energy: -636.337 Base-Backbone interact. energy: -0.363 local terms energy: -563.969998 where: bonds (distance) C4'-P energy: -93.592 bonds (distance) P-C4' energy: -102.402 flat angles C4'-P-C4' energy: -116.999 flat angles P-C4'-P energy: -76.813 tors. eta vs tors. theta energy: -174.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1942.490521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.490521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.490521 (E_RNA) where: Base-Base interactions energy: -1401.033 where: short stacking energy: -643.471 Base-Backbone interact. energy: -2.672 local terms energy: -538.786030 where: bonds (distance) C4'-P energy: -104.036 bonds (distance) P-C4' energy: -87.355 flat angles C4'-P-C4' energy: -104.031 flat angles P-C4'-P energy: -69.938 tors. eta vs tors. theta energy: -173.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1805.413023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.413023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.413023 (E_RNA) where: Base-Base interactions energy: -1319.462 where: short stacking energy: -578.411 Base-Backbone interact. energy: -0.217 local terms energy: -485.734520 where: bonds (distance) C4'-P energy: -89.361 bonds (distance) P-C4' energy: -79.717 flat angles C4'-P-C4' energy: -107.517 flat angles P-C4'-P energy: -59.361 tors. eta vs tors. theta energy: -149.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1795.054501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.054501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.054501 (E_RNA) where: Base-Base interactions energy: -1297.940 where: short stacking energy: -585.535 Base-Backbone interact. energy: -1.858 local terms energy: -495.256685 where: bonds (distance) C4'-P energy: -89.675 bonds (distance) P-C4' energy: -79.919 flat angles C4'-P-C4' energy: -100.349 flat angles P-C4'-P energy: -79.220 tors. eta vs tors. theta energy: -146.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1750.979894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.979894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.979894 (E_RNA) where: Base-Base interactions energy: -1250.137 where: short stacking energy: -570.834 Base-Backbone interact. energy: -0.879 local terms energy: -499.962951 where: bonds (distance) C4'-P energy: -71.987 bonds (distance) P-C4' energy: -91.275 flat angles C4'-P-C4' energy: -112.214 flat angles P-C4'-P energy: -71.191 tors. eta vs tors. theta energy: -153.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1670.281155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.281155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.281155 (E_RNA) where: Base-Base interactions energy: -1210.892 where: short stacking energy: -552.941 Base-Backbone interact. energy: -0.104 local terms energy: -459.285584 where: bonds (distance) C4'-P energy: -82.559 bonds (distance) P-C4' energy: -68.643 flat angles C4'-P-C4' energy: -97.751 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -150.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1613.835696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.835696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.835696 (E_RNA) where: Base-Base interactions energy: -1155.094 where: short stacking energy: -533.064 Base-Backbone interact. energy: 0.487 local terms energy: -459.228879 where: bonds (distance) C4'-P energy: -65.926 bonds (distance) P-C4' energy: -85.822 flat angles C4'-P-C4' energy: -99.562 flat angles P-C4'-P energy: -67.492 tors. eta vs tors. theta energy: -140.427 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: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1541.539219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.539219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.539219 (E_RNA) where: Base-Base interactions energy: -1095.793 where: short stacking energy: -499.566 Base-Backbone interact. energy: -0.762 local terms energy: -444.983644 where: bonds (distance) C4'-P energy: -79.927 bonds (distance) P-C4' energy: -69.143 flat angles C4'-P-C4' energy: -93.791 flat angles P-C4'-P energy: -58.232 tors. eta vs tors. theta energy: -143.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1340.547527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.547527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.547527 (E_RNA) where: Base-Base interactions energy: -943.500 where: short stacking energy: -438.462 Base-Backbone interact. energy: -1.122 local terms energy: -395.925472 where: bonds (distance) C4'-P energy: -73.872 bonds (distance) P-C4' energy: -78.564 flat angles C4'-P-C4' energy: -87.943 flat angles P-C4'-P energy: -44.257 tors. eta vs tors. theta energy: -111.290 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: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1523.761889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.761889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.761889 (E_RNA) where: Base-Base interactions energy: -1123.436 where: short stacking energy: -490.992 Base-Backbone interact. energy: -0.572 local terms energy: -399.754334 where: bonds (distance) C4'-P energy: -79.531 bonds (distance) P-C4' energy: -56.580 flat angles C4'-P-C4' energy: -91.752 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -125.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1941.760038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.760038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.760038 (E_RNA) where: Base-Base interactions energy: -1379.073 where: short stacking energy: -616.787 Base-Backbone interact. energy: -2.405 local terms energy: -560.282072 where: bonds (distance) C4'-P energy: -90.353 bonds (distance) P-C4' energy: -98.001 flat angles C4'-P-C4' energy: -118.480 flat angles P-C4'-P energy: -83.951 tors. eta vs tors. theta energy: -169.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1921.640647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.640647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.640647 (E_RNA) where: Base-Base interactions energy: -1390.867 where: short stacking energy: -626.221 Base-Backbone interact. energy: -2.732 local terms energy: -528.042136 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -88.084 flat angles C4'-P-C4' energy: -108.667 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -171.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1818.192066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.192066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.192066 (E_RNA) where: Base-Base interactions energy: -1314.525 where: short stacking energy: -590.460 Base-Backbone interact. energy: -0.535 local terms energy: -503.132770 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -83.871 flat angles C4'-P-C4' energy: -107.956 flat angles P-C4'-P energy: -80.845 tors. eta vs tors. theta energy: -144.810 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: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1783.199521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.199521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.199521 (E_RNA) where: Base-Base interactions energy: -1283.030 where: short stacking energy: -576.132 Base-Backbone interact. energy: -2.317 local terms energy: -497.852697 where: bonds (distance) C4'-P energy: -97.211 bonds (distance) P-C4' energy: -86.805 flat angles C4'-P-C4' energy: -91.794 flat angles P-C4'-P energy: -72.061 tors. eta vs tors. theta energy: -149.981 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: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1784.551579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.551579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.551579 (E_RNA) where: Base-Base interactions energy: -1297.181 where: short stacking energy: -582.758 Base-Backbone interact. energy: -0.812 local terms energy: -486.558030 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -102.519 flat angles P-C4'-P energy: -69.658 tors. eta vs tors. theta energy: -144.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1725.545933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.545933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.545933 (E_RNA) where: Base-Base interactions energy: -1240.497 where: short stacking energy: -575.199 Base-Backbone interact. energy: -2.136 local terms energy: -482.912541 where: bonds (distance) C4'-P energy: -86.204 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -99.918 flat angles P-C4'-P energy: -61.912 tors. eta vs tors. theta energy: -159.892 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: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1597.372982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.372982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.372982 (E_RNA) where: Base-Base interactions energy: -1124.399 where: short stacking energy: -544.310 Base-Backbone interact. energy: -1.188 local terms energy: -471.786004 where: bonds (distance) C4'-P energy: -77.675 bonds (distance) P-C4' energy: -79.301 flat angles C4'-P-C4' energy: -101.787 flat angles P-C4'-P energy: -61.372 tors. eta vs tors. theta energy: -151.652 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: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1593.969563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.969563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.969563 (E_RNA) where: Base-Base interactions energy: -1165.250 where: short stacking energy: -528.610 Base-Backbone interact. energy: -0.626 local terms energy: -428.093119 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -78.196 flat angles C4'-P-C4' energy: -98.778 flat angles P-C4'-P energy: -52.155 tors. eta vs tors. theta energy: -132.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1490.328414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.328414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.328414 (E_RNA) where: Base-Base interactions energy: -1060.093 where: short stacking energy: -484.413 Base-Backbone interact. energy: -1.459 local terms energy: -428.777036 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -66.548 flat angles C4'-P-C4' energy: -100.028 flat angles P-C4'-P energy: -64.546 tors. eta vs tors. theta energy: -126.604 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: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1285.707776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.707776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.707776 (E_RNA) where: Base-Base interactions energy: -929.842 where: short stacking energy: -439.412 Base-Backbone interact. energy: -0.897 local terms energy: -354.968377 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -89.385 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -103.394 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: 425 Temperature: 0.900000 Total energy: -1948.441375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.441375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.441375 (E_RNA) where: Base-Base interactions energy: -1393.100 where: short stacking energy: -621.213 Base-Backbone interact. energy: -0.946 local terms energy: -554.395423 where: bonds (distance) C4'-P energy: -98.858 bonds (distance) P-C4' energy: -95.268 flat angles C4'-P-C4' energy: -114.436 flat angles P-C4'-P energy: -79.456 tors. eta vs tors. theta energy: -166.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1938.172189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.172189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.172189 (E_RNA) where: Base-Base interactions energy: -1379.927 where: short stacking energy: -619.292 Base-Backbone interact. energy: -0.719 local terms energy: -557.526409 where: bonds (distance) C4'-P energy: -88.861 bonds (distance) P-C4' energy: -96.330 flat angles C4'-P-C4' energy: -115.394 flat angles P-C4'-P energy: -88.387 tors. eta vs tors. theta energy: -168.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1803.276917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.276917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.276917 (E_RNA) where: Base-Base interactions energy: -1313.748 where: short stacking energy: -592.480 Base-Backbone interact. energy: -1.633 local terms energy: -487.896623 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -67.541 flat angles C4'-P-C4' energy: -111.646 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -152.193 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: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1794.819481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.819481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.819481 (E_RNA) where: Base-Base interactions energy: -1308.537 where: short stacking energy: -582.467 Base-Backbone interact. energy: -1.023 local terms energy: -485.258746 where: bonds (distance) C4'-P energy: -77.306 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -111.249 flat angles P-C4'-P energy: -56.314 tors. eta vs tors. theta energy: -150.130 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: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1740.314477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.314477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.314477 (E_RNA) where: Base-Base interactions energy: -1266.388 where: short stacking energy: -555.472 Base-Backbone interact. energy: -2.454 local terms energy: -471.472772 where: bonds (distance) C4'-P energy: -78.801 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -96.508 flat angles P-C4'-P energy: -59.229 tors. eta vs tors. theta energy: -148.924 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: 6, replica: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1674.046701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.046701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.046701 (E_RNA) where: Base-Base interactions energy: -1221.973 where: short stacking energy: -545.415 Base-Backbone interact. energy: -1.291 local terms energy: -450.782679 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -87.495 flat angles C4'-P-C4' energy: -89.758 flat angles P-C4'-P energy: -63.948 tors. eta vs tors. theta energy: -141.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1577.059584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.059584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.059584 (E_RNA) where: Base-Base interactions energy: -1152.135 where: short stacking energy: -554.748 Base-Backbone interact. energy: -3.466 local terms energy: -421.458571 where: bonds (distance) C4'-P energy: -50.967 bonds (distance) P-C4' energy: -73.687 flat angles C4'-P-C4' energy: -94.420 flat angles P-C4'-P energy: -58.929 tors. eta vs tors. theta energy: -143.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1561.428782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.428782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.428782 (E_RNA) where: Base-Base interactions energy: -1118.529 where: short stacking energy: -502.351 Base-Backbone interact. energy: -1.627 local terms energy: -441.273114 where: bonds (distance) C4'-P energy: -71.936 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -90.936 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -133.157 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: 425 Temperature: 1.300000 Total energy: -1502.617835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.617835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.617835 (E_RNA) where: Base-Base interactions energy: -1047.420 where: short stacking energy: -477.525 Base-Backbone interact. energy: -1.105 local terms energy: -454.092760 where: bonds (distance) C4'-P energy: -83.862 bonds (distance) P-C4' energy: -79.860 flat angles C4'-P-C4' energy: -103.862 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -133.445 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: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1213.582901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.582901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.582901 (E_RNA) where: Base-Base interactions energy: -842.934 where: short stacking energy: -390.676 Base-Backbone interact. energy: -2.008 local terms energy: -368.641474 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -81.315 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: -95.923 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: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1972.864008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.864008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.864008 (E_RNA) where: Base-Base interactions energy: -1419.985 where: short stacking energy: -646.691 Base-Backbone interact. energy: -2.417 local terms energy: -550.462449 where: bonds (distance) C4'-P energy: -94.120 bonds (distance) P-C4' energy: -94.735 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -167.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1913.216950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.216950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.216950 (E_RNA) where: Base-Base interactions energy: -1386.880 where: short stacking energy: -636.891 Base-Backbone interact. energy: 0.305 local terms energy: -526.642046 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -71.272 flat angles C4'-P-C4' energy: -115.050 flat angles P-C4'-P energy: -79.160 tors. eta vs tors. theta energy: -164.714 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: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1811.142507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.142507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.142507 (E_RNA) where: Base-Base interactions energy: -1301.018 where: short stacking energy: -579.178 Base-Backbone interact. energy: -1.119 local terms energy: -509.005806 where: bonds (distance) C4'-P energy: -81.813 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -109.447 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -152.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1809.463693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.463693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.463693 (E_RNA) where: Base-Base interactions energy: -1312.796 where: short stacking energy: -588.743 Base-Backbone interact. energy: -0.020 local terms energy: -496.647555 where: bonds (distance) C4'-P energy: -78.841 bonds (distance) P-C4' energy: -82.086 flat angles C4'-P-C4' energy: -115.260 flat angles P-C4'-P energy: -69.603 tors. eta vs tors. theta energy: -150.858 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: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1746.194194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.194194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.194194 (E_RNA) where: Base-Base interactions energy: -1267.395 where: short stacking energy: -533.606 Base-Backbone interact. energy: 3.250 local terms energy: -482.048401 where: bonds (distance) C4'-P energy: -82.044 bonds (distance) P-C4' energy: -92.358 flat angles C4'-P-C4' energy: -98.075 flat angles P-C4'-P energy: -60.765 tors. eta vs tors. theta energy: -148.806 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: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1654.861843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.861843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.861843 (E_RNA) where: Base-Base interactions energy: -1205.544 where: short stacking energy: -547.678 Base-Backbone interact. energy: 2.138 local terms energy: -451.456128 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -79.192 flat angles C4'-P-C4' energy: -99.797 flat angles P-C4'-P energy: -50.958 tors. eta vs tors. theta energy: -148.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1595.282027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.282027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.282027 (E_RNA) where: Base-Base interactions energy: -1120.792 where: short stacking energy: -558.286 Base-Backbone interact. energy: -1.042 local terms energy: -473.448172 where: bonds (distance) C4'-P energy: -81.390 bonds (distance) P-C4' energy: -85.840 flat angles C4'-P-C4' energy: -98.964 flat angles P-C4'-P energy: -59.745 tors. eta vs tors. theta energy: -147.510 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: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1563.160743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.160743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.160743 (E_RNA) where: Base-Base interactions energy: -1107.465 where: short stacking energy: -490.615 Base-Backbone interact. energy: -2.205 local terms energy: -453.491327 where: bonds (distance) C4'-P energy: -78.094 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -93.615 flat angles P-C4'-P energy: -58.434 tors. eta vs tors. theta energy: -131.064 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: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1539.730672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.730672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.730672 (E_RNA) where: Base-Base interactions energy: -1114.984 where: short stacking energy: -491.736 Base-Backbone interact. energy: -3.963 local terms energy: -420.783603 where: bonds (distance) C4'-P energy: -71.042 bonds (distance) P-C4' energy: -74.819 flat angles C4'-P-C4' energy: -91.555 flat angles P-C4'-P energy: -55.686 tors. eta vs tors. theta energy: -127.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1104.186184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.186184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.186184 (E_RNA) where: Base-Base interactions energy: -742.106 where: short stacking energy: -352.716 Base-Backbone interact. energy: 3.398 local terms energy: -365.477831 where: bonds (distance) C4'-P energy: -70.387 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -88.345 flat angles P-C4'-P energy: -53.913 tors. eta vs tors. theta energy: -82.486 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: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1978.070191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.070191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.070191 (E_RNA) where: Base-Base interactions energy: -1427.012 where: short stacking energy: -655.292 Base-Backbone interact. energy: -1.850 local terms energy: -549.207869 where: bonds (distance) C4'-P energy: -89.914 bonds (distance) P-C4' energy: -92.853 flat angles C4'-P-C4' energy: -113.928 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -174.552 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: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1910.955624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.955624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.955624 (E_RNA) where: Base-Base interactions energy: -1378.122 where: short stacking energy: -627.722 Base-Backbone interact. energy: -2.394 local terms energy: -530.439440 where: bonds (distance) C4'-P energy: -90.045 bonds (distance) P-C4' energy: -98.728 flat angles C4'-P-C4' energy: -105.092 flat angles P-C4'-P energy: -72.534 tors. eta vs tors. theta energy: -164.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1834.079999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.079999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.079999 (E_RNA) where: Base-Base interactions energy: -1316.783 where: short stacking energy: -589.803 Base-Backbone interact. energy: -2.242 local terms energy: -515.055126 where: bonds (distance) C4'-P energy: -86.291 bonds (distance) P-C4' energy: -89.351 flat angles C4'-P-C4' energy: -107.053 flat angles P-C4'-P energy: -77.710 tors. eta vs tors. theta energy: -154.650 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: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1836.403830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.403830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.403830 (E_RNA) where: Base-Base interactions energy: -1329.070 where: short stacking energy: -588.059 Base-Backbone interact. energy: -2.121 local terms energy: -505.212519 where: bonds (distance) C4'-P energy: -81.960 bonds (distance) P-C4' energy: -92.472 flat angles C4'-P-C4' energy: -103.297 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -156.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1765.458520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.458520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.458520 (E_RNA) where: Base-Base interactions energy: -1242.636 where: short stacking energy: -545.140 Base-Backbone interact. energy: -0.460 local terms energy: -522.362605 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -91.883 flat angles C4'-P-C4' energy: -113.455 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -149.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1695.301131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.301131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.301131 (E_RNA) where: Base-Base interactions energy: -1235.813 where: short stacking energy: -565.506 Base-Backbone interact. energy: 1.691 local terms energy: -461.179357 where: bonds (distance) C4'-P energy: -67.399 bonds (distance) P-C4' energy: -94.696 flat angles C4'-P-C4' energy: -86.972 flat angles P-C4'-P energy: -65.277 tors. eta vs tors. theta energy: -146.835 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: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1593.084889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.084889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.084889 (E_RNA) where: Base-Base interactions energy: -1130.663 where: short stacking energy: -545.351 Base-Backbone interact. energy: -0.189 local terms energy: -462.233095 where: bonds (distance) C4'-P energy: -77.673 bonds (distance) P-C4' energy: -69.307 flat angles C4'-P-C4' energy: -102.969 flat angles P-C4'-P energy: -69.812 tors. eta vs tors. theta energy: -142.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1568.847728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.847728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.847728 (E_RNA) where: Base-Base interactions energy: -1111.928 where: short stacking energy: -493.085 Base-Backbone interact. energy: -0.917 local terms energy: -456.002246 where: bonds (distance) C4'-P energy: -77.265 bonds (distance) P-C4' energy: -87.163 flat angles C4'-P-C4' energy: -95.919 flat angles P-C4'-P energy: -57.168 tors. eta vs tors. theta energy: -138.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1530.282480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.282480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.282480 (E_RNA) where: Base-Base interactions energy: -1102.439 where: short stacking energy: -491.648 Base-Backbone interact. energy: -3.349 local terms energy: -424.493839 where: bonds (distance) C4'-P energy: -75.792 bonds (distance) P-C4' energy: -71.772 flat angles C4'-P-C4' energy: -96.782 flat angles P-C4'-P energy: -55.172 tors. eta vs tors. theta energy: -124.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1160.830230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.830230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.830230 (E_RNA) where: Base-Base interactions energy: -803.161 where: short stacking energy: -366.843 Base-Backbone interact. energy: 0.748 local terms energy: -358.417224 where: bonds (distance) C4'-P energy: -61.679 bonds (distance) P-C4' energy: -86.312 flat angles C4'-P-C4' energy: -86.087 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -84.872 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: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1978.215315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.215315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.215315 (E_RNA) where: Base-Base interactions energy: -1411.804 where: short stacking energy: -662.607 Base-Backbone interact. energy: -0.869 local terms energy: -565.541554 where: bonds (distance) C4'-P energy: -99.991 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -115.285 flat angles P-C4'-P energy: -80.375 tors. eta vs tors. theta energy: -169.267 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: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1906.791871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.791871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.791871 (E_RNA) where: Base-Base interactions energy: -1375.111 where: short stacking energy: -615.814 Base-Backbone interact. energy: -1.689 local terms energy: -529.991337 where: bonds (distance) C4'-P energy: -91.785 bonds (distance) P-C4' energy: -94.704 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -168.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1878.241258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.241258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.241258 (E_RNA) where: Base-Base interactions energy: -1361.692 where: short stacking energy: -592.222 Base-Backbone interact. energy: -2.281 local terms energy: -514.267943 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -87.385 flat angles C4'-P-C4' energy: -108.724 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -159.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1811.845936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.845936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.845936 (E_RNA) where: Base-Base interactions energy: -1297.235 where: short stacking energy: -570.351 Base-Backbone interact. energy: -2.067 local terms energy: -512.543746 where: bonds (distance) C4'-P energy: -89.832 bonds (distance) P-C4' energy: -84.914 flat angles C4'-P-C4' energy: -110.913 flat angles P-C4'-P energy: -74.990 tors. eta vs tors. theta energy: -151.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1759.000706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.000706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.000706 (E_RNA) where: Base-Base interactions energy: -1265.107 where: short stacking energy: -562.793 Base-Backbone interact. energy: -1.279 local terms energy: -492.615211 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -86.278 flat angles C4'-P-C4' energy: -105.309 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -145.336 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: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1687.181307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.181307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.181307 (E_RNA) where: Base-Base interactions energy: -1208.585 where: short stacking energy: -551.121 Base-Backbone interact. energy: -2.289 local terms energy: -476.307675 where: bonds (distance) C4'-P energy: -83.113 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -94.540 flat angles P-C4'-P energy: -60.958 tors. eta vs tors. theta energy: -149.987 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: 428 Temperature: 1.200000 Total energy: -1590.450779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.450779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.450779 (E_RNA) where: Base-Base interactions energy: -1158.138 where: short stacking energy: -521.252 Base-Backbone interact. energy: -2.388 local terms energy: -429.924487 where: bonds (distance) C4'-P energy: -69.966 bonds (distance) P-C4' energy: -78.140 flat angles C4'-P-C4' energy: -92.800 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -133.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1544.045808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.045808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.045808 (E_RNA) where: Base-Base interactions energy: -1106.423 where: short stacking energy: -526.838 Base-Backbone interact. energy: 0.021 local terms energy: -437.643369 where: bonds (distance) C4'-P energy: -82.221 bonds (distance) P-C4' energy: -72.982 flat angles C4'-P-C4' energy: -100.933 flat angles P-C4'-P energy: -48.725 tors. eta vs tors. theta energy: -132.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1487.915021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.915021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.915021 (E_RNA) where: Base-Base interactions energy: -1064.947 where: short stacking energy: -462.298 Base-Backbone interact. energy: -3.138 local terms energy: -419.830258 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -74.319 flat angles C4'-P-C4' energy: -98.590 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -132.356 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: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1118.097459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.097459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.097459 (E_RNA) where: Base-Base interactions energy: -736.174 where: short stacking energy: -368.105 Base-Backbone interact. energy: -2.534 local terms energy: -379.389398 where: bonds (distance) C4'-P energy: -70.345 bonds (distance) P-C4' energy: -74.770 flat angles C4'-P-C4' energy: -90.618 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: -76.105 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: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1979.646596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.646596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.646596 (E_RNA) where: Base-Base interactions energy: -1443.804 where: short stacking energy: -650.792 Base-Backbone interact. energy: -1.094 local terms energy: -534.748709 where: bonds (distance) C4'-P energy: -86.264 bonds (distance) P-C4' energy: -92.588 flat angles C4'-P-C4' energy: -110.112 flat angles P-C4'-P energy: -74.377 tors. eta vs tors. theta energy: -171.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1916.253908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.253908 (E_RNA) where: Base-Base interactions energy: -1385.354 where: short stacking energy: -634.994 Base-Backbone interact. energy: -3.082 local terms energy: -527.818606 where: bonds (distance) C4'-P energy: -85.682 bonds (distance) P-C4' energy: -76.373 flat angles C4'-P-C4' energy: -113.404 flat angles P-C4'-P energy: -84.027 tors. eta vs tors. theta energy: -168.332 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: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1859.968254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.968254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.968254 (E_RNA) where: Base-Base interactions energy: -1345.718 where: short stacking energy: -603.552 Base-Backbone interact. energy: 3.128 local terms energy: -517.378308 where: bonds (distance) C4'-P energy: -83.533 bonds (distance) P-C4' energy: -95.771 flat angles C4'-P-C4' energy: -113.264 flat angles P-C4'-P energy: -65.119 tors. eta vs tors. theta energy: -159.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1804.975986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.975986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.975986 (E_RNA) where: Base-Base interactions energy: -1309.730 where: short stacking energy: -582.371 Base-Backbone interact. energy: -0.463 local terms energy: -494.783427 where: bonds (distance) C4'-P energy: -79.097 bonds (distance) P-C4' energy: -87.798 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -62.391 tors. eta vs tors. theta energy: -154.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1765.654981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.654981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.654981 (E_RNA) where: Base-Base interactions energy: -1281.186 where: short stacking energy: -566.193 Base-Backbone interact. energy: -2.833 local terms energy: -481.635319 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -83.077 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -155.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1630.453506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.453506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.453506 (E_RNA) where: Base-Base interactions energy: -1157.238 where: short stacking energy: -512.247 Base-Backbone interact. energy: -3.412 local terms energy: -469.803821 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -84.075 flat angles C4'-P-C4' energy: -101.523 flat angles P-C4'-P energy: -58.628 tors. eta vs tors. theta energy: -140.883 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: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1647.832531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.832531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.832531 (E_RNA) where: Base-Base interactions energy: -1185.866 where: short stacking energy: -515.839 Base-Backbone interact. energy: -0.668 local terms energy: -461.298388 where: bonds (distance) C4'-P energy: -83.194 bonds (distance) P-C4' energy: -69.496 flat angles C4'-P-C4' energy: -102.562 flat angles P-C4'-P energy: -65.220 tors. eta vs tors. theta energy: -140.826 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: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1553.334771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.334771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.334771 (E_RNA) where: Base-Base interactions energy: -1113.007 where: short stacking energy: -476.766 Base-Backbone interact. energy: -2.253 local terms energy: -438.075075 where: bonds (distance) C4'-P energy: -74.900 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -97.443 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -132.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1431.136167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.136167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.136167 (E_RNA) where: Base-Base interactions energy: -1005.023 where: short stacking energy: -490.478 Base-Backbone interact. energy: -0.815 local terms energy: -425.299043 where: bonds (distance) C4'-P energy: -86.040 bonds (distance) P-C4' energy: -78.537 flat angles C4'-P-C4' energy: -83.762 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -125.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1178.857449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.857449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.857449 (E_RNA) where: Base-Base interactions energy: -801.602 where: short stacking energy: -410.346 Base-Backbone interact. energy: -0.553 local terms energy: -376.702153 where: bonds (distance) C4'-P energy: -68.948 bonds (distance) P-C4' energy: -79.673 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -39.813 tors. eta vs tors. theta energy: -98.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1968.199195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.199195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.199195 (E_RNA) where: Base-Base interactions energy: -1421.554 where: short stacking energy: -640.387 Base-Backbone interact. energy: -0.544 local terms energy: -546.101331 where: bonds (distance) C4'-P energy: -96.115 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -114.660 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -167.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1920.289334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.289334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.289334 (E_RNA) where: Base-Base interactions energy: -1378.772 where: short stacking energy: -638.250 Base-Backbone interact. energy: 0.373 local terms energy: -541.890415 where: bonds (distance) C4'-P energy: -93.474 bonds (distance) P-C4' energy: -91.246 flat angles C4'-P-C4' energy: -108.635 flat angles P-C4'-P energy: -74.942 tors. eta vs tors. theta energy: -173.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1847.756823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.756823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.756823 (E_RNA) where: Base-Base interactions energy: -1325.945 where: short stacking energy: -592.675 Base-Backbone interact. energy: -2.707 local terms energy: -519.104627 where: bonds (distance) C4'-P energy: -81.401 bonds (distance) P-C4' energy: -93.693 flat angles C4'-P-C4' energy: -103.107 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -161.804 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: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1799.103057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.103057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.103057 (E_RNA) where: Base-Base interactions energy: -1293.539 where: short stacking energy: -567.875 Base-Backbone interact. energy: 0.338 local terms energy: -505.902246 where: bonds (distance) C4'-P energy: -80.000 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -106.586 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -152.464 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: 430 Temperature: 1.100000 Total energy: -1745.645016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.645016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.645016 (E_RNA) where: Base-Base interactions energy: -1240.177 where: short stacking energy: -568.373 Base-Backbone interact. energy: -2.557 local terms energy: -502.911176 where: bonds (distance) C4'-P energy: -87.441 bonds (distance) P-C4' energy: -90.037 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -151.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1709.976243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.976243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.976243 (E_RNA) where: Base-Base interactions energy: -1218.801 where: short stacking energy: -560.843 Base-Backbone interact. energy: -4.249 local terms energy: -486.926949 where: bonds (distance) C4'-P energy: -77.699 bonds (distance) P-C4' energy: -88.867 flat angles C4'-P-C4' energy: -102.630 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: -151.768 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: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1685.726914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.726914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.726914 (E_RNA) where: Base-Base interactions energy: -1209.764 where: short stacking energy: -545.026 Base-Backbone interact. energy: 1.218 local terms energy: -477.180852 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -82.170 flat angles C4'-P-C4' energy: -102.355 flat angles P-C4'-P energy: -62.222 tors. eta vs tors. theta energy: -150.502 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: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1591.659875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.659875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.659875 (E_RNA) where: Base-Base interactions energy: -1145.773 where: short stacking energy: -495.551 Base-Backbone interact. energy: -0.435 local terms energy: -445.451192 where: bonds (distance) C4'-P energy: -89.212 bonds (distance) P-C4' energy: -72.753 flat angles C4'-P-C4' energy: -94.616 flat angles P-C4'-P energy: -56.385 tors. eta vs tors. theta energy: -132.484 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: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1457.063530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.063530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.063530 (E_RNA) where: Base-Base interactions energy: -1027.897 where: short stacking energy: -473.831 Base-Backbone interact. energy: -1.132 local terms energy: -428.034952 where: bonds (distance) C4'-P energy: -87.421 bonds (distance) P-C4' energy: -84.356 flat angles C4'-P-C4' energy: -87.472 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -121.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1149.422836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.422836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.422836 (E_RNA) where: Base-Base interactions energy: -783.621 where: short stacking energy: -350.312 Base-Backbone interact. energy: -0.365 local terms energy: -365.436817 where: bonds (distance) C4'-P energy: -75.989 bonds (distance) P-C4' energy: -71.616 flat angles C4'-P-C4' energy: -92.191 flat angles P-C4'-P energy: -44.487 tors. eta vs tors. theta energy: -81.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1963.137459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.137459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.137459 (E_RNA) where: Base-Base interactions energy: -1419.065 where: short stacking energy: -640.587 Base-Backbone interact. energy: -0.946 local terms energy: -543.126573 where: bonds (distance) C4'-P energy: -89.368 bonds (distance) P-C4' energy: -96.556 flat angles C4'-P-C4' energy: -114.046 flat angles P-C4'-P energy: -74.127 tors. eta vs tors. theta energy: -169.030 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: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1928.079739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.079739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.079739 (E_RNA) where: Base-Base interactions energy: -1382.457 where: short stacking energy: -634.921 Base-Backbone interact. energy: -0.375 local terms energy: -545.247835 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -97.955 flat angles C4'-P-C4' energy: -111.458 flat angles P-C4'-P energy: -77.613 tors. eta vs tors. theta energy: -165.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1842.320149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.320149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.320149 (E_RNA) where: Base-Base interactions energy: -1334.409 where: short stacking energy: -594.684 Base-Backbone interact. energy: -1.404 local terms energy: -506.507957 where: bonds (distance) C4'-P energy: -81.946 bonds (distance) P-C4' energy: -79.532 flat angles C4'-P-C4' energy: -109.117 flat angles P-C4'-P energy: -80.419 tors. eta vs tors. theta energy: -155.493 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: 431 Temperature: 1.050000 Total energy: -1800.549572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.549572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.549572 (E_RNA) where: Base-Base interactions energy: -1291.296 where: short stacking energy: -577.699 Base-Backbone interact. energy: -0.413 local terms energy: -508.841120 where: bonds (distance) C4'-P energy: -86.723 bonds (distance) P-C4' energy: -80.014 flat angles C4'-P-C4' energy: -110.048 flat angles P-C4'-P energy: -75.383 tors. eta vs tors. theta energy: -156.673 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: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1757.098509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.098509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.098509 (E_RNA) where: Base-Base interactions energy: -1280.248 where: short stacking energy: -565.313 Base-Backbone interact. energy: -3.369 local terms energy: -473.481613 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -106.978 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: -147.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1713.944690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.944690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.944690 (E_RNA) where: Base-Base interactions energy: -1233.837 where: short stacking energy: -573.406 Base-Backbone interact. energy: -1.610 local terms energy: -478.497131 where: bonds (distance) C4'-P energy: -73.588 bonds (distance) P-C4' energy: -80.756 flat angles C4'-P-C4' energy: -101.769 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -151.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1647.098923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.098923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.098923 (E_RNA) where: Base-Base interactions energy: -1178.801 where: short stacking energy: -542.684 Base-Backbone interact. energy: 5.197 local terms energy: -473.494718 where: bonds (distance) C4'-P energy: -78.840 bonds (distance) P-C4' energy: -94.954 flat angles C4'-P-C4' energy: -97.270 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: -147.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1579.128645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.128645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.128645 (E_RNA) where: Base-Base interactions energy: -1151.127 where: short stacking energy: -506.816 Base-Backbone interact. energy: -3.369 local terms energy: -424.632910 where: bonds (distance) C4'-P energy: -63.953 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -86.247 flat angles P-C4'-P energy: -59.182 tors. eta vs tors. theta energy: -141.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1475.334147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.334147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.334147 (E_RNA) where: Base-Base interactions energy: -992.268 where: short stacking energy: -478.255 Base-Backbone interact. energy: -0.903 local terms energy: -482.163090 where: bonds (distance) C4'-P energy: -86.391 bonds (distance) P-C4' energy: -85.844 flat angles C4'-P-C4' energy: -96.897 flat angles P-C4'-P energy: -79.493 tors. eta vs tors. theta energy: -133.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1180.074685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.074685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.074685 (E_RNA) where: Base-Base interactions energy: -811.748 where: short stacking energy: -384.942 Base-Backbone interact. energy: 4.859 local terms energy: -373.185632 where: bonds (distance) C4'-P energy: -82.108 bonds (distance) P-C4' energy: -56.628 flat angles C4'-P-C4' energy: -84.234 flat angles P-C4'-P energy: -53.904 tors. eta vs tors. theta energy: -96.312 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: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1970.011718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.011718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.011718 (E_RNA) where: Base-Base interactions energy: -1411.435 where: short stacking energy: -633.668 Base-Backbone interact. energy: -2.271 local terms energy: -556.306368 where: bonds (distance) C4'-P energy: -97.683 bonds (distance) P-C4' energy: -93.215 flat angles C4'-P-C4' energy: -112.262 flat angles P-C4'-P energy: -82.847 tors. eta vs tors. theta energy: -170.300 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: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1904.431010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.431010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.431010 (E_RNA) where: Base-Base interactions energy: -1389.474 where: short stacking energy: -644.928 Base-Backbone interact. energy: -1.407 local terms energy: -513.549779 where: bonds (distance) C4'-P energy: -82.566 bonds (distance) P-C4' energy: -82.627 flat angles C4'-P-C4' energy: -110.353 flat angles P-C4'-P energy: -73.288 tors. eta vs tors. theta energy: -164.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1863.632837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.632837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.632837 (E_RNA) where: Base-Base interactions energy: -1356.504 where: short stacking energy: -590.907 Base-Backbone interact. energy: -1.226 local terms energy: -505.903689 where: bonds (distance) C4'-P energy: -86.164 bonds (distance) P-C4' energy: -81.008 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -158.367 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: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1811.045876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.045876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.045876 (E_RNA) where: Base-Base interactions energy: -1275.822 where: short stacking energy: -577.834 Base-Backbone interact. energy: -1.301 local terms energy: -533.922716 where: bonds (distance) C4'-P energy: -93.629 bonds (distance) P-C4' energy: -98.955 flat angles C4'-P-C4' energy: -110.859 flat angles P-C4'-P energy: -70.511 tors. eta vs tors. theta energy: -159.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1741.839943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.839943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.839943 (E_RNA) where: Base-Base interactions energy: -1246.227 where: short stacking energy: -560.714 Base-Backbone interact. energy: -2.880 local terms energy: -492.732859 where: bonds (distance) C4'-P energy: -85.826 bonds (distance) P-C4' energy: -81.835 flat angles C4'-P-C4' energy: -98.898 flat angles P-C4'-P energy: -69.354 tors. eta vs tors. theta energy: -156.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1733.719560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.719560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.719560 (E_RNA) where: Base-Base interactions energy: -1241.124 where: short stacking energy: -534.190 Base-Backbone interact. energy: -2.003 local terms energy: -490.592904 where: bonds (distance) C4'-P energy: -80.910 bonds (distance) P-C4' energy: -81.087 flat angles C4'-P-C4' energy: -104.058 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -155.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1681.890669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.890669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.890669 (E_RNA) where: Base-Base interactions energy: -1224.233 where: short stacking energy: -553.996 Base-Backbone interact. energy: -3.185 local terms energy: -454.472805 where: bonds (distance) C4'-P energy: -69.954 bonds (distance) P-C4' energy: -84.297 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -60.619 tors. eta vs tors. theta energy: -141.267 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: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1508.131610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.131610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.131610 (E_RNA) where: Base-Base interactions energy: -1062.559 where: short stacking energy: -483.191 Base-Backbone interact. energy: -1.555 local terms energy: -444.017031 where: bonds (distance) C4'-P energy: -90.741 bonds (distance) P-C4' energy: -70.105 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -51.680 tors. eta vs tors. theta energy: -126.979 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: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1440.789089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.789089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.789089 (E_RNA) where: Base-Base interactions energy: -1035.161 where: short stacking energy: -455.832 Base-Backbone interact. energy: 0.655 local terms energy: -406.283345 where: bonds (distance) C4'-P energy: -67.593 bonds (distance) P-C4' energy: -56.813 flat angles C4'-P-C4' energy: -93.577 flat angles P-C4'-P energy: -69.915 tors. eta vs tors. theta energy: -118.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1244.448388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.448388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.448388 (E_RNA) where: Base-Base interactions energy: -857.130 where: short stacking energy: -428.817 Base-Backbone interact. energy: -0.493 local terms energy: -386.825224 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -72.346 flat angles C4'-P-C4' energy: -84.096 flat angles P-C4'-P energy: -56.898 tors. eta vs tors. theta energy: -100.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1974.793523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.793523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.793523 (E_RNA) where: Base-Base interactions energy: -1417.917 where: short stacking energy: -635.686 Base-Backbone interact. energy: -2.274 local terms energy: -554.603290 where: bonds (distance) C4'-P energy: -101.155 bonds (distance) P-C4' energy: -86.924 flat angles C4'-P-C4' energy: -116.747 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -167.807 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: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1921.288379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.288379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.288379 (E_RNA) where: Base-Base interactions energy: -1389.378 where: short stacking energy: -636.852 Base-Backbone interact. energy: -2.850 local terms energy: -529.060541 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -87.009 flat angles C4'-P-C4' energy: -111.381 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -164.184 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: 433 Temperature: 1.000000 Total energy: -1887.590002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.590002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.590002 (E_RNA) where: Base-Base interactions energy: -1360.755 where: short stacking energy: -612.600 Base-Backbone interact. energy: -0.667 local terms energy: -526.167969 where: bonds (distance) C4'-P energy: -92.298 bonds (distance) P-C4' energy: -88.104 flat angles C4'-P-C4' energy: -100.750 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -158.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1783.555569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.555569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.555569 (E_RNA) where: Base-Base interactions energy: -1272.201 where: short stacking energy: -567.739 Base-Backbone interact. energy: -1.389 local terms energy: -509.964858 where: bonds (distance) C4'-P energy: -96.856 bonds (distance) P-C4' energy: -76.937 flat angles C4'-P-C4' energy: -104.880 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -160.833 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: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1690.737280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.737280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.737280 (E_RNA) where: Base-Base interactions energy: -1204.471 where: short stacking energy: -545.269 Base-Backbone interact. energy: -2.999 local terms energy: -483.267280 where: bonds (distance) C4'-P energy: -79.534 bonds (distance) P-C4' energy: -89.545 flat angles C4'-P-C4' energy: -99.655 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -150.688 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: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1703.531011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.531011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.531011 (E_RNA) where: Base-Base interactions energy: -1249.342 where: short stacking energy: -562.892 Base-Backbone interact. energy: -2.695 local terms energy: -451.494017 where: bonds (distance) C4'-P energy: -73.586 bonds (distance) P-C4' energy: -72.744 flat angles C4'-P-C4' energy: -94.913 flat angles P-C4'-P energy: -67.181 tors. eta vs tors. theta energy: -143.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1659.300882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.300882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.300882 (E_RNA) where: Base-Base interactions energy: -1216.877 where: short stacking energy: -521.290 Base-Backbone interact. energy: -1.715 local terms energy: -440.708739 where: bonds (distance) C4'-P energy: -69.189 bonds (distance) P-C4' energy: -77.461 flat angles C4'-P-C4' energy: -101.322 flat angles P-C4'-P energy: -52.221 tors. eta vs tors. theta energy: -140.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1522.444620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.444620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.444620 (E_RNA) where: Base-Base interactions energy: -1057.979 where: short stacking energy: -495.914 Base-Backbone interact. energy: -0.419 local terms energy: -464.046452 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -95.413 flat angles C4'-P-C4' energy: -98.744 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -139.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1440.152878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.152878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.152878 (E_RNA) where: Base-Base interactions energy: -1049.049 where: short stacking energy: -467.382 Base-Backbone interact. energy: 5.291 local terms energy: -396.394346 where: bonds (distance) C4'-P energy: -70.323 bonds (distance) P-C4' energy: -59.922 flat angles C4'-P-C4' energy: -86.274 flat angles P-C4'-P energy: -59.435 tors. eta vs tors. theta energy: -120.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1233.081220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.081220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.081220 (E_RNA) where: Base-Base interactions energy: -849.389 where: short stacking energy: -405.124 Base-Backbone interact. energy: 0.173 local terms energy: -383.865561 where: bonds (distance) C4'-P energy: -71.346 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -85.642 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -99.644 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: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1987.029809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.029809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.029809 (E_RNA) where: Base-Base interactions energy: -1441.976 where: short stacking energy: -654.048 Base-Backbone interact. energy: -1.520 local terms energy: -543.533774 where: bonds (distance) C4'-P energy: -87.513 bonds (distance) P-C4' energy: -95.837 flat angles C4'-P-C4' energy: -106.893 flat angles P-C4'-P energy: -76.719 tors. eta vs tors. theta energy: -176.572 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: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1913.516486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.516486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.516486 (E_RNA) where: Base-Base interactions energy: -1374.988 where: short stacking energy: -638.050 Base-Backbone interact. energy: -0.540 local terms energy: -537.988578 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -88.880 flat angles C4'-P-C4' energy: -116.267 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -169.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1852.434860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.434860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.434860 (E_RNA) where: Base-Base interactions energy: -1330.666 where: short stacking energy: -576.019 Base-Backbone interact. energy: -3.139 local terms energy: -518.630018 where: bonds (distance) C4'-P energy: -81.283 bonds (distance) P-C4' energy: -98.397 flat angles C4'-P-C4' energy: -110.141 flat angles P-C4'-P energy: -70.800 tors. eta vs tors. theta energy: -158.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1790.191293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.191293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.191293 (E_RNA) where: Base-Base interactions energy: -1267.088 where: short stacking energy: -568.358 Base-Backbone interact. energy: -2.884 local terms energy: -520.219586 where: bonds (distance) C4'-P energy: -92.440 bonds (distance) P-C4' energy: -81.781 flat angles C4'-P-C4' energy: -111.684 flat angles P-C4'-P energy: -75.200 tors. eta vs tors. theta energy: -159.115 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: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1705.702945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.702945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.702945 (E_RNA) where: Base-Base interactions energy: -1216.668 where: short stacking energy: -546.801 Base-Backbone interact. energy: -1.788 local terms energy: -487.247071 where: bonds (distance) C4'-P energy: -86.814 bonds (distance) P-C4' energy: -79.766 flat angles C4'-P-C4' energy: -97.491 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: -156.647 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1674.046253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.046253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.046253 (E_RNA) where: Base-Base interactions energy: -1188.898 where: short stacking energy: -548.177 Base-Backbone interact. energy: -1.807 local terms energy: -483.340838 where: bonds (distance) C4'-P energy: -89.677 bonds (distance) P-C4' energy: -82.635 flat angles C4'-P-C4' energy: -103.294 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: -142.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1669.726709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.726709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.726709 (E_RNA) where: Base-Base interactions energy: -1205.707 where: short stacking energy: -542.439 Base-Backbone interact. energy: -0.724 local terms energy: -463.295178 where: bonds (distance) C4'-P energy: -77.929 bonds (distance) P-C4' energy: -76.275 flat angles C4'-P-C4' energy: -105.566 flat angles P-C4'-P energy: -61.207 tors. eta vs tors. theta energy: -142.318 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: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1542.748220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.748220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.748220 (E_RNA) where: Base-Base interactions energy: -1084.172 where: short stacking energy: -516.788 Base-Backbone interact. energy: -0.779 local terms energy: -457.797066 where: bonds (distance) C4'-P energy: -76.229 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -103.098 flat angles P-C4'-P energy: -63.074 tors. eta vs tors. theta energy: -128.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1437.074479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.074479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.074479 (E_RNA) where: Base-Base interactions energy: -1030.555 where: short stacking energy: -450.749 Base-Backbone interact. energy: -2.880 local terms energy: -403.639790 where: bonds (distance) C4'-P energy: -71.272 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -95.133 flat angles P-C4'-P energy: -45.417 tors. eta vs tors. theta energy: -123.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1286.247916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.247916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.247916 (E_RNA) where: Base-Base interactions energy: -903.089 where: short stacking energy: -423.395 Base-Backbone interact. energy: 0.674 local terms energy: -383.833718 where: bonds (distance) C4'-P energy: -60.852 bonds (distance) P-C4' energy: -79.039 flat angles C4'-P-C4' energy: -75.992 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: -106.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1982.248655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.248655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.248655 (E_RNA) where: Base-Base interactions energy: -1419.977 where: short stacking energy: -634.987 Base-Backbone interact. energy: -1.311 local terms energy: -560.960430 where: bonds (distance) C4'-P energy: -97.929 bonds (distance) P-C4' energy: -91.276 flat angles C4'-P-C4' energy: -118.856 flat angles P-C4'-P energy: -82.065 tors. eta vs tors. theta energy: -170.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1899.026249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.026249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.026249 (E_RNA) where: Base-Base interactions energy: -1356.251 where: short stacking energy: -617.346 Base-Backbone interact. energy: 1.931 local terms energy: -544.706406 where: bonds (distance) C4'-P energy: -82.416 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -112.534 flat angles P-C4'-P energy: -78.887 tors. eta vs tors. theta energy: -170.439 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: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1838.643155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.643155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.643155 (E_RNA) where: Base-Base interactions energy: -1323.351 where: short stacking energy: -591.396 Base-Backbone interact. energy: -2.469 local terms energy: -512.822697 where: bonds (distance) C4'-P energy: -76.211 bonds (distance) P-C4' energy: -92.781 flat angles C4'-P-C4' energy: -111.355 flat angles P-C4'-P energy: -74.719 tors. eta vs tors. theta energy: -157.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1809.778903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.778903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.778903 (E_RNA) where: Base-Base interactions energy: -1293.848 where: short stacking energy: -594.358 Base-Backbone interact. energy: -1.678 local terms energy: -514.252356 where: bonds (distance) C4'-P energy: -83.645 bonds (distance) P-C4' energy: -98.714 flat angles C4'-P-C4' energy: -102.210 flat angles P-C4'-P energy: -67.631 tors. eta vs tors. theta energy: -162.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1679.782033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.782033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.782033 (E_RNA) where: Base-Base interactions energy: -1191.411 where: short stacking energy: -529.200 Base-Backbone interact. energy: 4.296 local terms energy: -492.666872 where: bonds (distance) C4'-P energy: -93.056 bonds (distance) P-C4' energy: -90.897 flat angles C4'-P-C4' energy: -97.572 flat angles P-C4'-P energy: -70.027 tors. eta vs tors. theta energy: -141.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1728.800325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.800325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.800325 (E_RNA) where: Base-Base interactions energy: -1262.182 where: short stacking energy: -569.801 Base-Backbone interact. energy: -1.486 local terms energy: -465.132729 where: bonds (distance) C4'-P energy: -69.986 bonds (distance) P-C4' energy: -83.403 flat angles C4'-P-C4' energy: -101.980 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -155.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1681.097649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.097649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.097649 (E_RNA) where: Base-Base interactions energy: -1212.305 where: short stacking energy: -527.173 Base-Backbone interact. energy: -1.112 local terms energy: -467.680154 where: bonds (distance) C4'-P energy: -82.768 bonds (distance) P-C4' energy: -82.071 flat angles C4'-P-C4' energy: -97.874 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -148.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1547.247340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.247340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.247340 (E_RNA) where: Base-Base interactions energy: -1098.782 where: short stacking energy: -541.769 Base-Backbone interact. energy: -0.614 local terms energy: -447.851174 where: bonds (distance) C4'-P energy: -77.514 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -88.992 flat angles P-C4'-P energy: -70.758 tors. eta vs tors. theta energy: -141.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1489.668710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.668710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.668710 (E_RNA) where: Base-Base interactions energy: -1092.007 where: short stacking energy: -483.955 Base-Backbone interact. energy: 0.928 local terms energy: -398.589635 where: bonds (distance) C4'-P energy: -78.168 bonds (distance) P-C4' energy: -57.613 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -134.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1221.237945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.237945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.237945 (E_RNA) where: Base-Base interactions energy: -846.880 where: short stacking energy: -397.452 Base-Backbone interact. energy: -2.511 local terms energy: -371.847221 where: bonds (distance) C4'-P energy: -78.992 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -82.077 flat angles P-C4'-P energy: -47.647 tors. eta vs tors. theta energy: -88.230 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: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1966.761516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.761516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.761516 (E_RNA) where: Base-Base interactions energy: -1404.218 where: short stacking energy: -640.789 Base-Backbone interact. energy: 2.045 local terms energy: -564.587922 where: bonds (distance) C4'-P energy: -94.670 bonds (distance) P-C4' energy: -97.425 flat angles C4'-P-C4' energy: -111.938 flat angles P-C4'-P energy: -88.425 tors. eta vs tors. theta energy: -172.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1896.799548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.799548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.799548 (E_RNA) where: Base-Base interactions energy: -1375.445 where: short stacking energy: -627.335 Base-Backbone interact. energy: -1.194 local terms energy: -520.160487 where: bonds (distance) C4'-P energy: -83.542 bonds (distance) P-C4' energy: -92.445 flat angles C4'-P-C4' energy: -105.497 flat angles P-C4'-P energy: -78.152 tors. eta vs tors. theta energy: -160.524 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: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1819.897919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.897919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.897919 (E_RNA) where: Base-Base interactions energy: -1310.716 where: short stacking energy: -586.819 Base-Backbone interact. energy: -0.449 local terms energy: -508.733012 where: bonds (distance) C4'-P energy: -88.804 bonds (distance) P-C4' energy: -84.917 flat angles C4'-P-C4' energy: -108.257 flat angles P-C4'-P energy: -70.149 tors. eta vs tors. theta energy: -156.606 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: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1807.871593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.871593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.871593 (E_RNA) where: Base-Base interactions energy: -1316.730 where: short stacking energy: -571.552 Base-Backbone interact. energy: 0.585 local terms energy: -491.726419 where: bonds (distance) C4'-P energy: -91.289 bonds (distance) P-C4' energy: -86.070 flat angles C4'-P-C4' energy: -99.911 flat angles P-C4'-P energy: -64.836 tors. eta vs tors. theta energy: -149.621 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: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1727.921396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.921396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.921396 (E_RNA) where: Base-Base interactions energy: -1226.925 where: short stacking energy: -542.849 Base-Backbone interact. energy: 0.287 local terms energy: -501.283655 where: bonds (distance) C4'-P energy: -86.407 bonds (distance) P-C4' energy: -89.700 flat angles C4'-P-C4' energy: -105.598 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: -149.193 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1671.670212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.670212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.670212 (E_RNA) where: Base-Base interactions energy: -1184.064 where: short stacking energy: -523.346 Base-Backbone interact. energy: -1.088 local terms energy: -486.519000 where: bonds (distance) C4'-P energy: -82.440 bonds (distance) P-C4' energy: -85.779 flat angles C4'-P-C4' energy: -95.994 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -148.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1644.765123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.765123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.765123 (E_RNA) where: Base-Base interactions energy: -1194.230 where: short stacking energy: -511.906 Base-Backbone interact. energy: -2.109 local terms energy: -448.425721 where: bonds (distance) C4'-P energy: -81.137 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -102.273 flat angles P-C4'-P energy: -58.455 tors. eta vs tors. theta energy: -146.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1516.303396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.303396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.303396 (E_RNA) where: Base-Base interactions energy: -1062.256 where: short stacking energy: -506.615 Base-Backbone interact. energy: 1.256 local terms energy: -455.303615 where: bonds (distance) C4'-P energy: -76.249 bonds (distance) P-C4' energy: -85.066 flat angles C4'-P-C4' energy: -97.091 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -132.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1528.587919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.587919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.587919 (E_RNA) where: Base-Base interactions energy: -1090.180 where: short stacking energy: -500.967 Base-Backbone interact. energy: -2.036 local terms energy: -436.372128 where: bonds (distance) C4'-P energy: -61.325 bonds (distance) P-C4' energy: -71.120 flat angles C4'-P-C4' energy: -108.814 flat angles P-C4'-P energy: -50.098 tors. eta vs tors. theta energy: -145.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1225.146921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.146921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.146921 (E_RNA) where: Base-Base interactions energy: -849.817 where: short stacking energy: -419.777 Base-Backbone interact. energy: -1.887 local terms energy: -373.443113 where: bonds (distance) C4'-P energy: -75.331 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -84.719 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -106.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1970.876933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.876933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.876933 (E_RNA) where: Base-Base interactions energy: -1426.308 where: short stacking energy: -648.635 Base-Backbone interact. energy: -1.438 local terms energy: -543.131256 where: bonds (distance) C4'-P energy: -92.053 bonds (distance) P-C4' energy: -84.633 flat angles C4'-P-C4' energy: -115.247 flat angles P-C4'-P energy: -80.533 tors. eta vs tors. theta energy: -170.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1917.132839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.132839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.132839 (E_RNA) where: Base-Base interactions energy: -1378.285 where: short stacking energy: -641.929 Base-Backbone interact. energy: -0.690 local terms energy: -538.157262 where: bonds (distance) C4'-P energy: -85.814 bonds (distance) P-C4' energy: -92.888 flat angles C4'-P-C4' energy: -120.554 flat angles P-C4'-P energy: -77.087 tors. eta vs tors. theta energy: -161.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1840.553784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.553784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.553784 (E_RNA) where: Base-Base interactions energy: -1332.833 where: short stacking energy: -594.513 Base-Backbone interact. energy: -1.246 local terms energy: -506.474759 where: bonds (distance) C4'-P energy: -88.422 bonds (distance) P-C4' energy: -83.737 flat angles C4'-P-C4' energy: -102.047 flat angles P-C4'-P energy: -73.896 tors. eta vs tors. theta energy: -158.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1836.366736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.366736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.366736 (E_RNA) where: Base-Base interactions energy: -1332.960 where: short stacking energy: -613.642 Base-Backbone interact. energy: -1.654 local terms energy: -501.752569 where: bonds (distance) C4'-P energy: -83.993 bonds (distance) P-C4' energy: -91.234 flat angles C4'-P-C4' energy: -101.624 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -152.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1745.705437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.705437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.705437 (E_RNA) where: Base-Base interactions energy: -1253.922 where: short stacking energy: -571.476 Base-Backbone interact. energy: -1.565 local terms energy: -490.218764 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -84.567 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: -153.334 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: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1684.263020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.263020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.263020 (E_RNA) where: Base-Base interactions energy: -1211.572 where: short stacking energy: -543.708 Base-Backbone interact. energy: -1.975 local terms energy: -470.716009 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -81.784 flat angles C4'-P-C4' energy: -107.640 flat angles P-C4'-P energy: -68.102 tors. eta vs tors. theta energy: -145.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1671.347046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.347046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.347046 (E_RNA) where: Base-Base interactions energy: -1212.708 where: short stacking energy: -543.399 Base-Backbone interact. energy: -1.403 local terms energy: -457.236489 where: bonds (distance) C4'-P energy: -69.683 bonds (distance) P-C4' energy: -78.921 flat angles C4'-P-C4' energy: -104.860 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: -145.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1509.239317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.239317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.239317 (E_RNA) where: Base-Base interactions energy: -1068.561 where: short stacking energy: -509.914 Base-Backbone interact. energy: -1.757 local terms energy: -438.921095 where: bonds (distance) C4'-P energy: -68.709 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -98.953 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -137.576 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: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1516.440937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.440937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.440937 (E_RNA) where: Base-Base interactions energy: -1092.440 where: short stacking energy: -491.437 Base-Backbone interact. energy: -0.765 local terms energy: -423.236701 where: bonds (distance) C4'-P energy: -73.484 bonds (distance) P-C4' energy: -67.281 flat angles C4'-P-C4' energy: -85.482 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -132.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1255.559110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.559110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.559110 (E_RNA) where: Base-Base interactions energy: -865.400 where: short stacking energy: -410.791 Base-Backbone interact. energy: -0.933 local terms energy: -389.226241 where: bonds (distance) C4'-P energy: -85.042 bonds (distance) P-C4' energy: -76.452 flat angles C4'-P-C4' energy: -78.553 flat angles P-C4'-P energy: -46.276 tors. eta vs tors. theta energy: -102.903 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: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1977.774897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.774897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.774897 (E_RNA) where: Base-Base interactions energy: -1409.908 where: short stacking energy: -636.107 Base-Backbone interact. energy: -1.346 local terms energy: -566.520123 where: bonds (distance) C4'-P energy: -97.023 bonds (distance) P-C4' energy: -100.273 flat angles C4'-P-C4' energy: -120.604 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: -174.501 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: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1914.899633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.899633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.899633 (E_RNA) where: Base-Base interactions energy: -1370.812 where: short stacking energy: -617.615 Base-Backbone interact. energy: -2.925 local terms energy: -541.162760 where: bonds (distance) C4'-P energy: -100.499 bonds (distance) P-C4' energy: -91.342 flat angles C4'-P-C4' energy: -107.860 flat angles P-C4'-P energy: -73.051 tors. eta vs tors. theta energy: -168.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1823.802646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.802646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.802646 (E_RNA) where: Base-Base interactions energy: -1298.036 where: short stacking energy: -591.269 Base-Backbone interact. energy: -3.540 local terms energy: -522.227108 where: bonds (distance) C4'-P energy: -88.630 bonds (distance) P-C4' energy: -98.645 flat angles C4'-P-C4' energy: -104.967 flat angles P-C4'-P energy: -74.967 tors. eta vs tors. theta energy: -155.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1830.273310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.273310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.273310 (E_RNA) where: Base-Base interactions energy: -1328.054 where: short stacking energy: -580.938 Base-Backbone interact. energy: -2.288 local terms energy: -499.931365 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -104.633 flat angles P-C4'-P energy: -68.689 tors. eta vs tors. theta energy: -155.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1745.695109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.695109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.695109 (E_RNA) where: Base-Base interactions energy: -1242.295 where: short stacking energy: -561.401 Base-Backbone interact. energy: -0.714 local terms energy: -502.685925 where: bonds (distance) C4'-P energy: -105.602 bonds (distance) P-C4' energy: -97.717 flat angles C4'-P-C4' energy: -100.416 flat angles P-C4'-P energy: -53.760 tors. eta vs tors. theta energy: -145.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1652.346551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.346551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.346551 (E_RNA) where: Base-Base interactions energy: -1198.544 where: short stacking energy: -528.232 Base-Backbone interact. energy: -1.523 local terms energy: -452.280197 where: bonds (distance) C4'-P energy: -80.566 bonds (distance) P-C4' energy: -69.414 flat angles C4'-P-C4' energy: -87.921 flat angles P-C4'-P energy: -69.119 tors. eta vs tors. theta energy: -145.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1701.943526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.943526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.943526 (E_RNA) where: Base-Base interactions energy: -1225.945 where: short stacking energy: -552.354 Base-Backbone interact. energy: -0.690 local terms energy: -475.307621 where: bonds (distance) C4'-P energy: -78.834 bonds (distance) P-C4' energy: -84.481 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -151.328 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: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1557.582593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.582593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.582593 (E_RNA) where: Base-Base interactions energy: -1100.119 where: short stacking energy: -516.738 Base-Backbone interact. energy: -1.403 local terms energy: -456.060709 where: bonds (distance) C4'-P energy: -76.785 bonds (distance) P-C4' energy: -77.039 flat angles C4'-P-C4' energy: -96.931 flat angles P-C4'-P energy: -65.552 tors. eta vs tors. theta energy: -139.753 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: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1573.102455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.102455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.102455 (E_RNA) where: Base-Base interactions energy: -1125.971 where: short stacking energy: -505.428 Base-Backbone interact. energy: -0.652 local terms energy: -446.479485 where: bonds (distance) C4'-P energy: -82.156 bonds (distance) P-C4' energy: -65.035 flat angles C4'-P-C4' energy: -96.812 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: -140.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1223.359371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.359371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.359371 (E_RNA) where: Base-Base interactions energy: -848.816 where: short stacking energy: -396.808 Base-Backbone interact. energy: -0.443 local terms energy: -374.100658 where: bonds (distance) C4'-P energy: -65.832 bonds (distance) P-C4' energy: -63.941 flat angles C4'-P-C4' energy: -90.028 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -91.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1966.432721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.432721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.432721 (E_RNA) where: Base-Base interactions energy: -1409.783 where: short stacking energy: -654.298 Base-Backbone interact. energy: -0.533 local terms energy: -556.115763 where: bonds (distance) C4'-P energy: -93.197 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -112.014 flat angles P-C4'-P energy: -85.784 tors. eta vs tors. theta energy: -175.026 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1914.355410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.355410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.355410 (E_RNA) where: Base-Base interactions energy: -1369.239 where: short stacking energy: -630.982 Base-Backbone interact. energy: -3.587 local terms energy: -541.529002 where: bonds (distance) C4'-P energy: -90.331 bonds (distance) P-C4' energy: -84.846 flat angles C4'-P-C4' energy: -113.860 flat angles P-C4'-P energy: -84.061 tors. eta vs tors. theta energy: -168.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1834.635272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.635272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.635272 (E_RNA) where: Base-Base interactions energy: -1311.612 where: short stacking energy: -577.010 Base-Backbone interact. energy: -2.208 local terms energy: -520.815441 where: bonds (distance) C4'-P energy: -84.480 bonds (distance) P-C4' energy: -96.883 flat angles C4'-P-C4' energy: -116.288 flat angles P-C4'-P energy: -64.927 tors. eta vs tors. theta energy: -158.237 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: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1788.176631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.176631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.176631 (E_RNA) where: Base-Base interactions energy: -1289.773 where: short stacking energy: -594.515 Base-Backbone interact. energy: -0.733 local terms energy: -497.670926 where: bonds (distance) C4'-P energy: -81.919 bonds (distance) P-C4' energy: -94.237 flat angles C4'-P-C4' energy: -104.151 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -152.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1780.122746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.122746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.122746 (E_RNA) where: Base-Base interactions energy: -1279.835 where: short stacking energy: -581.840 Base-Backbone interact. energy: -3.637 local terms energy: -496.650431 where: bonds (distance) C4'-P energy: -97.506 bonds (distance) P-C4' energy: -80.770 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -152.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1707.104270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.104270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.104270 (E_RNA) where: Base-Base interactions energy: -1242.117 where: short stacking energy: -545.289 Base-Backbone interact. energy: 1.567 local terms energy: -466.554418 where: bonds (distance) C4'-P energy: -67.796 bonds (distance) P-C4' energy: -94.397 flat angles C4'-P-C4' energy: -94.468 flat angles P-C4'-P energy: -65.436 tors. eta vs tors. theta energy: -144.456 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: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1687.817047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.817047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.817047 (E_RNA) where: Base-Base interactions energy: -1217.948 where: short stacking energy: -550.587 Base-Backbone interact. energy: -2.162 local terms energy: -467.707133 where: bonds (distance) C4'-P energy: -72.414 bonds (distance) P-C4' energy: -70.479 flat angles C4'-P-C4' energy: -106.811 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: -151.779 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: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1596.046586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.046586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.046586 (E_RNA) where: Base-Base interactions energy: -1149.659 where: short stacking energy: -544.046 Base-Backbone interact. energy: -2.231 local terms energy: -444.156226 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -77.547 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -56.804 tors. eta vs tors. theta energy: -139.683 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: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1546.199828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.199828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.199828 (E_RNA) where: Base-Base interactions energy: -1131.187 where: short stacking energy: -477.695 Base-Backbone interact. energy: 0.069 local terms energy: -415.081913 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -88.877 flat angles P-C4'-P energy: -52.344 tors. eta vs tors. theta energy: -134.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1198.447518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.447518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.447518 (E_RNA) where: Base-Base interactions energy: -849.894 where: short stacking energy: -388.566 Base-Backbone interact. energy: -0.161 local terms energy: -348.392284 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -82.043 flat angles P-C4'-P energy: -31.546 tors. eta vs tors. theta energy: -92.006 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: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1993.334658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.334658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.334658 (E_RNA) where: Base-Base interactions energy: -1452.629 where: short stacking energy: -650.663 Base-Backbone interact. energy: -0.420 local terms energy: -540.285395 where: bonds (distance) C4'-P energy: -90.460 bonds (distance) P-C4' energy: -90.669 flat angles C4'-P-C4' energy: -106.634 flat angles P-C4'-P energy: -79.812 tors. eta vs tors. theta energy: -172.710 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: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1917.801430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.801430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.801430 (E_RNA) where: Base-Base interactions energy: -1365.724 where: short stacking energy: -629.404 Base-Backbone interact. energy: -1.201 local terms energy: -550.877151 where: bonds (distance) C4'-P energy: -93.690 bonds (distance) P-C4' energy: -91.556 flat angles C4'-P-C4' energy: -118.874 flat angles P-C4'-P energy: -79.243 tors. eta vs tors. theta energy: -167.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1849.626356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.626356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.626356 (E_RNA) where: Base-Base interactions energy: -1331.173 where: short stacking energy: -584.583 Base-Backbone interact. energy: -1.355 local terms energy: -517.098258 where: bonds (distance) C4'-P energy: -87.411 bonds (distance) P-C4' energy: -86.248 flat angles C4'-P-C4' energy: -110.108 flat angles P-C4'-P energy: -79.119 tors. eta vs tors. theta energy: -154.211 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: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1784.575439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.575439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.575439 (E_RNA) where: Base-Base interactions energy: -1281.175 where: short stacking energy: -574.563 Base-Backbone interact. energy: -0.822 local terms energy: -502.578435 where: bonds (distance) C4'-P energy: -92.478 bonds (distance) P-C4' energy: -94.442 flat angles C4'-P-C4' energy: -101.927 flat angles P-C4'-P energy: -60.021 tors. eta vs tors. theta energy: -153.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1812.132968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.132968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.132968 (E_RNA) where: Base-Base interactions energy: -1312.368 where: short stacking energy: -586.066 Base-Backbone interact. energy: -2.296 local terms energy: -497.469174 where: bonds (distance) C4'-P energy: -90.055 bonds (distance) P-C4' energy: -78.510 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -63.446 tors. eta vs tors. theta energy: -158.156 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: 440 Temperature: 1.150000 Total energy: -1702.735214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.735214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.735214 (E_RNA) where: Base-Base interactions energy: -1236.436 where: short stacking energy: -539.872 Base-Backbone interact. energy: -1.606 local terms energy: -464.693456 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -82.550 flat angles C4'-P-C4' energy: -98.356 flat angles P-C4'-P energy: -66.232 tors. eta vs tors. theta energy: -148.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1658.027838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.027838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.027838 (E_RNA) where: Base-Base interactions energy: -1175.684 where: short stacking energy: -514.468 Base-Backbone interact. energy: -1.313 local terms energy: -481.030558 where: bonds (distance) C4'-P energy: -79.942 bonds (distance) P-C4' energy: -85.539 flat angles C4'-P-C4' energy: -99.534 flat angles P-C4'-P energy: -66.654 tors. eta vs tors. theta energy: -149.363 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: 440 Temperature: 1.250000 Total energy: -1552.716279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.716279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.716279 (E_RNA) where: Base-Base interactions energy: -1119.579 where: short stacking energy: -518.654 Base-Backbone interact. energy: -1.279 local terms energy: -431.858048 where: bonds (distance) C4'-P energy: -56.158 bonds (distance) P-C4' energy: -86.677 flat angles C4'-P-C4' energy: -88.780 flat angles P-C4'-P energy: -57.139 tors. eta vs tors. theta energy: -143.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1522.239339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.239339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.239339 (E_RNA) where: Base-Base interactions energy: -1118.625 where: short stacking energy: -490.842 Base-Backbone interact. energy: -0.169 local terms energy: -403.444999 where: bonds (distance) C4'-P energy: -68.735 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -80.383 flat angles P-C4'-P energy: -53.707 tors. eta vs tors. theta energy: -125.821 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: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1276.115008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.115008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.115008 (E_RNA) where: Base-Base interactions energy: -895.602 where: short stacking energy: -437.903 Base-Backbone interact. energy: -0.384 local terms energy: -380.129371 where: bonds (distance) C4'-P energy: -85.968 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -80.514 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -98.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1968.612768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.612768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.612768 (E_RNA) where: Base-Base interactions energy: -1427.902 where: short stacking energy: -643.520 Base-Backbone interact. energy: -2.654 local terms energy: -538.056975 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -99.114 flat angles C4'-P-C4' energy: -111.387 flat angles P-C4'-P energy: -80.458 tors. eta vs tors. theta energy: -169.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1916.914868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.914868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.914868 (E_RNA) where: Base-Base interactions energy: -1394.238 where: short stacking energy: -637.014 Base-Backbone interact. energy: -1.235 local terms energy: -521.441426 where: bonds (distance) C4'-P energy: -86.129 bonds (distance) P-C4' energy: -78.900 flat angles C4'-P-C4' energy: -115.351 flat angles P-C4'-P energy: -76.268 tors. eta vs tors. theta energy: -164.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1819.382813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.382813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.382813 (E_RNA) where: Base-Base interactions energy: -1317.237 where: short stacking energy: -590.942 Base-Backbone interact. energy: -1.532 local terms energy: -500.613327 where: bonds (distance) C4'-P energy: -82.579 bonds (distance) P-C4' energy: -98.322 flat angles C4'-P-C4' energy: -99.238 flat angles P-C4'-P energy: -65.242 tors. eta vs tors. theta energy: -155.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1820.360631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.360631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.360631 (E_RNA) where: Base-Base interactions energy: -1295.109 where: short stacking energy: -566.722 Base-Backbone interact. energy: -1.172 local terms energy: -524.079471 where: bonds (distance) C4'-P energy: -89.868 bonds (distance) P-C4' energy: -91.403 flat angles C4'-P-C4' energy: -115.120 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -154.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1748.343108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.343108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.343108 (E_RNA) where: Base-Base interactions energy: -1270.705 where: short stacking energy: -572.668 Base-Backbone interact. energy: -0.856 local terms energy: -476.782972 where: bonds (distance) C4'-P energy: -87.689 bonds (distance) P-C4' energy: -76.337 flat angles C4'-P-C4' energy: -96.724 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -159.777 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: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1744.420331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.420331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.420331 (E_RNA) where: Base-Base interactions energy: -1245.037 where: short stacking energy: -551.733 Base-Backbone interact. energy: -2.066 local terms energy: -497.318029 where: bonds (distance) C4'-P energy: -78.115 bonds (distance) P-C4' energy: -87.229 flat angles C4'-P-C4' energy: -108.533 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -145.417 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: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1622.989202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.989202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.989202 (E_RNA) where: Base-Base interactions energy: -1183.589 where: short stacking energy: -535.923 Base-Backbone interact. energy: -0.419 local terms energy: -438.981395 where: bonds (distance) C4'-P energy: -68.973 bonds (distance) P-C4' energy: -72.867 flat angles C4'-P-C4' energy: -90.826 flat angles P-C4'-P energy: -54.791 tors. eta vs tors. theta energy: -151.524 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: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1600.854083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.854083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.854083 (E_RNA) where: Base-Base interactions energy: -1127.627 where: short stacking energy: -541.345 Base-Backbone interact. energy: 2.957 local terms energy: -476.184128 where: bonds (distance) C4'-P energy: -73.819 bonds (distance) P-C4' energy: -91.022 flat angles C4'-P-C4' energy: -109.472 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -140.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1532.532871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.532871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.532871 (E_RNA) where: Base-Base interactions energy: -1128.841 where: short stacking energy: -517.507 Base-Backbone interact. energy: -4.770 local terms energy: -398.922301 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -71.860 flat angles C4'-P-C4' energy: -94.714 flat angles P-C4'-P energy: -45.642 tors. eta vs tors. theta energy: -133.432 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: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1260.434922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.434922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.434922 (E_RNA) where: Base-Base interactions energy: -851.152 where: short stacking energy: -403.485 Base-Backbone interact. energy: -0.195 local terms energy: -409.087555 where: bonds (distance) C4'-P energy: -77.243 bonds (distance) P-C4' energy: -71.097 flat angles C4'-P-C4' energy: -98.437 flat angles P-C4'-P energy: -58.523 tors. eta vs tors. theta energy: -103.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1966.811880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.811880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.811880 (E_RNA) where: Base-Base interactions energy: -1424.295 where: short stacking energy: -629.765 Base-Backbone interact. energy: -0.916 local terms energy: -541.601539 where: bonds (distance) C4'-P energy: -96.303 bonds (distance) P-C4' energy: -92.517 flat angles C4'-P-C4' energy: -107.309 flat angles P-C4'-P energy: -78.283 tors. eta vs tors. theta energy: -167.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1934.499269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.499269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.499269 (E_RNA) where: Base-Base interactions energy: -1388.008 where: short stacking energy: -651.444 Base-Backbone interact. energy: -2.556 local terms energy: -543.934954 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -89.580 flat angles C4'-P-C4' energy: -116.935 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: -169.855 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: 3, replica: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1839.858963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.858963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.858963 (E_RNA) where: Base-Base interactions energy: -1305.763 where: short stacking energy: -575.410 Base-Backbone interact. energy: -1.203 local terms energy: -532.892574 where: bonds (distance) C4'-P energy: -96.460 bonds (distance) P-C4' energy: -90.283 flat angles C4'-P-C4' energy: -115.953 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -161.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1814.316646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.316646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.316646 (E_RNA) where: Base-Base interactions energy: -1327.485 where: short stacking energy: -602.802 Base-Backbone interact. energy: -1.155 local terms energy: -485.676819 where: bonds (distance) C4'-P energy: -69.169 bonds (distance) P-C4' energy: -84.678 flat angles C4'-P-C4' energy: -105.163 flat angles P-C4'-P energy: -71.048 tors. eta vs tors. theta energy: -155.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1698.524120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.524120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.524120 (E_RNA) where: Base-Base interactions energy: -1211.924 where: short stacking energy: -560.689 Base-Backbone interact. energy: -1.789 local terms energy: -484.810802 where: bonds (distance) C4'-P energy: -76.451 bonds (distance) P-C4' energy: -89.795 flat angles C4'-P-C4' energy: -101.102 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -149.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1729.669976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.669976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.669976 (E_RNA) where: Base-Base interactions energy: -1221.903 where: short stacking energy: -554.213 Base-Backbone interact. energy: 0.330 local terms energy: -508.096293 where: bonds (distance) C4'-P energy: -92.954 bonds (distance) P-C4' energy: -90.067 flat angles C4'-P-C4' energy: -103.987 flat angles P-C4'-P energy: -74.751 tors. eta vs tors. theta energy: -146.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1647.821624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.821624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.821624 (E_RNA) where: Base-Base interactions energy: -1163.381 where: short stacking energy: -518.689 Base-Backbone interact. energy: -2.205 local terms energy: -482.236168 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -90.107 flat angles C4'-P-C4' energy: -104.064 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -145.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1552.746484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.746484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.746484 (E_RNA) where: Base-Base interactions energy: -1132.422 where: short stacking energy: -540.198 Base-Backbone interact. energy: -0.107 local terms energy: -420.216900 where: bonds (distance) C4'-P energy: -58.067 bonds (distance) P-C4' energy: -62.632 flat angles C4'-P-C4' energy: -96.374 flat angles P-C4'-P energy: -69.395 tors. eta vs tors. theta energy: -133.750 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: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1522.893556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.893556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.893556 (E_RNA) where: Base-Base interactions energy: -1109.772 where: short stacking energy: -487.380 Base-Backbone interact. energy: -0.766 local terms energy: -412.355465 where: bonds (distance) C4'-P energy: -80.400 bonds (distance) P-C4' energy: -65.374 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: -126.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1264.306585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.306585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.306585 (E_RNA) where: Base-Base interactions energy: -889.940 where: short stacking energy: -397.164 Base-Backbone interact. energy: -0.952 local terms energy: -373.414575 where: bonds (distance) C4'-P energy: -70.293 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -82.864 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -106.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1985.059270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.059270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.059270 (E_RNA) where: Base-Base interactions energy: -1427.261 where: short stacking energy: -638.575 Base-Backbone interact. energy: -1.478 local terms energy: -556.320283 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -87.389 flat angles C4'-P-C4' energy: -114.849 flat angles P-C4'-P energy: -85.400 tors. eta vs tors. theta energy: -167.256 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: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1915.680285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.680285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.680285 (E_RNA) where: Base-Base interactions energy: -1386.682 where: short stacking energy: -630.790 Base-Backbone interact. energy: -0.750 local terms energy: -528.247961 where: bonds (distance) C4'-P energy: -88.058 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -108.977 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -171.968 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: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1839.427310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.427310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.427310 (E_RNA) where: Base-Base interactions energy: -1328.338 where: short stacking energy: -611.998 Base-Backbone interact. energy: -0.412 local terms energy: -510.676828 where: bonds (distance) C4'-P energy: -99.173 bonds (distance) P-C4' energy: -74.482 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -63.265 tors. eta vs tors. theta energy: -165.839 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: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1807.881323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.881323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.881323 (E_RNA) where: Base-Base interactions energy: -1309.923 where: short stacking energy: -591.473 Base-Backbone interact. energy: -0.702 local terms energy: -497.256753 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -86.159 flat angles C4'-P-C4' energy: -111.682 flat angles P-C4'-P energy: -65.143 tors. eta vs tors. theta energy: -154.864 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: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1687.466780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.466780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.466780 (E_RNA) where: Base-Base interactions energy: -1218.099 where: short stacking energy: -572.726 Base-Backbone interact. energy: -1.741 local terms energy: -467.627395 where: bonds (distance) C4'-P energy: -85.864 bonds (distance) P-C4' energy: -77.435 flat angles C4'-P-C4' energy: -105.453 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -144.925 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: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1644.939235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.939235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.939235 (E_RNA) where: Base-Base interactions energy: -1198.674 where: short stacking energy: -525.355 Base-Backbone interact. energy: -2.296 local terms energy: -443.968942 where: bonds (distance) C4'-P energy: -76.408 bonds (distance) P-C4' energy: -71.695 flat angles C4'-P-C4' energy: -100.251 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -145.177 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: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1672.725600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.725600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.725600 (E_RNA) where: Base-Base interactions energy: -1202.833 where: short stacking energy: -548.197 Base-Backbone interact. energy: -1.492 local terms energy: -468.399875 where: bonds (distance) C4'-P energy: -76.580 bonds (distance) P-C4' energy: -83.645 flat angles C4'-P-C4' energy: -99.912 flat angles P-C4'-P energy: -63.612 tors. eta vs tors. theta energy: -144.652 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: 8, replica: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1540.239565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.239565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.239565 (E_RNA) where: Base-Base interactions energy: -1089.422 where: short stacking energy: -512.580 Base-Backbone interact. energy: -0.851 local terms energy: -449.966399 where: bonds (distance) C4'-P energy: -76.193 bonds (distance) P-C4' energy: -67.421 flat angles C4'-P-C4' energy: -100.705 flat angles P-C4'-P energy: -71.614 tors. eta vs tors. theta energy: -134.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1538.706397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.706397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.706397 (E_RNA) where: Base-Base interactions energy: -1091.228 where: short stacking energy: -500.598 Base-Backbone interact. energy: 3.374 local terms energy: -450.852912 where: bonds (distance) C4'-P energy: -72.539 bonds (distance) P-C4' energy: -86.337 flat angles C4'-P-C4' energy: -96.453 flat angles P-C4'-P energy: -63.837 tors. eta vs tors. theta energy: -131.687 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: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1262.842335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.842335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.842335 (E_RNA) where: Base-Base interactions energy: -876.462 where: short stacking energy: -403.349 Base-Backbone interact. energy: -1.301 local terms energy: -385.079486 where: bonds (distance) C4'-P energy: -65.385 bonds (distance) P-C4' energy: -74.638 flat angles C4'-P-C4' energy: -96.347 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -91.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1933.261374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.261374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.261374 (E_RNA) where: Base-Base interactions energy: -1370.684 where: short stacking energy: -619.530 Base-Backbone interact. energy: -1.580 local terms energy: -560.998017 where: bonds (distance) C4'-P energy: -99.958 bonds (distance) P-C4' energy: -105.754 flat angles C4'-P-C4' energy: -121.198 flat angles P-C4'-P energy: -65.846 tors. eta vs tors. theta energy: -168.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1928.751657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.751657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.751657 (E_RNA) where: Base-Base interactions energy: -1397.435 where: short stacking energy: -627.003 Base-Backbone interact. energy: -0.080 local terms energy: -531.237017 where: bonds (distance) C4'-P energy: -94.482 bonds (distance) P-C4' energy: -71.234 flat angles C4'-P-C4' energy: -109.087 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -170.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1856.279684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.279684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.279684 (E_RNA) where: Base-Base interactions energy: -1356.293 where: short stacking energy: -595.986 Base-Backbone interact. energy: 2.324 local terms energy: -502.310607 where: bonds (distance) C4'-P energy: -88.700 bonds (distance) P-C4' energy: -93.823 flat angles C4'-P-C4' energy: -105.015 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -155.543 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: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1814.666059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.666059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.666059 (E_RNA) where: Base-Base interactions energy: -1289.156 where: short stacking energy: -598.093 Base-Backbone interact. energy: -4.958 local terms energy: -520.551202 where: bonds (distance) C4'-P energy: -81.649 bonds (distance) P-C4' energy: -92.636 flat angles C4'-P-C4' energy: -107.458 flat angles P-C4'-P energy: -79.827 tors. eta vs tors. theta energy: -158.981 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: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1699.441357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.441357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.441357 (E_RNA) where: Base-Base interactions energy: -1226.274 where: short stacking energy: -560.836 Base-Backbone interact. energy: -1.606 local terms energy: -471.560919 where: bonds (distance) C4'-P energy: -82.250 bonds (distance) P-C4' energy: -71.116 flat angles C4'-P-C4' energy: -103.845 flat angles P-C4'-P energy: -56.758 tors. eta vs tors. theta energy: -157.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1667.496790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.496790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.496790 (E_RNA) where: Base-Base interactions energy: -1195.251 where: short stacking energy: -539.576 Base-Backbone interact. energy: -1.221 local terms energy: -471.025213 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -78.202 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -65.111 tors. eta vs tors. theta energy: -144.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1677.447042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.447042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.447042 (E_RNA) where: Base-Base interactions energy: -1217.371 where: short stacking energy: -520.880 Base-Backbone interact. energy: -0.817 local terms energy: -459.259332 where: bonds (distance) C4'-P energy: -72.455 bonds (distance) P-C4' energy: -83.376 flat angles C4'-P-C4' energy: -105.075 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -137.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1556.620974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.620974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.620974 (E_RNA) where: Base-Base interactions energy: -1139.560 where: short stacking energy: -517.622 Base-Backbone interact. energy: -2.484 local terms energy: -414.576491 where: bonds (distance) C4'-P energy: -76.699 bonds (distance) P-C4' energy: -76.173 flat angles C4'-P-C4' energy: -79.538 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -135.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1510.565480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.565480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.565480 (E_RNA) where: Base-Base interactions energy: -1070.255 where: short stacking energy: -480.628 Base-Backbone interact. energy: -2.603 local terms energy: -437.707489 where: bonds (distance) C4'-P energy: -80.288 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -103.454 flat angles P-C4'-P energy: -63.510 tors. eta vs tors. theta energy: -124.317 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: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1284.231055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.231055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.231055 (E_RNA) where: Base-Base interactions energy: -874.136 where: short stacking energy: -420.967 Base-Backbone interact. energy: -0.041 local terms energy: -410.053311 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -85.767 flat angles C4'-P-C4' energy: -91.121 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -108.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1942.112584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.112584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.112584 (E_RNA) where: Base-Base interactions energy: -1380.055 where: short stacking energy: -626.226 Base-Backbone interact. energy: -1.921 local terms energy: -560.136678 where: bonds (distance) C4'-P energy: -99.830 bonds (distance) P-C4' energy: -101.242 flat angles C4'-P-C4' energy: -110.806 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -171.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1924.719711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.719711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.719711 (E_RNA) where: Base-Base interactions energy: -1424.063 where: short stacking energy: -626.181 Base-Backbone interact. energy: -1.598 local terms energy: -499.058380 where: bonds (distance) C4'-P energy: -92.346 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -65.799 tors. eta vs tors. theta energy: -163.789 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: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1853.646569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.646569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.646569 (E_RNA) where: Base-Base interactions energy: -1325.501 where: short stacking energy: -609.735 Base-Backbone interact. energy: -1.678 local terms energy: -526.467516 where: bonds (distance) C4'-P energy: -90.664 bonds (distance) P-C4' energy: -95.390 flat angles C4'-P-C4' energy: -108.218 flat angles P-C4'-P energy: -72.705 tors. eta vs tors. theta energy: -159.491 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: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1765.352876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.352876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.352876 (E_RNA) where: Base-Base interactions energy: -1294.978 where: short stacking energy: -590.382 Base-Backbone interact. energy: -1.281 local terms energy: -469.093493 where: bonds (distance) C4'-P energy: -80.357 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -109.145 flat angles P-C4'-P energy: -68.713 tors. eta vs tors. theta energy: -144.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1704.911695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.911695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.911695 (E_RNA) where: Base-Base interactions energy: -1208.910 where: short stacking energy: -533.298 Base-Backbone interact. energy: -3.085 local terms energy: -492.916240 where: bonds (distance) C4'-P energy: -90.512 bonds (distance) P-C4' energy: -90.449 flat angles C4'-P-C4' energy: -102.212 flat angles P-C4'-P energy: -69.836 tors. eta vs tors. theta energy: -139.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1699.509318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.509318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.509318 (E_RNA) where: Base-Base interactions energy: -1240.841 where: short stacking energy: -554.110 Base-Backbone interact. energy: -2.220 local terms energy: -456.448123 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -70.256 flat angles C4'-P-C4' energy: -103.860 flat angles P-C4'-P energy: -64.780 tors. eta vs tors. theta energy: -142.595 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: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1635.434967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.434967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.434967 (E_RNA) where: Base-Base interactions energy: -1153.992 where: short stacking energy: -513.539 Base-Backbone interact. energy: -0.641 local terms energy: -480.801580 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -78.979 flat angles C4'-P-C4' energy: -103.526 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: -148.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1611.496065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.496065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.496065 (E_RNA) where: Base-Base interactions energy: -1146.993 where: short stacking energy: -511.116 Base-Backbone interact. energy: -0.644 local terms energy: -463.859240 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -88.311 flat angles C4'-P-C4' energy: -95.168 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -144.962 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: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1526.580769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.580769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.580769 (E_RNA) where: Base-Base interactions energy: -1089.321 where: short stacking energy: -525.948 Base-Backbone interact. energy: -2.307 local terms energy: -434.952873 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -67.032 flat angles C4'-P-C4' energy: -101.674 flat angles P-C4'-P energy: -44.746 tors. eta vs tors. theta energy: -136.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1265.124639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.124639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.124639 (E_RNA) where: Base-Base interactions energy: -906.448 where: short stacking energy: -403.534 Base-Backbone interact. energy: -0.238 local terms energy: -358.438125 where: bonds (distance) C4'-P energy: -58.639 bonds (distance) P-C4' energy: -75.979 flat angles C4'-P-C4' energy: -83.884 flat angles P-C4'-P energy: -38.200 tors. eta vs tors. theta energy: -101.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1965.467015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.467015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.467015 (E_RNA) where: Base-Base interactions energy: -1397.305 where: short stacking energy: -638.096 Base-Backbone interact. energy: -0.661 local terms energy: -567.501125 where: bonds (distance) C4'-P energy: -101.940 bonds (distance) P-C4' energy: -92.038 flat angles C4'-P-C4' energy: -112.708 flat angles P-C4'-P energy: -89.284 tors. eta vs tors. theta energy: -171.532 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: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1921.945315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.945315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.945315 (E_RNA) where: Base-Base interactions energy: -1397.824 where: short stacking energy: -635.542 Base-Backbone interact. energy: -0.627 local terms energy: -523.493708 where: bonds (distance) C4'-P energy: -91.044 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -109.104 flat angles P-C4'-P energy: -72.047 tors. eta vs tors. theta energy: -162.465 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1868.291326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.291326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.291326 (E_RNA) where: Base-Base interactions energy: -1342.877 where: short stacking energy: -600.308 Base-Backbone interact. energy: -0.588 local terms energy: -524.826561 where: bonds (distance) C4'-P energy: -85.295 bonds (distance) P-C4' energy: -100.767 flat angles C4'-P-C4' energy: -107.427 flat angles P-C4'-P energy: -72.330 tors. eta vs tors. theta energy: -159.007 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: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1801.769775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.769775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.769775 (E_RNA) where: Base-Base interactions energy: -1300.422 where: short stacking energy: -580.527 Base-Backbone interact. energy: -0.559 local terms energy: -500.788396 where: bonds (distance) C4'-P energy: -88.651 bonds (distance) P-C4' energy: -86.210 flat angles C4'-P-C4' energy: -103.621 flat angles P-C4'-P energy: -64.922 tors. eta vs tors. theta energy: -157.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1699.809933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.809933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.809933 (E_RNA) where: Base-Base interactions energy: -1206.718 where: short stacking energy: -542.309 Base-Backbone interact. energy: -0.364 local terms energy: -492.727490 where: bonds (distance) C4'-P energy: -98.182 bonds (distance) P-C4' energy: -85.856 flat angles C4'-P-C4' energy: -102.865 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -149.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1662.233550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.233550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.233550 (E_RNA) where: Base-Base interactions energy: -1190.608 where: short stacking energy: -549.852 Base-Backbone interact. energy: -1.562 local terms energy: -470.064241 where: bonds (distance) C4'-P energy: -72.744 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -105.535 flat angles P-C4'-P energy: -68.992 tors. eta vs tors. theta energy: -143.105 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: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1669.489679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.489679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.489679 (E_RNA) where: Base-Base interactions energy: -1203.667 where: short stacking energy: -528.296 Base-Backbone interact. energy: -1.591 local terms energy: -464.231993 where: bonds (distance) C4'-P energy: -84.926 bonds (distance) P-C4' energy: -86.232 flat angles C4'-P-C4' energy: -91.450 flat angles P-C4'-P energy: -64.132 tors. eta vs tors. theta energy: -137.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1589.060784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.060784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.060784 (E_RNA) where: Base-Base interactions energy: -1155.862 where: short stacking energy: -510.409 Base-Backbone interact. energy: 0.619 local terms energy: -433.817865 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -66.359 flat angles C4'-P-C4' energy: -102.258 flat angles P-C4'-P energy: -51.369 tors. eta vs tors. theta energy: -146.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1468.951227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.951227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.951227 (E_RNA) where: Base-Base interactions energy: -1047.341 where: short stacking energy: -500.978 Base-Backbone interact. energy: 0.370 local terms energy: -421.980401 where: bonds (distance) C4'-P energy: -75.864 bonds (distance) P-C4' energy: -77.832 flat angles C4'-P-C4' energy: -80.501 flat angles P-C4'-P energy: -55.612 tors. eta vs tors. theta energy: -132.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1341.375344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.375344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.375344 (E_RNA) where: Base-Base interactions energy: -963.090 where: short stacking energy: -435.034 Base-Backbone interact. energy: -1.895 local terms energy: -376.390290 where: bonds (distance) C4'-P energy: -61.304 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -94.116 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -114.297 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: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1985.022411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.022411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.022411 (E_RNA) where: Base-Base interactions energy: -1439.862 where: short stacking energy: -665.139 Base-Backbone interact. energy: -1.331 local terms energy: -543.828715 where: bonds (distance) C4'-P energy: -99.199 bonds (distance) P-C4' energy: -82.150 flat angles C4'-P-C4' energy: -110.484 flat angles P-C4'-P energy: -77.380 tors. eta vs tors. theta energy: -174.616 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: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1920.035406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.035406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.035406 (E_RNA) where: Base-Base interactions energy: -1372.932 where: short stacking energy: -630.978 Base-Backbone interact. energy: -0.126 local terms energy: -546.977423 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -116.748 flat angles P-C4'-P energy: -85.863 tors. eta vs tors. theta energy: -169.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1842.024750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.024750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.024750 (E_RNA) where: Base-Base interactions energy: -1318.968 where: short stacking energy: -593.761 Base-Backbone interact. energy: -2.224 local terms energy: -520.831857 where: bonds (distance) C4'-P energy: -87.870 bonds (distance) P-C4' energy: -104.034 flat angles C4'-P-C4' energy: -110.239 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -163.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1783.280119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.280119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.280119 (E_RNA) where: Base-Base interactions energy: -1279.119 where: short stacking energy: -565.841 Base-Backbone interact. energy: -1.897 local terms energy: -502.264560 where: bonds (distance) C4'-P energy: -85.995 bonds (distance) P-C4' energy: -89.556 flat angles C4'-P-C4' energy: -104.268 flat angles P-C4'-P energy: -67.588 tors. eta vs tors. theta energy: -154.857 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: 447 Temperature: 1.100000 Total energy: -1731.412422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.412422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.412422 (E_RNA) where: Base-Base interactions energy: -1258.022 where: short stacking energy: -573.472 Base-Backbone interact. energy: -1.731 local terms energy: -471.658854 where: bonds (distance) C4'-P energy: -76.081 bonds (distance) P-C4' energy: -75.924 flat angles C4'-P-C4' energy: -99.227 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -142.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1664.753549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.753549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.753549 (E_RNA) where: Base-Base interactions energy: -1183.686 where: short stacking energy: -545.772 Base-Backbone interact. energy: -0.956 local terms energy: -480.110982 where: bonds (distance) C4'-P energy: -82.029 bonds (distance) P-C4' energy: -88.428 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -67.410 tors. eta vs tors. theta energy: -147.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1670.740017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.740017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.740017 (E_RNA) where: Base-Base interactions energy: -1218.073 where: short stacking energy: -568.324 Base-Backbone interact. energy: -1.447 local terms energy: -451.219574 where: bonds (distance) C4'-P energy: -65.315 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -96.184 flat angles P-C4'-P energy: -76.697 tors. eta vs tors. theta energy: -144.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1517.316375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.316375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.316375 (E_RNA) where: Base-Base interactions energy: -1055.850 where: short stacking energy: -514.288 Base-Backbone interact. energy: -0.702 local terms energy: -460.764335 where: bonds (distance) C4'-P energy: -88.508 bonds (distance) P-C4' energy: -81.098 flat angles C4'-P-C4' energy: -95.291 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -143.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1492.761110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.761110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.761110 (E_RNA) where: Base-Base interactions energy: -1072.292 where: short stacking energy: -465.177 Base-Backbone interact. energy: 1.591 local terms energy: -422.060764 where: bonds (distance) C4'-P energy: -76.327 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -130.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1385.621085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.621085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.621085 (E_RNA) where: Base-Base interactions energy: -979.849 where: short stacking energy: -445.056 Base-Backbone interact. energy: 1.617 local terms energy: -407.389343 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -61.025 flat angles C4'-P-C4' energy: -87.613 flat angles P-C4'-P energy: -50.299 tors. eta vs tors. theta energy: -121.354 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: 448 Temperature: 0.900000 Total energy: -1939.838406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.838406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.838406 (E_RNA) where: Base-Base interactions energy: -1363.763 where: short stacking energy: -615.883 Base-Backbone interact. energy: -2.898 local terms energy: -573.177228 where: bonds (distance) C4'-P energy: -102.705 bonds (distance) P-C4' energy: -103.462 flat angles C4'-P-C4' energy: -116.924 flat angles P-C4'-P energy: -80.395 tors. eta vs tors. theta energy: -169.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1942.409676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.409676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.409676 (E_RNA) where: Base-Base interactions energy: -1402.930 where: short stacking energy: -629.105 Base-Backbone interact. energy: -0.805 local terms energy: -538.674544 where: bonds (distance) C4'-P energy: -93.529 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -108.666 flat angles P-C4'-P energy: -68.484 tors. eta vs tors. theta energy: -169.282 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: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1851.711276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.711276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.711276 (E_RNA) where: Base-Base interactions energy: -1327.638 where: short stacking energy: -603.257 Base-Backbone interact. energy: -2.598 local terms energy: -521.475042 where: bonds (distance) C4'-P energy: -93.606 bonds (distance) P-C4' energy: -93.332 flat angles C4'-P-C4' energy: -102.162 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -160.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1788.630456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.630456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.630456 (E_RNA) where: Base-Base interactions energy: -1276.836 where: short stacking energy: -590.284 Base-Backbone interact. energy: 1.566 local terms energy: -513.360429 where: bonds (distance) C4'-P energy: -97.960 bonds (distance) P-C4' energy: -81.177 flat angles C4'-P-C4' energy: -112.048 flat angles P-C4'-P energy: -58.508 tors. eta vs tors. theta energy: -163.668 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: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1720.058914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.058914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.058914 (E_RNA) where: Base-Base interactions energy: -1240.992 where: short stacking energy: -533.721 Base-Backbone interact. energy: -0.413 local terms energy: -478.653901 where: bonds (distance) C4'-P energy: -87.848 bonds (distance) P-C4' energy: -77.961 flat angles C4'-P-C4' energy: -100.617 flat angles P-C4'-P energy: -64.048 tors. eta vs tors. theta energy: -148.180 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: 448 Temperature: 1.150000 Total energy: -1660.261733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.261733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.261733 (E_RNA) where: Base-Base interactions energy: -1178.272 where: short stacking energy: -558.192 Base-Backbone interact. energy: -2.361 local terms energy: -479.629081 where: bonds (distance) C4'-P energy: -79.535 bonds (distance) P-C4' energy: -70.645 flat angles C4'-P-C4' energy: -101.547 flat angles P-C4'-P energy: -73.580 tors. eta vs tors. theta energy: -154.323 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: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1666.971164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.971164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.971164 (E_RNA) where: Base-Base interactions energy: -1202.244 where: short stacking energy: -533.544 Base-Backbone interact. energy: -0.770 local terms energy: -463.957503 where: bonds (distance) C4'-P energy: -70.610 bonds (distance) P-C4' energy: -89.117 flat angles C4'-P-C4' energy: -98.097 flat angles P-C4'-P energy: -58.064 tors. eta vs tors. theta energy: -148.070 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: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1516.676353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.676353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.676353 (E_RNA) where: Base-Base interactions energy: -1087.800 where: short stacking energy: -510.046 Base-Backbone interact. energy: -0.879 local terms energy: -427.997773 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -66.469 flat angles C4'-P-C4' energy: -92.884 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -131.148 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: 448 Temperature: 1.300000 Total energy: -1402.115384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.115384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.115384 (E_RNA) where: Base-Base interactions energy: -1012.097 where: short stacking energy: -468.901 Base-Backbone interact. energy: -1.239 local terms energy: -388.779685 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -75.224 flat angles C4'-P-C4' energy: -87.594 flat angles P-C4'-P energy: -38.093 tors. eta vs tors. theta energy: -114.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1437.325222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.325222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.325222 (E_RNA) where: Base-Base interactions energy: -1059.396 where: short stacking energy: -480.092 Base-Backbone interact. energy: -2.391 local terms energy: -375.538129 where: bonds (distance) C4'-P energy: -64.291 bonds (distance) P-C4' energy: -51.022 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -40.549 tors. eta vs tors. theta energy: -129.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1937.841365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.841365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.841365 (E_RNA) where: Base-Base interactions energy: -1392.768 where: short stacking energy: -628.538 Base-Backbone interact. energy: -0.443 local terms energy: -544.629912 where: bonds (distance) C4'-P energy: -91.816 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -110.062 flat angles P-C4'-P energy: -85.386 tors. eta vs tors. theta energy: -168.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1945.074161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.074161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.074161 (E_RNA) where: Base-Base interactions energy: -1401.566 where: short stacking energy: -632.810 Base-Backbone interact. energy: -2.566 local terms energy: -540.942490 where: bonds (distance) C4'-P energy: -94.495 bonds (distance) P-C4' energy: -96.327 flat angles C4'-P-C4' energy: -106.047 flat angles P-C4'-P energy: -78.824 tors. eta vs tors. theta energy: -165.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1847.484581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.484581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.484581 (E_RNA) where: Base-Base interactions energy: -1324.203 where: short stacking energy: -602.074 Base-Backbone interact. energy: -1.369 local terms energy: -521.911932 where: bonds (distance) C4'-P energy: -99.288 bonds (distance) P-C4' energy: -80.661 flat angles C4'-P-C4' energy: -111.514 flat angles P-C4'-P energy: -70.447 tors. eta vs tors. theta energy: -160.002 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: 449 Temperature: 1.050000 Total energy: -1809.161764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.161764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.161764 (E_RNA) where: Base-Base interactions energy: -1299.099 where: short stacking energy: -602.443 Base-Backbone interact. energy: -0.959 local terms energy: -509.104372 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -105.926 flat angles P-C4'-P energy: -81.936 tors. eta vs tors. theta energy: -158.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1740.359196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.359196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.359196 (E_RNA) where: Base-Base interactions energy: -1245.603 where: short stacking energy: -561.063 Base-Backbone interact. energy: -1.049 local terms energy: -493.706544 where: bonds (distance) C4'-P energy: -83.572 bonds (distance) P-C4' energy: -89.221 flat angles C4'-P-C4' energy: -106.282 flat angles P-C4'-P energy: -58.726 tors. eta vs tors. theta energy: -155.906 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: 449 Temperature: 1.150000 Total energy: -1706.240892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.240892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.240892 (E_RNA) where: Base-Base interactions energy: -1205.198 where: short stacking energy: -575.855 Base-Backbone interact. energy: -2.237 local terms energy: -498.805757 where: bonds (distance) C4'-P energy: -79.763 bonds (distance) P-C4' energy: -87.799 flat angles C4'-P-C4' energy: -107.844 flat angles P-C4'-P energy: -67.070 tors. eta vs tors. theta energy: -156.329 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: 7, replica: 8 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1647.288322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.288322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.288322 (E_RNA) where: Base-Base interactions energy: -1186.490 where: short stacking energy: -550.048 Base-Backbone interact. energy: -1.423 local terms energy: -459.374598 where: bonds (distance) C4'-P energy: -69.248 bonds (distance) P-C4' energy: -84.612 flat angles C4'-P-C4' energy: -97.837 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -152.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1540.455879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.455879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.455879 (E_RNA) where: Base-Base interactions energy: -1083.014 where: short stacking energy: -506.834 Base-Backbone interact. energy: -1.383 local terms energy: -456.058831 where: bonds (distance) C4'-P energy: -80.794 bonds (distance) P-C4' energy: -87.445 flat angles C4'-P-C4' energy: -86.714 flat angles P-C4'-P energy: -65.829 tors. eta vs tors. theta energy: -135.277 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: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1418.382428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.382428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.382428 (E_RNA) where: Base-Base interactions energy: -995.474 where: short stacking energy: -465.695 Base-Backbone interact. energy: 1.144 local terms energy: -424.052139 where: bonds (distance) C4'-P energy: -71.511 bonds (distance) P-C4' energy: -90.339 flat angles C4'-P-C4' energy: -88.375 flat angles P-C4'-P energy: -60.293 tors. eta vs tors. theta energy: -113.534 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: 449 Temperature: 1.350000 Total energy: -1346.332881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.332881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.332881 (E_RNA) where: Base-Base interactions energy: -975.790 where: short stacking energy: -419.574 Base-Backbone interact. energy: -1.195 local terms energy: -369.348040 where: bonds (distance) C4'-P energy: -45.302 bonds (distance) P-C4' energy: -72.480 flat angles C4'-P-C4' energy: -89.047 flat angles P-C4'-P energy: -51.842 tors. eta vs tors. theta energy: -110.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1955.179830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.179830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.179830 (E_RNA) where: Base-Base interactions energy: -1418.465 where: short stacking energy: -634.650 Base-Backbone interact. energy: 1.073 local terms energy: -537.788436 where: bonds (distance) C4'-P energy: -100.445 bonds (distance) P-C4' energy: -81.920 flat angles C4'-P-C4' energy: -111.207 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -165.964 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: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1881.405727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.405727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.405727 (E_RNA) where: Base-Base interactions energy: -1340.608 where: short stacking energy: -614.129 Base-Backbone interact. energy: -1.598 local terms energy: -539.199351 where: bonds (distance) C4'-P energy: -106.205 bonds (distance) P-C4' energy: -76.532 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -76.795 tors. eta vs tors. theta energy: -160.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1819.595903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.595903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.595903 (E_RNA) where: Base-Base interactions energy: -1308.664 where: short stacking energy: -587.479 Base-Backbone interact. energy: -1.534 local terms energy: -509.398066 where: bonds (distance) C4'-P energy: -95.514 bonds (distance) P-C4' energy: -86.937 flat angles C4'-P-C4' energy: -104.498 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -156.422 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: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1799.760525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.760525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.760525 (E_RNA) where: Base-Base interactions energy: -1297.713 where: short stacking energy: -587.669 Base-Backbone interact. energy: -1.737 local terms energy: -500.309765 where: bonds (distance) C4'-P energy: -81.623 bonds (distance) P-C4' energy: -82.144 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -156.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1727.348118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.348118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.348118 (E_RNA) where: Base-Base interactions energy: -1263.302 where: short stacking energy: -556.061 Base-Backbone interact. energy: 3.861 local terms energy: -467.907970 where: bonds (distance) C4'-P energy: -68.524 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -106.837 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -148.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1690.383051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.383051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.383051 (E_RNA) where: Base-Base interactions energy: -1195.727 where: short stacking energy: -541.188 Base-Backbone interact. energy: -2.123 local terms energy: -492.532640 where: bonds (distance) C4'-P energy: -94.245 bonds (distance) P-C4' energy: -87.772 flat angles C4'-P-C4' energy: -105.378 flat angles P-C4'-P energy: -58.949 tors. eta vs tors. theta energy: -146.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1632.447165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.447165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.447165 (E_RNA) where: Base-Base interactions energy: -1190.463 where: short stacking energy: -537.247 Base-Backbone interact. energy: 0.260 local terms energy: -442.244733 where: bonds (distance) C4'-P energy: -84.117 bonds (distance) P-C4' energy: -70.149 flat angles C4'-P-C4' energy: -80.349 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -144.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1525.901796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.901796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.901796 (E_RNA) where: Base-Base interactions energy: -1106.463 where: short stacking energy: -533.278 Base-Backbone interact. energy: 1.330 local terms energy: -420.768790 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -74.834 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: -143.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1394.058615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.058615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.058615 (E_RNA) where: Base-Base interactions energy: -989.141 where: short stacking energy: -468.339 Base-Backbone interact. energy: -0.258 local terms energy: -404.660109 where: bonds (distance) C4'-P energy: -66.990 bonds (distance) P-C4' energy: -81.715 flat angles C4'-P-C4' energy: -82.504 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -118.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1329.088378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.088378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.088378 (E_RNA) where: Base-Base interactions energy: -913.600 where: short stacking energy: -410.231 Base-Backbone interact. energy: -1.009 local terms energy: -414.478550 where: bonds (distance) C4'-P energy: -76.591 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -95.318 flat angles P-C4'-P energy: -54.915 tors. eta vs tors. theta energy: -100.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1962.052886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.052886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.052886 (E_RNA) where: Base-Base interactions energy: -1395.432 where: short stacking energy: -638.809 Base-Backbone interact. energy: -0.826 local terms energy: -565.794372 where: bonds (distance) C4'-P energy: -99.959 bonds (distance) P-C4' energy: -101.150 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -169.595 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: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1893.085134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.085134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.085134 (E_RNA) where: Base-Base interactions energy: -1363.013 where: short stacking energy: -615.078 Base-Backbone interact. energy: -2.841 local terms energy: -527.230717 where: bonds (distance) C4'-P energy: -98.822 bonds (distance) P-C4' energy: -79.955 flat angles C4'-P-C4' energy: -108.192 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -166.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1835.036424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.036424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.036424 (E_RNA) where: Base-Base interactions energy: -1320.607 where: short stacking energy: -585.975 Base-Backbone interact. energy: -2.308 local terms energy: -512.121179 where: bonds (distance) C4'-P energy: -84.406 bonds (distance) P-C4' energy: -85.468 flat angles C4'-P-C4' energy: -105.772 flat angles P-C4'-P energy: -74.963 tors. eta vs tors. theta energy: -161.512 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: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1781.816242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.816242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.816242 (E_RNA) where: Base-Base interactions energy: -1278.367 where: short stacking energy: -562.328 Base-Backbone interact. energy: -1.164 local terms energy: -502.285177 where: bonds (distance) C4'-P energy: -69.022 bonds (distance) P-C4' energy: -95.460 flat angles C4'-P-C4' energy: -105.617 flat angles P-C4'-P energy: -80.939 tors. eta vs tors. theta energy: -151.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1746.949945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.949945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.949945 (E_RNA) where: Base-Base interactions energy: -1257.080 where: short stacking energy: -569.335 Base-Backbone interact. energy: 3.470 local terms energy: -493.340278 where: bonds (distance) C4'-P energy: -94.496 bonds (distance) P-C4' energy: -86.317 flat angles C4'-P-C4' energy: -102.781 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -145.671 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: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1685.401980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.401980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.401980 (E_RNA) where: Base-Base interactions energy: -1202.397 where: short stacking energy: -545.896 Base-Backbone interact. energy: -2.173 local terms energy: -480.832203 where: bonds (distance) C4'-P energy: -85.884 bonds (distance) P-C4' energy: -74.375 flat angles C4'-P-C4' energy: -98.299 flat angles P-C4'-P energy: -71.447 tors. eta vs tors. theta energy: -150.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1651.148446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.148446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.148446 (E_RNA) where: Base-Base interactions energy: -1183.882 where: short stacking energy: -523.701 Base-Backbone interact. energy: -3.620 local terms energy: -463.646802 where: bonds (distance) C4'-P energy: -77.742 bonds (distance) P-C4' energy: -84.202 flat angles C4'-P-C4' energy: -97.005 flat angles P-C4'-P energy: -61.133 tors. eta vs tors. theta energy: -143.565 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: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1520.263714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.263714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.263714 (E_RNA) where: Base-Base interactions energy: -1073.451 where: short stacking energy: -510.844 Base-Backbone interact. energy: -0.275 local terms energy: -446.537759 where: bonds (distance) C4'-P energy: -89.618 bonds (distance) P-C4' energy: -73.891 flat angles C4'-P-C4' energy: -90.528 flat angles P-C4'-P energy: -52.729 tors. eta vs tors. theta energy: -139.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1405.149735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.149735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.149735 (E_RNA) where: Base-Base interactions energy: -991.071 where: short stacking energy: -452.536 Base-Backbone interact. energy: -0.931 local terms energy: -413.147152 where: bonds (distance) C4'-P energy: -76.047 bonds (distance) P-C4' energy: -75.597 flat angles C4'-P-C4' energy: -92.442 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -115.356 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: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1376.926206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.926206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.926206 (E_RNA) where: Base-Base interactions energy: -970.431 where: short stacking energy: -428.410 Base-Backbone interact. energy: -2.613 local terms energy: -403.882252 where: bonds (distance) C4'-P energy: -77.771 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -83.595 flat angles P-C4'-P energy: -57.604 tors. eta vs tors. theta energy: -121.866 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: 452 Temperature: 0.900000 Total energy: -1976.416538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.416538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.416538 (E_RNA) where: Base-Base interactions energy: -1421.878 where: short stacking energy: -650.007 Base-Backbone interact. energy: 0.313 local terms energy: -554.851193 where: bonds (distance) C4'-P energy: -98.473 bonds (distance) P-C4' energy: -92.791 flat angles C4'-P-C4' energy: -111.223 flat angles P-C4'-P energy: -82.237 tors. eta vs tors. theta energy: -170.128 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: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1916.822125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.822125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.822125 (E_RNA) where: Base-Base interactions energy: -1357.651 where: short stacking energy: -631.903 Base-Backbone interact. energy: -4.377 local terms energy: -554.793911 where: bonds (distance) C4'-P energy: -94.828 bonds (distance) P-C4' energy: -102.751 flat angles C4'-P-C4' energy: -113.923 flat angles P-C4'-P energy: -76.906 tors. eta vs tors. theta energy: -166.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1855.191175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.191175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.191175 (E_RNA) where: Base-Base interactions energy: -1323.463 where: short stacking energy: -594.618 Base-Backbone interact. energy: -1.995 local terms energy: -529.733519 where: bonds (distance) C4'-P energy: -89.631 bonds (distance) P-C4' energy: -102.125 flat angles C4'-P-C4' energy: -111.871 flat angles P-C4'-P energy: -69.183 tors. eta vs tors. theta energy: -156.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1761.722961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.722961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.722961 (E_RNA) where: Base-Base interactions energy: -1274.532 where: short stacking energy: -567.571 Base-Backbone interact. energy: -3.339 local terms energy: -483.852210 where: bonds (distance) C4'-P energy: -81.782 bonds (distance) P-C4' energy: -83.416 flat angles C4'-P-C4' energy: -102.429 flat angles P-C4'-P energy: -63.863 tors. eta vs tors. theta energy: -152.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1755.282223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.282223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.282223 (E_RNA) where: Base-Base interactions energy: -1242.765 where: short stacking energy: -554.254 Base-Backbone interact. energy: -0.986 local terms energy: -511.530604 where: bonds (distance) C4'-P energy: -87.793 bonds (distance) P-C4' energy: -99.608 flat angles C4'-P-C4' energy: -111.763 flat angles P-C4'-P energy: -61.727 tors. eta vs tors. theta energy: -150.639 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: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1653.634698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.634698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.634698 (E_RNA) where: Base-Base interactions energy: -1189.036 where: short stacking energy: -560.611 Base-Backbone interact. energy: -1.958 local terms energy: -462.641423 where: bonds (distance) C4'-P energy: -73.501 bonds (distance) P-C4' energy: -82.338 flat angles C4'-P-C4' energy: -96.663 flat angles P-C4'-P energy: -59.129 tors. eta vs tors. theta energy: -151.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1646.167759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.167759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.167759 (E_RNA) where: Base-Base interactions energy: -1171.981 where: short stacking energy: -510.323 Base-Backbone interact. energy: -1.633 local terms energy: -472.554047 where: bonds (distance) C4'-P energy: -85.069 bonds (distance) P-C4' energy: -81.115 flat angles C4'-P-C4' energy: -98.401 flat angles P-C4'-P energy: -68.331 tors. eta vs tors. theta energy: -139.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1536.461637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.461637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.461637 (E_RNA) where: Base-Base interactions energy: -1089.527 where: short stacking energy: -506.725 Base-Backbone interact. energy: 0.049 local terms energy: -446.984162 where: bonds (distance) C4'-P energy: -75.906 bonds (distance) P-C4' energy: -82.323 flat angles C4'-P-C4' energy: -86.828 flat angles P-C4'-P energy: -63.031 tors. eta vs tors. theta energy: -138.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1405.187005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.187005 (E_RNA) where: Base-Base interactions energy: -973.251 where: short stacking energy: -470.657 Base-Backbone interact. energy: -1.336 local terms energy: -430.600245 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -85.381 flat angles C4'-P-C4' energy: -91.842 flat angles P-C4'-P energy: -64.720 tors. eta vs tors. theta energy: -117.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1429.895431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.895431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.895431 (E_RNA) where: Base-Base interactions energy: -1046.965 where: short stacking energy: -486.164 Base-Backbone interact. energy: 0.069 local terms energy: -382.999297 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -63.751 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -119.913 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: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1983.620466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.620466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.620466 (E_RNA) where: Base-Base interactions energy: -1421.520 where: short stacking energy: -653.056 Base-Backbone interact. energy: -0.067 local terms energy: -562.033405 where: bonds (distance) C4'-P energy: -94.155 bonds (distance) P-C4' energy: -99.990 flat angles C4'-P-C4' energy: -111.426 flat angles P-C4'-P energy: -81.510 tors. eta vs tors. theta energy: -174.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1900.578198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.578198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.578198 (E_RNA) where: Base-Base interactions energy: -1370.297 where: short stacking energy: -605.234 Base-Backbone interact. energy: -0.477 local terms energy: -529.804573 where: bonds (distance) C4'-P energy: -91.490 bonds (distance) P-C4' energy: -92.185 flat angles C4'-P-C4' energy: -109.104 flat angles P-C4'-P energy: -67.181 tors. eta vs tors. theta energy: -169.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1836.158836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.158836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.158836 (E_RNA) where: Base-Base interactions energy: -1307.094 where: short stacking energy: -613.989 Base-Backbone interact. energy: -0.719 local terms energy: -528.346404 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -110.071 flat angles P-C4'-P energy: -70.478 tors. eta vs tors. theta energy: -158.880 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: 4, replica: 9 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1754.916023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.916023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.916023 (E_RNA) where: Base-Base interactions energy: -1242.929 where: short stacking energy: -556.320 Base-Backbone interact. energy: 5.807 local terms energy: -517.793300 where: bonds (distance) C4'-P energy: -89.305 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -106.001 flat angles P-C4'-P energy: -77.304 tors. eta vs tors. theta energy: -156.855 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: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1756.895001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.895001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.895001 (E_RNA) where: Base-Base interactions energy: -1262.066 where: short stacking energy: -569.602 Base-Backbone interact. energy: 0.899 local terms energy: -495.728548 where: bonds (distance) C4'-P energy: -85.917 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -108.321 flat angles P-C4'-P energy: -72.896 tors. eta vs tors. theta energy: -151.118 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: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1694.621251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.621251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.621251 (E_RNA) where: Base-Base interactions energy: -1217.168 where: short stacking energy: -559.374 Base-Backbone interact. energy: 0.518 local terms energy: -477.971607 where: bonds (distance) C4'-P energy: -87.121 bonds (distance) P-C4' energy: -71.386 flat angles C4'-P-C4' energy: -93.686 flat angles P-C4'-P energy: -73.795 tors. eta vs tors. theta energy: -151.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1613.164134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.164134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.164134 (E_RNA) where: Base-Base interactions energy: -1140.289 where: short stacking energy: -510.406 Base-Backbone interact. energy: -3.664 local terms energy: -469.210890 where: bonds (distance) C4'-P energy: -91.019 bonds (distance) P-C4' energy: -73.489 flat angles C4'-P-C4' energy: -100.925 flat angles P-C4'-P energy: -56.340 tors. eta vs tors. theta energy: -147.438 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: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1573.097140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.097140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.097140 (E_RNA) where: Base-Base interactions energy: -1113.893 where: short stacking energy: -522.747 Base-Backbone interact. energy: 0.601 local terms energy: -459.805352 where: bonds (distance) C4'-P energy: -78.733 bonds (distance) P-C4' energy: -87.687 flat angles C4'-P-C4' energy: -101.533 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -139.434 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: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1456.118753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.118753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.118753 (E_RNA) where: Base-Base interactions energy: -998.835 where: short stacking energy: -474.841 Base-Backbone interact. energy: 3.243 local terms energy: -460.526384 where: bonds (distance) C4'-P energy: -85.489 bonds (distance) P-C4' energy: -88.411 flat angles C4'-P-C4' energy: -98.667 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -127.376 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: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1424.623802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.623802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.623802 (E_RNA) where: Base-Base interactions energy: -1049.826 where: short stacking energy: -447.846 Base-Backbone interact. energy: 1.467 local terms energy: -376.265555 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -56.852 flat angles C4'-P-C4' energy: -90.308 flat angles P-C4'-P energy: -55.968 tors. eta vs tors. theta energy: -112.302 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: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1997.540649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.540649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.540649 (E_RNA) where: Base-Base interactions energy: -1428.475 where: short stacking energy: -645.490 Base-Backbone interact. energy: -1.505 local terms energy: -567.560908 where: bonds (distance) C4'-P energy: -94.042 bonds (distance) P-C4' energy: -99.258 flat angles C4'-P-C4' energy: -122.324 flat angles P-C4'-P energy: -76.206 tors. eta vs tors. theta energy: -175.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1906.749038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.749038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.749038 (E_RNA) where: Base-Base interactions energy: -1366.298 where: short stacking energy: -626.426 Base-Backbone interact. energy: -0.496 local terms energy: -539.954852 where: bonds (distance) C4'-P energy: -82.365 bonds (distance) P-C4' energy: -91.013 flat angles C4'-P-C4' energy: -115.354 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -173.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1838.333060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.333060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.333060 (E_RNA) where: Base-Base interactions energy: -1309.936 where: short stacking energy: -601.780 Base-Backbone interact. energy: -1.732 local terms energy: -526.664962 where: bonds (distance) C4'-P energy: -86.702 bonds (distance) P-C4' energy: -93.921 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -73.248 tors. eta vs tors. theta energy: -158.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1769.199375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.199375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.199375 (E_RNA) where: Base-Base interactions energy: -1261.673 where: short stacking energy: -563.770 Base-Backbone interact. energy: 1.851 local terms energy: -509.376795 where: bonds (distance) C4'-P energy: -88.824 bonds (distance) P-C4' energy: -82.991 flat angles C4'-P-C4' energy: -103.587 flat angles P-C4'-P energy: -80.271 tors. eta vs tors. theta energy: -153.704 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: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1739.650969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.650969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.650969 (E_RNA) where: Base-Base interactions energy: -1246.152 where: short stacking energy: -545.400 Base-Backbone interact. energy: -1.901 local terms energy: -491.598351 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -83.254 flat angles C4'-P-C4' energy: -95.195 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -152.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1708.542267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.542267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.542267 (E_RNA) where: Base-Base interactions energy: -1226.856 where: short stacking energy: -548.954 Base-Backbone interact. energy: -0.870 local terms energy: -480.816542 where: bonds (distance) C4'-P energy: -83.379 bonds (distance) P-C4' energy: -86.930 flat angles C4'-P-C4' energy: -91.232 flat angles P-C4'-P energy: -61.875 tors. eta vs tors. theta energy: -157.400 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: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1609.436066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.436066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.436066 (E_RNA) where: Base-Base interactions energy: -1165.299 where: short stacking energy: -536.752 Base-Backbone interact. energy: 0.673 local terms energy: -444.810055 where: bonds (distance) C4'-P energy: -80.559 bonds (distance) P-C4' energy: -59.314 flat angles C4'-P-C4' energy: -105.800 flat angles P-C4'-P energy: -54.520 tors. eta vs tors. theta energy: -144.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1548.104231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.104231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.104231 (E_RNA) where: Base-Base interactions energy: -1073.938 where: short stacking energy: -527.825 Base-Backbone interact. energy: -1.606 local terms energy: -472.560470 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -95.975 flat angles C4'-P-C4' energy: -99.384 flat angles P-C4'-P energy: -65.739 tors. eta vs tors. theta energy: -140.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1575.529830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.529830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.529830 (E_RNA) where: Base-Base interactions energy: -1118.239 where: short stacking energy: -508.108 Base-Backbone interact. energy: -0.229 local terms energy: -457.061447 where: bonds (distance) C4'-P energy: -79.215 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -86.731 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -140.341 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: 454 Temperature: 1.350000 Total energy: -1406.588799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.588799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.588799 (E_RNA) where: Base-Base interactions energy: -1006.545 where: short stacking energy: -465.000 Base-Backbone interact. energy: -2.121 local terms energy: -397.922750 where: bonds (distance) C4'-P energy: -76.375 bonds (distance) P-C4' energy: -80.538 flat angles C4'-P-C4' energy: -73.318 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -118.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1980.980438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.980438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.980438 (E_RNA) where: Base-Base interactions energy: -1432.203 where: short stacking energy: -644.372 Base-Backbone interact. energy: -0.782 local terms energy: -547.994557 where: bonds (distance) C4'-P energy: -99.196 bonds (distance) P-C4' energy: -79.712 flat angles C4'-P-C4' energy: -111.041 flat angles P-C4'-P energy: -83.001 tors. eta vs tors. theta energy: -175.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1919.270372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.270372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.270372 (E_RNA) where: Base-Base interactions energy: -1358.855 where: short stacking energy: -605.076 Base-Backbone interact. energy: -1.884 local terms energy: -558.531780 where: bonds (distance) C4'-P energy: -100.074 bonds (distance) P-C4' energy: -101.206 flat angles C4'-P-C4' energy: -116.132 flat angles P-C4'-P energy: -77.991 tors. eta vs tors. theta energy: -163.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1830.049859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.049859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.049859 (E_RNA) where: Base-Base interactions energy: -1305.439 where: short stacking energy: -607.231 Base-Backbone interact. energy: 0.093 local terms energy: -524.704264 where: bonds (distance) C4'-P energy: -86.355 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -74.727 tors. eta vs tors. theta energy: -158.398 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: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1755.237513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.237513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.237513 (E_RNA) where: Base-Base interactions energy: -1268.805 where: short stacking energy: -569.847 Base-Backbone interact. energy: -2.680 local terms energy: -483.752737 where: bonds (distance) C4'-P energy: -72.082 bonds (distance) P-C4' energy: -89.193 flat angles C4'-P-C4' energy: -104.785 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -149.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1728.925844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.925844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.925844 (E_RNA) where: Base-Base interactions energy: -1242.780 where: short stacking energy: -553.169 Base-Backbone interact. energy: 1.058 local terms energy: -487.204217 where: bonds (distance) C4'-P energy: -86.155 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -108.211 flat angles P-C4'-P energy: -61.669 tors. eta vs tors. theta energy: -143.589 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: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1669.075914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.075914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.075914 (E_RNA) where: Base-Base interactions energy: -1206.208 where: short stacking energy: -557.158 Base-Backbone interact. energy: -1.585 local terms energy: -461.283423 where: bonds (distance) C4'-P energy: -73.889 bonds (distance) P-C4' energy: -81.179 flat angles C4'-P-C4' energy: -95.303 flat angles P-C4'-P energy: -68.287 tors. eta vs tors. theta energy: -142.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1660.843283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.843283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.843283 (E_RNA) where: Base-Base interactions energy: -1176.115 where: short stacking energy: -522.967 Base-Backbone interact. energy: -2.063 local terms energy: -482.665054 where: bonds (distance) C4'-P energy: -89.634 bonds (distance) P-C4' energy: -75.485 flat angles C4'-P-C4' energy: -104.179 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -148.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1571.360083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.360083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.360083 (E_RNA) where: Base-Base interactions energy: -1149.956 where: short stacking energy: -524.455 Base-Backbone interact. energy: -2.388 local terms energy: -419.016047 where: bonds (distance) C4'-P energy: -73.656 bonds (distance) P-C4' energy: -65.251 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -136.399 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: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1523.243711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.243711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.243711 (E_RNA) where: Base-Base interactions energy: -1126.809 where: short stacking energy: -527.592 Base-Backbone interact. energy: -0.927 local terms energy: -395.507922 where: bonds (distance) C4'-P energy: -46.745 bonds (distance) P-C4' energy: -73.126 flat angles C4'-P-C4' energy: -86.313 flat angles P-C4'-P energy: -45.547 tors. eta vs tors. theta energy: -143.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1367.493957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.493957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.493957 (E_RNA) where: Base-Base interactions energy: -947.987 where: short stacking energy: -432.397 Base-Backbone interact. energy: -1.617 local terms energy: -417.890033 where: bonds (distance) C4'-P energy: -70.293 bonds (distance) P-C4' energy: -79.211 flat angles C4'-P-C4' energy: -98.477 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -114.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1973.717387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.717387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.717387 (E_RNA) where: Base-Base interactions energy: -1407.744 where: short stacking energy: -630.079 Base-Backbone interact. energy: -0.875 local terms energy: -565.098606 where: bonds (distance) C4'-P energy: -103.626 bonds (distance) P-C4' energy: -91.376 flat angles C4'-P-C4' energy: -109.629 flat angles P-C4'-P energy: -87.187 tors. eta vs tors. theta energy: -173.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1899.001623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.001623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.001623 (E_RNA) where: Base-Base interactions energy: -1356.056 where: short stacking energy: -600.637 Base-Backbone interact. energy: -0.618 local terms energy: -542.328100 where: bonds (distance) C4'-P energy: -88.716 bonds (distance) P-C4' energy: -97.225 flat angles C4'-P-C4' energy: -111.444 flat angles P-C4'-P energy: -78.730 tors. eta vs tors. theta energy: -166.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1807.579128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.579128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.579128 (E_RNA) where: Base-Base interactions energy: -1290.191 where: short stacking energy: -592.660 Base-Backbone interact. energy: 0.765 local terms energy: -518.152906 where: bonds (distance) C4'-P energy: -87.661 bonds (distance) P-C4' energy: -89.357 flat angles C4'-P-C4' energy: -113.247 flat angles P-C4'-P energy: -71.439 tors. eta vs tors. theta energy: -156.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1787.505706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.505706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.505706 (E_RNA) where: Base-Base interactions energy: -1287.695 where: short stacking energy: -559.145 Base-Backbone interact. energy: -1.643 local terms energy: -498.167542 where: bonds (distance) C4'-P energy: -95.330 bonds (distance) P-C4' energy: -92.674 flat angles C4'-P-C4' energy: -92.964 flat angles P-C4'-P energy: -64.950 tors. eta vs tors. theta energy: -152.249 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: 456 Temperature: 1.100000 Total energy: -1746.900502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.900502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.900502 (E_RNA) where: Base-Base interactions energy: -1241.889 where: short stacking energy: -560.485 Base-Backbone interact. energy: -0.405 local terms energy: -504.605846 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -90.100 flat angles C4'-P-C4' energy: -106.046 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -153.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1682.205535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.205535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.205535 (E_RNA) where: Base-Base interactions energy: -1208.182 where: short stacking energy: -577.198 Base-Backbone interact. energy: -1.935 local terms energy: -472.089350 where: bonds (distance) C4'-P energy: -74.128 bonds (distance) P-C4' energy: -81.748 flat angles C4'-P-C4' energy: -100.914 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -157.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1647.380858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.380858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.380858 (E_RNA) where: Base-Base interactions energy: -1197.024 where: short stacking energy: -517.081 Base-Backbone interact. energy: -1.137 local terms energy: -449.219799 where: bonds (distance) C4'-P energy: -83.751 bonds (distance) P-C4' energy: -77.771 flat angles C4'-P-C4' energy: -100.816 flat angles P-C4'-P energy: -50.671 tors. eta vs tors. theta energy: -136.211 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: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1577.005430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.005430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.005430 (E_RNA) where: Base-Base interactions energy: -1150.546 where: short stacking energy: -539.161 Base-Backbone interact. energy: -1.385 local terms energy: -425.074574 where: bonds (distance) C4'-P energy: -72.878 bonds (distance) P-C4' energy: -63.608 flat angles C4'-P-C4' energy: -97.663 flat angles P-C4'-P energy: -50.461 tors. eta vs tors. theta energy: -140.466 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: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1494.941270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.941270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.941270 (E_RNA) where: Base-Base interactions energy: -1087.991 where: short stacking energy: -511.075 Base-Backbone interact. energy: -0.087 local terms energy: -406.863708 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -86.200 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -135.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1389.445422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.445422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.445422 (E_RNA) where: Base-Base interactions energy: -967.929 where: short stacking energy: -450.958 Base-Backbone interact. energy: -0.277 local terms energy: -421.239330 where: bonds (distance) C4'-P energy: -77.557 bonds (distance) P-C4' energy: -72.517 flat angles C4'-P-C4' energy: -82.689 flat angles P-C4'-P energy: -59.557 tors. eta vs tors. theta energy: -128.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1969.353286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.353286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.353286 (E_RNA) where: Base-Base interactions energy: -1409.069 where: short stacking energy: -649.467 Base-Backbone interact. energy: 0.115 local terms energy: -560.398815 where: bonds (distance) C4'-P energy: -95.694 bonds (distance) P-C4' energy: -90.415 flat angles C4'-P-C4' energy: -115.765 flat angles P-C4'-P energy: -81.370 tors. eta vs tors. theta energy: -177.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1901.946808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.946808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.946808 (E_RNA) where: Base-Base interactions energy: -1364.412 where: short stacking energy: -606.972 Base-Backbone interact. energy: -1.347 local terms energy: -536.188257 where: bonds (distance) C4'-P energy: -100.213 bonds (distance) P-C4' energy: -88.402 flat angles C4'-P-C4' energy: -108.369 flat angles P-C4'-P energy: -77.305 tors. eta vs tors. theta energy: -161.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1827.978975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.978975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.978975 (E_RNA) where: Base-Base interactions energy: -1321.798 where: short stacking energy: -589.604 Base-Backbone interact. energy: -2.309 local terms energy: -503.871865 where: bonds (distance) C4'-P energy: -88.121 bonds (distance) P-C4' energy: -71.489 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -73.367 tors. eta vs tors. theta energy: -153.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1780.574558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.574558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.574558 (E_RNA) where: Base-Base interactions energy: -1268.161 where: short stacking energy: -584.962 Base-Backbone interact. energy: -1.301 local terms energy: -511.112018 where: bonds (distance) C4'-P energy: -68.380 bonds (distance) P-C4' energy: -98.579 flat angles C4'-P-C4' energy: -112.141 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -160.622 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1759.029899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.029899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.029899 (E_RNA) where: Base-Base interactions energy: -1260.053 where: short stacking energy: -571.045 Base-Backbone interact. energy: -0.433 local terms energy: -498.543911 where: bonds (distance) C4'-P energy: -86.866 bonds (distance) P-C4' energy: -83.552 flat angles C4'-P-C4' energy: -100.223 flat angles P-C4'-P energy: -68.685 tors. eta vs tors. theta energy: -159.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1660.265302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.265302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.265302 (E_RNA) where: Base-Base interactions energy: -1204.280 where: short stacking energy: -559.834 Base-Backbone interact. energy: -1.295 local terms energy: -454.690693 where: bonds (distance) C4'-P energy: -73.648 bonds (distance) P-C4' energy: -75.757 flat angles C4'-P-C4' energy: -98.771 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -146.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1644.446880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.446880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.446880 (E_RNA) where: Base-Base interactions energy: -1192.794 where: short stacking energy: -534.221 Base-Backbone interact. energy: -2.249 local terms energy: -449.404388 where: bonds (distance) C4'-P energy: -76.462 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -95.385 flat angles P-C4'-P energy: -66.355 tors. eta vs tors. theta energy: -143.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1592.911794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.911794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.911794 (E_RNA) where: Base-Base interactions energy: -1138.331 where: short stacking energy: -480.249 Base-Backbone interact. energy: -1.513 local terms energy: -453.067657 where: bonds (distance) C4'-P energy: -82.453 bonds (distance) P-C4' energy: -78.865 flat angles C4'-P-C4' energy: -105.737 flat angles P-C4'-P energy: -46.017 tors. eta vs tors. theta energy: -139.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1500.735520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.735520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.735520 (E_RNA) where: Base-Base interactions energy: -1093.619 where: short stacking energy: -494.085 Base-Backbone interact. energy: -1.046 local terms energy: -406.071214 where: bonds (distance) C4'-P energy: -56.690 bonds (distance) P-C4' energy: -71.632 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -50.699 tors. eta vs tors. theta energy: -134.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1376.721649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.721649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.721649 (E_RNA) where: Base-Base interactions energy: -999.691 where: short stacking energy: -431.431 Base-Backbone interact. energy: -1.552 local terms energy: -375.478318 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -68.664 flat angles C4'-P-C4' energy: -75.364 flat angles P-C4'-P energy: -51.920 tors. eta vs tors. theta energy: -114.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1974.647816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.647816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.647816 (E_RNA) where: Base-Base interactions energy: -1408.440 where: short stacking energy: -637.943 Base-Backbone interact. energy: -1.834 local terms energy: -564.373632 where: bonds (distance) C4'-P energy: -103.327 bonds (distance) P-C4' energy: -106.246 flat angles C4'-P-C4' energy: -113.498 flat angles P-C4'-P energy: -76.310 tors. eta vs tors. theta energy: -164.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1890.489862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.489862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.489862 (E_RNA) where: Base-Base interactions energy: -1354.425 where: short stacking energy: -602.429 Base-Backbone interact. energy: -1.020 local terms energy: -535.044275 where: bonds (distance) C4'-P energy: -83.093 bonds (distance) P-C4' energy: -97.367 flat angles C4'-P-C4' energy: -113.396 flat angles P-C4'-P energy: -76.496 tors. eta vs tors. theta energy: -164.692 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: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1824.347283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.347283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.347283 (E_RNA) where: Base-Base interactions energy: -1295.278 where: short stacking energy: -582.812 Base-Backbone interact. energy: -0.075 local terms energy: -528.994996 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -92.642 flat angles C4'-P-C4' energy: -115.040 flat angles P-C4'-P energy: -80.974 tors. eta vs tors. theta energy: -155.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1759.761464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.761464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.761464 (E_RNA) where: Base-Base interactions energy: -1259.433 where: short stacking energy: -554.007 Base-Backbone interact. energy: -0.747 local terms energy: -499.581132 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -92.347 flat angles C4'-P-C4' energy: -102.879 flat angles P-C4'-P energy: -64.060 tors. eta vs tors. theta energy: -149.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1743.356224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.356224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.356224 (E_RNA) where: Base-Base interactions energy: -1252.918 where: short stacking energy: -554.630 Base-Backbone interact. energy: -2.316 local terms energy: -488.122808 where: bonds (distance) C4'-P energy: -86.592 bonds (distance) P-C4' energy: -82.670 flat angles C4'-P-C4' energy: -96.857 flat angles P-C4'-P energy: -68.213 tors. eta vs tors. theta energy: -153.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1649.605024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.605024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.605024 (E_RNA) where: Base-Base interactions energy: -1176.471 where: short stacking energy: -520.359 Base-Backbone interact. energy: -0.104 local terms energy: -473.030099 where: bonds (distance) C4'-P energy: -82.878 bonds (distance) P-C4' energy: -85.036 flat angles C4'-P-C4' energy: -98.598 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: -141.162 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: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1602.852494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.852494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.852494 (E_RNA) where: Base-Base interactions energy: -1151.278 where: short stacking energy: -520.576 Base-Backbone interact. energy: -1.136 local terms energy: -450.439097 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -83.188 flat angles C4'-P-C4' energy: -88.296 flat angles P-C4'-P energy: -57.053 tors. eta vs tors. theta energy: -143.649 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: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1592.178317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.178317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.178317 (E_RNA) where: Base-Base interactions energy: -1144.778 where: short stacking energy: -518.059 Base-Backbone interact. energy: -1.009 local terms energy: -446.391429 where: bonds (distance) C4'-P energy: -72.942 bonds (distance) P-C4' energy: -74.546 flat angles C4'-P-C4' energy: -93.987 flat angles P-C4'-P energy: -65.012 tors. eta vs tors. theta energy: -139.904 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: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1486.269429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.269429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.269429 (E_RNA) where: Base-Base interactions energy: -1073.532 where: short stacking energy: -521.288 Base-Backbone interact. energy: -2.519 local terms energy: -410.218327 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -70.161 flat angles C4'-P-C4' energy: -93.590 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -135.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1389.905334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.905334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.905334 (E_RNA) where: Base-Base interactions energy: -995.059 where: short stacking energy: -451.161 Base-Backbone interact. energy: 0.043 local terms energy: -394.888923 where: bonds (distance) C4'-P energy: -68.422 bonds (distance) P-C4' energy: -76.313 flat angles C4'-P-C4' energy: -90.222 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -116.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1960.649127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.649127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.649127 (E_RNA) where: Base-Base interactions energy: -1425.469 where: short stacking energy: -634.871 Base-Backbone interact. energy: -1.081 local terms energy: -534.098936 where: bonds (distance) C4'-P energy: -101.286 bonds (distance) P-C4' energy: -80.827 flat angles C4'-P-C4' energy: -111.639 flat angles P-C4'-P energy: -68.233 tors. eta vs tors. theta energy: -172.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1924.626012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.626012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.626012 (E_RNA) where: Base-Base interactions energy: -1368.821 where: short stacking energy: -615.235 Base-Backbone interact. energy: -2.090 local terms energy: -553.715438 where: bonds (distance) C4'-P energy: -103.846 bonds (distance) P-C4' energy: -91.730 flat angles C4'-P-C4' energy: -111.772 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -165.727 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: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1831.875889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.875889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.875889 (E_RNA) where: Base-Base interactions energy: -1326.245 where: short stacking energy: -591.855 Base-Backbone interact. energy: -1.050 local terms energy: -504.581845 where: bonds (distance) C4'-P energy: -86.379 bonds (distance) P-C4' energy: -82.472 flat angles C4'-P-C4' energy: -112.844 flat angles P-C4'-P energy: -68.952 tors. eta vs tors. theta energy: -153.936 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: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1766.349766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.349766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.349766 (E_RNA) where: Base-Base interactions energy: -1279.478 where: short stacking energy: -567.856 Base-Backbone interact. energy: -2.474 local terms energy: -484.397628 where: bonds (distance) C4'-P energy: -75.878 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -108.145 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -152.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1763.050185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.050185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.050185 (E_RNA) where: Base-Base interactions energy: -1261.249 where: short stacking energy: -565.059 Base-Backbone interact. energy: -2.286 local terms energy: -499.514914 where: bonds (distance) C4'-P energy: -94.309 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -94.681 flat angles P-C4'-P energy: -69.906 tors. eta vs tors. theta energy: -151.109 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: 459 Temperature: 1.150000 Total energy: -1665.255554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.255554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.255554 (E_RNA) where: Base-Base interactions energy: -1185.128 where: short stacking energy: -538.018 Base-Backbone interact. energy: -1.954 local terms energy: -478.173230 where: bonds (distance) C4'-P energy: -86.104 bonds (distance) P-C4' energy: -81.626 flat angles C4'-P-C4' energy: -99.246 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: -151.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1631.396405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.396405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.396405 (E_RNA) where: Base-Base interactions energy: -1182.138 where: short stacking energy: -520.472 Base-Backbone interact. energy: -2.672 local terms energy: -446.586138 where: bonds (distance) C4'-P energy: -75.457 bonds (distance) P-C4' energy: -83.909 flat angles C4'-P-C4' energy: -94.640 flat angles P-C4'-P energy: -57.299 tors. eta vs tors. theta energy: -135.281 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: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1585.180714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.180714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.180714 (E_RNA) where: Base-Base interactions energy: -1163.749 where: short stacking energy: -503.882 Base-Backbone interact. energy: -1.090 local terms energy: -420.342232 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -81.102 flat angles C4'-P-C4' energy: -92.025 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: -133.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1445.741125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.741125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.741125 (E_RNA) where: Base-Base interactions energy: -1020.016 where: short stacking energy: -501.022 Base-Backbone interact. energy: -0.428 local terms energy: -425.297105 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -62.847 flat angles C4'-P-C4' energy: -92.105 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: -130.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1422.963589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.963589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.963589 (E_RNA) where: Base-Base interactions energy: -1006.138 where: short stacking energy: -478.598 Base-Backbone interact. energy: 0.357 local terms energy: -417.182242 where: bonds (distance) C4'-P energy: -73.252 bonds (distance) P-C4' energy: -63.446 flat angles C4'-P-C4' energy: -90.659 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -132.678 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: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1968.465514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.465514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.465514 (E_RNA) where: Base-Base interactions energy: -1414.656 where: short stacking energy: -632.153 Base-Backbone interact. energy: -4.906 local terms energy: -548.903586 where: bonds (distance) C4'-P energy: -86.817 bonds (distance) P-C4' energy: -89.172 flat angles C4'-P-C4' energy: -114.460 flat angles P-C4'-P energy: -83.499 tors. eta vs tors. theta energy: -174.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1908.065233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.065233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.065233 (E_RNA) where: Base-Base interactions energy: -1369.558 where: short stacking energy: -617.879 Base-Backbone interact. energy: -2.899 local terms energy: -535.608130 where: bonds (distance) C4'-P energy: -90.921 bonds (distance) P-C4' energy: -87.843 flat angles C4'-P-C4' energy: -115.870 flat angles P-C4'-P energy: -79.653 tors. eta vs tors. theta energy: -161.321 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: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1821.654687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.654687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.654687 (E_RNA) where: Base-Base interactions energy: -1285.862 where: short stacking energy: -583.109 Base-Backbone interact. energy: 1.685 local terms energy: -537.476984 where: bonds (distance) C4'-P energy: -97.677 bonds (distance) P-C4' energy: -88.467 flat angles C4'-P-C4' energy: -114.357 flat angles P-C4'-P energy: -75.233 tors. eta vs tors. theta energy: -161.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1801.205625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.205625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.205625 (E_RNA) where: Base-Base interactions energy: -1280.533 where: short stacking energy: -588.877 Base-Backbone interact. energy: -4.861 local terms energy: -515.812306 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -92.686 flat angles C4'-P-C4' energy: -108.188 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -152.753 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: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1763.484540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.484540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.484540 (E_RNA) where: Base-Base interactions energy: -1275.628 where: short stacking energy: -576.710 Base-Backbone interact. energy: -3.073 local terms energy: -484.783087 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -100.337 flat angles P-C4'-P energy: -72.659 tors. eta vs tors. theta energy: -143.891 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: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1658.375661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.375661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.375661 (E_RNA) where: Base-Base interactions energy: -1176.406 where: short stacking energy: -547.504 Base-Backbone interact. energy: 0.863 local terms energy: -482.832470 where: bonds (distance) C4'-P energy: -82.433 bonds (distance) P-C4' energy: -78.959 flat angles C4'-P-C4' energy: -98.717 flat angles P-C4'-P energy: -72.237 tors. eta vs tors. theta energy: -150.486 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: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1636.981684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.981684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.981684 (E_RNA) where: Base-Base interactions energy: -1159.780 where: short stacking energy: -524.337 Base-Backbone interact. energy: -1.488 local terms energy: -475.714611 where: bonds (distance) C4'-P energy: -82.513 bonds (distance) P-C4' energy: -82.080 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -67.906 tors. eta vs tors. theta energy: -142.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1616.938748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.938748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.938748 (E_RNA) where: Base-Base interactions energy: -1189.283 where: short stacking energy: -520.904 Base-Backbone interact. energy: -2.079 local terms energy: -425.576356 where: bonds (distance) C4'-P energy: -66.486 bonds (distance) P-C4' energy: -65.881 flat angles C4'-P-C4' energy: -100.152 flat angles P-C4'-P energy: -59.044 tors. eta vs tors. theta energy: -134.013 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: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1455.625065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.625065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.625065 (E_RNA) where: Base-Base interactions energy: -1018.147 where: short stacking energy: -445.128 Base-Backbone interact. energy: -1.375 local terms energy: -436.103556 where: bonds (distance) C4'-P energy: -68.765 bonds (distance) P-C4' energy: -90.932 flat angles C4'-P-C4' energy: -89.702 flat angles P-C4'-P energy: -63.604 tors. eta vs tors. theta energy: -123.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1364.796150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.796150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.796150 (E_RNA) where: Base-Base interactions energy: -947.015 where: short stacking energy: -445.260 Base-Backbone interact. energy: 0.386 local terms energy: -418.166994 where: bonds (distance) C4'-P energy: -80.544 bonds (distance) P-C4' energy: -74.765 flat angles C4'-P-C4' energy: -95.082 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: -121.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1966.520932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.520932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.520932 (E_RNA) where: Base-Base interactions energy: -1418.051 where: short stacking energy: -625.463 Base-Backbone interact. energy: -1.027 local terms energy: -547.442838 where: bonds (distance) C4'-P energy: -88.290 bonds (distance) P-C4' energy: -100.338 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -80.069 tors. eta vs tors. theta energy: -167.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1909.111752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.111752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.111752 (E_RNA) where: Base-Base interactions energy: -1357.431 where: short stacking energy: -598.247 Base-Backbone interact. energy: -3.152 local terms energy: -548.528784 where: bonds (distance) C4'-P energy: -90.847 bonds (distance) P-C4' energy: -92.898 flat angles C4'-P-C4' energy: -119.713 flat angles P-C4'-P energy: -76.196 tors. eta vs tors. theta energy: -168.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1810.549152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.549152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.549152 (E_RNA) where: Base-Base interactions energy: -1298.567 where: short stacking energy: -576.151 Base-Backbone interact. energy: -3.387 local terms energy: -508.594923 where: bonds (distance) C4'-P energy: -87.495 bonds (distance) P-C4' energy: -91.546 flat angles C4'-P-C4' energy: -106.614 flat angles P-C4'-P energy: -73.603 tors. eta vs tors. theta energy: -149.337 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: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1777.937420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.937420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.937420 (E_RNA) where: Base-Base interactions energy: -1285.264 where: short stacking energy: -590.580 Base-Backbone interact. energy: -2.558 local terms energy: -490.115539 where: bonds (distance) C4'-P energy: -67.610 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -112.965 flat angles P-C4'-P energy: -69.109 tors. eta vs tors. theta energy: -155.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1760.365004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.365004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.365004 (E_RNA) where: Base-Base interactions energy: -1274.192 where: short stacking energy: -579.256 Base-Backbone interact. energy: -2.470 local terms energy: -483.702774 where: bonds (distance) C4'-P energy: -72.057 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -106.604 flat angles P-C4'-P energy: -69.348 tors. eta vs tors. theta energy: -153.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1660.412665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.412665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.412665 (E_RNA) where: Base-Base interactions energy: -1201.347 where: short stacking energy: -550.350 Base-Backbone interact. energy: 4.121 local terms energy: -463.187033 where: bonds (distance) C4'-P energy: -73.232 bonds (distance) P-C4' energy: -80.782 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -61.968 tors. eta vs tors. theta energy: -140.352 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: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1621.220442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.220442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.220442 (E_RNA) where: Base-Base interactions energy: -1185.053 where: short stacking energy: -550.410 Base-Backbone interact. energy: 2.780 local terms energy: -438.947322 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -99.734 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -137.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1607.682085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.682085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.682085 (E_RNA) where: Base-Base interactions energy: -1153.558 where: short stacking energy: -520.189 Base-Backbone interact. energy: -2.060 local terms energy: -452.063650 where: bonds (distance) C4'-P energy: -80.424 bonds (distance) P-C4' energy: -70.229 flat angles C4'-P-C4' energy: -106.304 flat angles P-C4'-P energy: -61.833 tors. eta vs tors. theta energy: -133.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1445.113310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.113310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.113310 (E_RNA) where: Base-Base interactions energy: -1017.713 where: short stacking energy: -487.395 Base-Backbone interact. energy: -1.668 local terms energy: -425.731789 where: bonds (distance) C4'-P energy: -86.249 bonds (distance) P-C4' energy: -54.517 flat angles C4'-P-C4' energy: -94.628 flat angles P-C4'-P energy: -67.523 tors. eta vs tors. theta energy: -122.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1365.146730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.146730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.146730 (E_RNA) where: Base-Base interactions energy: -978.712 where: short stacking energy: -457.983 Base-Backbone interact. energy: -1.538 local terms energy: -384.895838 where: bonds (distance) C4'-P energy: -63.544 bonds (distance) P-C4' energy: -58.432 flat angles C4'-P-C4' energy: -80.155 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -116.572 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: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1971.947837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.947837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.947837 (E_RNA) where: Base-Base interactions energy: -1395.204 where: short stacking energy: -629.669 Base-Backbone interact. energy: -1.733 local terms energy: -575.010352 where: bonds (distance) C4'-P energy: -93.934 bonds (distance) P-C4' energy: -98.504 flat angles C4'-P-C4' energy: -121.166 flat angles P-C4'-P energy: -89.370 tors. eta vs tors. theta energy: -172.037 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: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1904.703974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.703974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.703974 (E_RNA) where: Base-Base interactions energy: -1361.074 where: short stacking energy: -601.060 Base-Backbone interact. energy: -2.083 local terms energy: -541.546916 where: bonds (distance) C4'-P energy: -90.684 bonds (distance) P-C4' energy: -108.138 flat angles C4'-P-C4' energy: -111.630 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -158.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1809.378746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.378746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.378746 (E_RNA) where: Base-Base interactions energy: -1278.785 where: short stacking energy: -584.967 Base-Backbone interact. energy: -0.891 local terms energy: -529.702597 where: bonds (distance) C4'-P energy: -94.118 bonds (distance) P-C4' energy: -99.242 flat angles C4'-P-C4' energy: -111.759 flat angles P-C4'-P energy: -67.062 tors. eta vs tors. theta energy: -157.522 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: 462 Temperature: 1.050000 Total energy: -1806.371465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.371465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.371465 (E_RNA) where: Base-Base interactions energy: -1282.756 where: short stacking energy: -589.943 Base-Backbone interact. energy: -3.424 local terms energy: -520.191384 where: bonds (distance) C4'-P energy: -85.143 bonds (distance) P-C4' energy: -93.002 flat angles C4'-P-C4' energy: -112.894 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -158.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1768.571918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.571918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.571918 (E_RNA) where: Base-Base interactions energy: -1258.374 where: short stacking energy: -580.914 Base-Backbone interact. energy: -3.509 local terms energy: -506.688884 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -85.198 flat angles C4'-P-C4' energy: -108.711 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -155.663 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: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1698.586581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.586581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.586581 (E_RNA) where: Base-Base interactions energy: -1217.343 where: short stacking energy: -550.055 Base-Backbone interact. energy: -0.064 local terms energy: -481.179950 where: bonds (distance) C4'-P energy: -80.083 bonds (distance) P-C4' energy: -74.640 flat angles C4'-P-C4' energy: -105.989 flat angles P-C4'-P energy: -72.192 tors. eta vs tors. theta energy: -148.276 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: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1610.372597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.372597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.372597 (E_RNA) where: Base-Base interactions energy: -1124.714 where: short stacking energy: -506.918 Base-Backbone interact. energy: -1.533 local terms energy: -484.125150 where: bonds (distance) C4'-P energy: -91.499 bonds (distance) P-C4' energy: -85.666 flat angles C4'-P-C4' energy: -94.851 flat angles P-C4'-P energy: -63.442 tors. eta vs tors. theta energy: -148.667 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: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1541.010291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.010291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.010291 (E_RNA) where: Base-Base interactions energy: -1110.627 where: short stacking energy: -504.032 Base-Backbone interact. energy: -4.348 local terms energy: -426.034953 where: bonds (distance) C4'-P energy: -77.181 bonds (distance) P-C4' energy: -79.358 flat angles C4'-P-C4' energy: -80.912 flat angles P-C4'-P energy: -64.042 tors. eta vs tors. theta energy: -124.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1421.921637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.921637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.921637 (E_RNA) where: Base-Base interactions energy: -984.430 where: short stacking energy: -470.833 Base-Backbone interact. energy: -2.418 local terms energy: -435.072987 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -94.064 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -122.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1375.515201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.515201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.515201 (E_RNA) where: Base-Base interactions energy: -999.405 where: short stacking energy: -460.178 Base-Backbone interact. energy: 2.478 local terms energy: -378.589175 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -90.341 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -117.104 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: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1957.844875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.844875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.844875 (E_RNA) where: Base-Base interactions energy: -1392.350 where: short stacking energy: -628.096 Base-Backbone interact. energy: -0.497 local terms energy: -564.997303 where: bonds (distance) C4'-P energy: -101.488 bonds (distance) P-C4' energy: -97.708 flat angles C4'-P-C4' energy: -113.946 flat angles P-C4'-P energy: -80.347 tors. eta vs tors. theta energy: -171.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1911.444773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.444773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.444773 (E_RNA) where: Base-Base interactions energy: -1360.999 where: short stacking energy: -612.287 Base-Backbone interact. energy: 1.371 local terms energy: -551.816629 where: bonds (distance) C4'-P energy: -94.618 bonds (distance) P-C4' energy: -92.160 flat angles C4'-P-C4' energy: -116.872 flat angles P-C4'-P energy: -78.507 tors. eta vs tors. theta energy: -169.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1814.264118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.264118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.264118 (E_RNA) where: Base-Base interactions energy: -1301.771 where: short stacking energy: -599.870 Base-Backbone interact. energy: -1.456 local terms energy: -511.036898 where: bonds (distance) C4'-P energy: -86.107 bonds (distance) P-C4' energy: -99.763 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: -155.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1807.153772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.153772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.153772 (E_RNA) where: Base-Base interactions energy: -1301.954 where: short stacking energy: -579.431 Base-Backbone interact. energy: -2.201 local terms energy: -502.998697 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -86.518 flat angles C4'-P-C4' energy: -111.789 flat angles P-C4'-P energy: -75.257 tors. eta vs tors. theta energy: -153.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1735.660045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.660045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.660045 (E_RNA) where: Base-Base interactions energy: -1244.711 where: short stacking energy: -577.442 Base-Backbone interact. energy: -1.871 local terms energy: -489.078650 where: bonds (distance) C4'-P energy: -74.104 bonds (distance) P-C4' energy: -82.571 flat angles C4'-P-C4' energy: -111.508 flat angles P-C4'-P energy: -66.671 tors. eta vs tors. theta energy: -154.224 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: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1651.226072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.226072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.226072 (E_RNA) where: Base-Base interactions energy: -1183.399 where: short stacking energy: -520.839 Base-Backbone interact. energy: -2.831 local terms energy: -464.996256 where: bonds (distance) C4'-P energy: -80.032 bonds (distance) P-C4' energy: -78.688 flat angles C4'-P-C4' energy: -103.350 flat angles P-C4'-P energy: -66.400 tors. eta vs tors. theta energy: -136.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1645.116204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.116204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.116204 (E_RNA) where: Base-Base interactions energy: -1204.418 where: short stacking energy: -556.463 Base-Backbone interact. energy: -0.467 local terms energy: -440.231317 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -71.919 flat angles C4'-P-C4' energy: -95.674 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: -144.809 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: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1556.437469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.437469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.437469 (E_RNA) where: Base-Base interactions energy: -1098.766 where: short stacking energy: -489.226 Base-Backbone interact. energy: -1.631 local terms energy: -456.040354 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -91.217 flat angles C4'-P-C4' energy: -99.269 flat angles P-C4'-P energy: -57.104 tors. eta vs tors. theta energy: -136.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1374.641119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.641119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.641119 (E_RNA) where: Base-Base interactions energy: -964.021 where: short stacking energy: -462.474 Base-Backbone interact. energy: 1.617 local terms energy: -412.236851 where: bonds (distance) C4'-P energy: -76.739 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -120.469 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: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1365.405199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.405199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.405199 (E_RNA) where: Base-Base interactions energy: -966.177 where: short stacking energy: -465.353 Base-Backbone interact. energy: -1.709 local terms energy: -397.519798 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -83.068 flat angles C4'-P-C4' energy: -91.761 flat angles P-C4'-P energy: -51.821 tors. eta vs tors. theta energy: -106.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1973.994933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.994933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.994933 (E_RNA) where: Base-Base interactions energy: -1422.103 where: short stacking energy: -649.193 Base-Backbone interact. energy: -1.045 local terms energy: -550.846968 where: bonds (distance) C4'-P energy: -90.682 bonds (distance) P-C4' energy: -101.674 flat angles C4'-P-C4' energy: -115.802 flat angles P-C4'-P energy: -70.565 tors. eta vs tors. theta energy: -172.124 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: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1925.250297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.250297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.250297 (E_RNA) where: Base-Base interactions energy: -1376.664 where: short stacking energy: -625.061 Base-Backbone interact. energy: -1.400 local terms energy: -547.185846 where: bonds (distance) C4'-P energy: -77.481 bonds (distance) P-C4' energy: -103.413 flat angles C4'-P-C4' energy: -111.955 flat angles P-C4'-P energy: -84.635 tors. eta vs tors. theta energy: -169.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1829.725034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.725034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.725034 (E_RNA) where: Base-Base interactions energy: -1333.071 where: short stacking energy: -601.193 Base-Backbone interact. energy: -0.062 local terms energy: -496.591793 where: bonds (distance) C4'-P energy: -80.599 bonds (distance) P-C4' energy: -83.601 flat angles C4'-P-C4' energy: -99.008 flat angles P-C4'-P energy: -73.937 tors. eta vs tors. theta energy: -159.447 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: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1816.764536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.764536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.764536 (E_RNA) where: Base-Base interactions energy: -1299.323 where: short stacking energy: -611.310 Base-Backbone interact. energy: -0.612 local terms energy: -516.829526 where: bonds (distance) C4'-P energy: -86.653 bonds (distance) P-C4' energy: -92.317 flat angles C4'-P-C4' energy: -106.232 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -160.928 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: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1713.543716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.543716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.543716 (E_RNA) where: Base-Base interactions energy: -1227.659 where: short stacking energy: -572.724 Base-Backbone interact. energy: -1.385 local terms energy: -484.500500 where: bonds (distance) C4'-P energy: -74.647 bonds (distance) P-C4' energy: -83.387 flat angles C4'-P-C4' energy: -112.246 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -148.428 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: 8 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1683.359838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.359838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.359838 (E_RNA) where: Base-Base interactions energy: -1195.898 where: short stacking energy: -540.850 Base-Backbone interact. energy: -1.079 local terms energy: -486.383461 where: bonds (distance) C4'-P energy: -73.157 bonds (distance) P-C4' energy: -90.126 flat angles C4'-P-C4' energy: -106.494 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -148.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1639.410723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.410723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.410723 (E_RNA) where: Base-Base interactions energy: -1182.622 where: short stacking energy: -507.552 Base-Backbone interact. energy: -0.909 local terms energy: -455.880146 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -76.877 flat angles C4'-P-C4' energy: -104.746 flat angles P-C4'-P energy: -59.525 tors. eta vs tors. theta energy: -136.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1611.323498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.323498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.323498 (E_RNA) where: Base-Base interactions energy: -1186.140 where: short stacking energy: -532.163 Base-Backbone interact. energy: 4.594 local terms energy: -429.778229 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -75.153 flat angles C4'-P-C4' energy: -93.571 flat angles P-C4'-P energy: -56.131 tors. eta vs tors. theta energy: -139.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1394.234381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.234381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.234381 (E_RNA) where: Base-Base interactions energy: -990.831 where: short stacking energy: -456.762 Base-Backbone interact. energy: -1.780 local terms energy: -401.623665 where: bonds (distance) C4'-P energy: -67.291 bonds (distance) P-C4' energy: -67.826 flat angles C4'-P-C4' energy: -100.785 flat angles P-C4'-P energy: -53.121 tors. eta vs tors. theta energy: -112.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1390.087419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.087419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.087419 (E_RNA) where: Base-Base interactions energy: -994.973 where: short stacking energy: -457.940 Base-Backbone interact. energy: 0.024 local terms energy: -395.138137 where: bonds (distance) C4'-P energy: -62.658 bonds (distance) P-C4' energy: -79.799 flat angles C4'-P-C4' energy: -93.798 flat angles P-C4'-P energy: -41.448 tors. eta vs tors. theta energy: -117.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1969.426723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.426723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.426723 (E_RNA) where: Base-Base interactions energy: -1419.592 where: short stacking energy: -647.687 Base-Backbone interact. energy: -2.231 local terms energy: -547.603324 where: bonds (distance) C4'-P energy: -92.116 bonds (distance) P-C4' energy: -85.559 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -77.993 tors. eta vs tors. theta energy: -172.598 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: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1927.475555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.475555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.475555 (E_RNA) where: Base-Base interactions energy: -1382.274 where: short stacking energy: -627.189 Base-Backbone interact. energy: -1.568 local terms energy: -543.633732 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -93.870 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -169.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1849.301960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.301960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.301960 (E_RNA) where: Base-Base interactions energy: -1332.788 where: short stacking energy: -608.974 Base-Backbone interact. energy: -1.790 local terms energy: -514.724598 where: bonds (distance) C4'-P energy: -90.167 bonds (distance) P-C4' energy: -88.716 flat angles C4'-P-C4' energy: -107.372 flat angles P-C4'-P energy: -70.877 tors. eta vs tors. theta energy: -157.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1789.621736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.621736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.621736 (E_RNA) where: Base-Base interactions energy: -1303.352 where: short stacking energy: -598.804 Base-Backbone interact. energy: 2.795 local terms energy: -489.064885 where: bonds (distance) C4'-P energy: -83.593 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -107.441 flat angles P-C4'-P energy: -68.554 tors. eta vs tors. theta energy: -149.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1703.768708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.768708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.768708 (E_RNA) where: Base-Base interactions energy: -1216.137 where: short stacking energy: -553.340 Base-Backbone interact. energy: -1.647 local terms energy: -485.984509 where: bonds (distance) C4'-P energy: -77.982 bonds (distance) P-C4' energy: -87.661 flat angles C4'-P-C4' energy: -96.904 flat angles P-C4'-P energy: -81.558 tors. eta vs tors. theta energy: -141.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1710.504616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.504616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.504616 (E_RNA) where: Base-Base interactions energy: -1222.023 where: short stacking energy: -556.416 Base-Backbone interact. energy: -1.886 local terms energy: -486.594811 where: bonds (distance) C4'-P energy: -75.093 bonds (distance) P-C4' energy: -91.993 flat angles C4'-P-C4' energy: -104.459 flat angles P-C4'-P energy: -68.932 tors. eta vs tors. theta energy: -146.117 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: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1652.953571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.953571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.953571 (E_RNA) where: Base-Base interactions energy: -1186.054 where: short stacking energy: -537.987 Base-Backbone interact. energy: -0.002 local terms energy: -466.897467 where: bonds (distance) C4'-P energy: -84.556 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -95.085 flat angles P-C4'-P energy: -58.218 tors. eta vs tors. theta energy: -150.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1585.270005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.270005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.270005 (E_RNA) where: Base-Base interactions energy: -1154.001 where: short stacking energy: -507.729 Base-Backbone interact. energy: -0.510 local terms energy: -430.759525 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -82.940 flat angles P-C4'-P energy: -51.827 tors. eta vs tors. theta energy: -136.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1416.455298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.455298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.455298 (E_RNA) where: Base-Base interactions energy: -986.528 where: short stacking energy: -486.026 Base-Backbone interact. energy: -0.650 local terms energy: -429.277362 where: bonds (distance) C4'-P energy: -86.535 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -88.460 flat angles P-C4'-P energy: -52.936 tors. eta vs tors. theta energy: -122.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1387.108863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.108863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.108863 (E_RNA) where: Base-Base interactions energy: -989.609 where: short stacking energy: -477.312 Base-Backbone interact. energy: -1.031 local terms energy: -396.468512 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -73.983 flat angles C4'-P-C4' energy: -89.059 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: -122.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1977.800353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.800353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.800353 (E_RNA) where: Base-Base interactions energy: -1415.104 where: short stacking energy: -636.241 Base-Backbone interact. energy: -0.745 local terms energy: -561.951779 where: bonds (distance) C4'-P energy: -96.847 bonds (distance) P-C4' energy: -93.705 flat angles C4'-P-C4' energy: -117.703 flat angles P-C4'-P energy: -81.482 tors. eta vs tors. theta energy: -172.214 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: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1913.591082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.591082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.591082 (E_RNA) where: Base-Base interactions energy: -1369.216 where: short stacking energy: -629.610 Base-Backbone interact. energy: 1.076 local terms energy: -545.451281 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -90.362 flat angles C4'-P-C4' energy: -104.129 flat angles P-C4'-P energy: -88.667 tors. eta vs tors. theta energy: -161.184 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: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1837.943235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.943235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.943235 (E_RNA) where: Base-Base interactions energy: -1316.286 where: short stacking energy: -591.799 Base-Backbone interact. energy: -1.897 local terms energy: -519.760245 where: bonds (distance) C4'-P energy: -93.608 bonds (distance) P-C4' energy: -84.564 flat angles C4'-P-C4' energy: -107.134 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -157.069 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: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1794.184726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.184726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.184726 (E_RNA) where: Base-Base interactions energy: -1297.015 where: short stacking energy: -607.970 Base-Backbone interact. energy: 0.803 local terms energy: -497.972410 where: bonds (distance) C4'-P energy: -67.115 bonds (distance) P-C4' energy: -87.583 flat angles C4'-P-C4' energy: -102.292 flat angles P-C4'-P energy: -76.680 tors. eta vs tors. theta energy: -164.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1740.302655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.302655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.302655 (E_RNA) where: Base-Base interactions energy: -1248.519 where: short stacking energy: -574.233 Base-Backbone interact. energy: -1.461 local terms energy: -490.322796 where: bonds (distance) C4'-P energy: -88.378 bonds (distance) P-C4' energy: -95.289 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -54.993 tors. eta vs tors. theta energy: -150.114 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: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1692.899825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.899825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.899825 (E_RNA) where: Base-Base interactions energy: -1229.720 where: short stacking energy: -576.725 Base-Backbone interact. energy: -0.954 local terms energy: -462.225812 where: bonds (distance) C4'-P energy: -73.212 bonds (distance) P-C4' energy: -75.520 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -70.336 tors. eta vs tors. theta energy: -150.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1619.888286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.888286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.888286 (E_RNA) where: Base-Base interactions energy: -1176.694 where: short stacking energy: -553.533 Base-Backbone interact. energy: -2.064 local terms energy: -441.130896 where: bonds (distance) C4'-P energy: -75.401 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -101.730 flat angles P-C4'-P energy: -57.691 tors. eta vs tors. theta energy: -130.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1592.104670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.104670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.104670 (E_RNA) where: Base-Base interactions energy: -1153.523 where: short stacking energy: -511.121 Base-Backbone interact. energy: -1.677 local terms energy: -436.905074 where: bonds (distance) C4'-P energy: -65.395 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -69.456 tors. eta vs tors. theta energy: -129.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1459.811865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.811865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.811865 (E_RNA) where: Base-Base interactions energy: -1018.673 where: short stacking energy: -467.876 Base-Backbone interact. energy: -1.150 local terms energy: -439.988917 where: bonds (distance) C4'-P energy: -76.333 bonds (distance) P-C4' energy: -79.464 flat angles C4'-P-C4' energy: -95.495 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: -125.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1376.988332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.988332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.988332 (E_RNA) where: Base-Base interactions energy: -987.996 where: short stacking energy: -459.178 Base-Backbone interact. energy: 0.534 local terms energy: -389.526277 where: bonds (distance) C4'-P energy: -77.732 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -77.923 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -121.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1970.427726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.427726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.427726 (E_RNA) where: Base-Base interactions energy: -1416.801 where: short stacking energy: -637.066 Base-Backbone interact. energy: -0.680 local terms energy: -552.946230 where: bonds (distance) C4'-P energy: -91.905 bonds (distance) P-C4' energy: -88.674 flat angles C4'-P-C4' energy: -114.132 flat angles P-C4'-P energy: -88.050 tors. eta vs tors. theta energy: -170.185 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: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1903.678355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.678355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.678355 (E_RNA) where: Base-Base interactions energy: -1371.254 where: short stacking energy: -639.551 Base-Backbone interact. energy: 1.341 local terms energy: -533.764939 where: bonds (distance) C4'-P energy: -82.693 bonds (distance) P-C4' energy: -91.637 flat angles C4'-P-C4' energy: -113.179 flat angles P-C4'-P energy: -74.486 tors. eta vs tors. theta energy: -171.770 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: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1844.345834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.345834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.345834 (E_RNA) where: Base-Base interactions energy: -1324.135 where: short stacking energy: -595.927 Base-Backbone interact. energy: -1.694 local terms energy: -518.516578 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -94.174 flat angles C4'-P-C4' energy: -102.805 flat angles P-C4'-P energy: -74.751 tors. eta vs tors. theta energy: -161.828 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: 467 Temperature: 1.050000 Total energy: -1788.970587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.970587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.970587 (E_RNA) where: Base-Base interactions energy: -1260.379 where: short stacking energy: -585.632 Base-Backbone interact. energy: 2.215 local terms energy: -530.806546 where: bonds (distance) C4'-P energy: -95.359 bonds (distance) P-C4' energy: -100.690 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -75.641 tors. eta vs tors. theta energy: -154.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1731.999894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.999894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.999894 (E_RNA) where: Base-Base interactions energy: -1229.052 where: short stacking energy: -563.508 Base-Backbone interact. energy: -0.347 local terms energy: -502.600869 where: bonds (distance) C4'-P energy: -86.315 bonds (distance) P-C4' energy: -93.903 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -143.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1691.713331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.713331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.713331 (E_RNA) where: Base-Base interactions energy: -1230.893 where: short stacking energy: -553.967 Base-Backbone interact. energy: -0.824 local terms energy: -459.996004 where: bonds (distance) C4'-P energy: -79.896 bonds (distance) P-C4' energy: -74.392 flat angles C4'-P-C4' energy: -98.442 flat angles P-C4'-P energy: -66.839 tors. eta vs tors. theta energy: -140.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1671.762199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.762199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.762199 (E_RNA) where: Base-Base interactions energy: -1196.782 where: short stacking energy: -568.920 Base-Backbone interact. energy: 0.427 local terms energy: -475.407748 where: bonds (distance) C4'-P energy: -87.441 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -102.758 flat angles P-C4'-P energy: -65.066 tors. eta vs tors. theta energy: -151.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1614.349194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.349194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.349194 (E_RNA) where: Base-Base interactions energy: -1173.583 where: short stacking energy: -506.395 Base-Backbone interact. energy: -2.818 local terms energy: -437.948522 where: bonds (distance) C4'-P energy: -67.346 bonds (distance) P-C4' energy: -79.929 flat angles C4'-P-C4' energy: -97.128 flat angles P-C4'-P energy: -56.277 tors. eta vs tors. theta energy: -137.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1465.777948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.777948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.777948 (E_RNA) where: Base-Base interactions energy: -1044.821 where: short stacking energy: -481.579 Base-Backbone interact. energy: -2.823 local terms energy: -418.133574 where: bonds (distance) C4'-P energy: -81.275 bonds (distance) P-C4' energy: -69.559 flat angles C4'-P-C4' energy: -90.705 flat angles P-C4'-P energy: -47.179 tors. eta vs tors. theta energy: -129.416 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: 467 Temperature: 1.350000 Total energy: -1267.705211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.705211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.705211 (E_RNA) where: Base-Base interactions energy: -897.235 where: short stacking energy: -410.840 Base-Backbone interact. energy: -1.223 local terms energy: -369.247101 where: bonds (distance) C4'-P energy: -66.658 bonds (distance) P-C4' energy: -76.766 flat angles C4'-P-C4' energy: -70.073 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -100.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1980.129279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.129279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.129279 (E_RNA) where: Base-Base interactions energy: -1411.899 where: short stacking energy: -651.971 Base-Backbone interact. energy: -1.165 local terms energy: -567.065995 where: bonds (distance) C4'-P energy: -97.587 bonds (distance) P-C4' energy: -99.946 flat angles C4'-P-C4' energy: -115.433 flat angles P-C4'-P energy: -80.431 tors. eta vs tors. theta energy: -173.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1905.130281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.130281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.130281 (E_RNA) where: Base-Base interactions energy: -1365.922 where: short stacking energy: -624.478 Base-Backbone interact. energy: -0.828 local terms energy: -538.380572 where: bonds (distance) C4'-P energy: -91.914 bonds (distance) P-C4' energy: -98.984 flat angles C4'-P-C4' energy: -104.938 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: -166.025 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: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1835.504350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.504350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.504350 (E_RNA) where: Base-Base interactions energy: -1311.969 where: short stacking energy: -572.293 Base-Backbone interact. energy: -0.871 local terms energy: -522.664267 where: bonds (distance) C4'-P energy: -90.018 bonds (distance) P-C4' energy: -93.008 flat angles C4'-P-C4' energy: -105.497 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -158.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1798.106902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.106902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.106902 (E_RNA) where: Base-Base interactions energy: -1287.313 where: short stacking energy: -598.892 Base-Backbone interact. energy: -0.357 local terms energy: -510.436637 where: bonds (distance) C4'-P energy: -86.591 bonds (distance) P-C4' energy: -80.226 flat angles C4'-P-C4' energy: -110.428 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -157.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1733.431647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.431647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.431647 (E_RNA) where: Base-Base interactions energy: -1247.538 where: short stacking energy: -540.548 Base-Backbone interact. energy: -2.537 local terms energy: -483.356813 where: bonds (distance) C4'-P energy: -86.218 bonds (distance) P-C4' energy: -90.235 flat angles C4'-P-C4' energy: -102.227 flat angles P-C4'-P energy: -55.282 tors. eta vs tors. theta energy: -149.395 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: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1666.792597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.792597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.792597 (E_RNA) where: Base-Base interactions energy: -1214.688 where: short stacking energy: -534.661 Base-Backbone interact. energy: -0.931 local terms energy: -451.173752 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -80.267 flat angles C4'-P-C4' energy: -98.349 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: -145.357 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: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1675.171708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.171708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.171708 (E_RNA) where: Base-Base interactions energy: -1217.744 where: short stacking energy: -579.795 Base-Backbone interact. energy: -3.535 local terms energy: -453.893072 where: bonds (distance) C4'-P energy: -66.160 bonds (distance) P-C4' energy: -73.919 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -64.035 tors. eta vs tors. theta energy: -154.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1617.732763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.732763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.732763 (E_RNA) where: Base-Base interactions energy: -1193.307 where: short stacking energy: -506.538 Base-Backbone interact. energy: -1.376 local terms energy: -423.049702 where: bonds (distance) C4'-P energy: -83.145 bonds (distance) P-C4' energy: -77.387 flat angles C4'-P-C4' energy: -76.317 flat angles P-C4'-P energy: -51.011 tors. eta vs tors. theta energy: -135.190 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: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1521.524305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.524305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.524305 (E_RNA) where: Base-Base interactions energy: -1059.683 where: short stacking energy: -511.615 Base-Backbone interact. energy: -1.562 local terms energy: -460.279321 where: bonds (distance) C4'-P energy: -91.016 bonds (distance) P-C4' energy: -88.554 flat angles C4'-P-C4' energy: -95.604 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -132.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1298.583269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.583269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.583269 (E_RNA) where: Base-Base interactions energy: -893.104 where: short stacking energy: -434.908 Base-Backbone interact. energy: -0.542 local terms energy: -404.937383 where: bonds (distance) C4'-P energy: -79.231 bonds (distance) P-C4' energy: -85.845 flat angles C4'-P-C4' energy: -86.732 flat angles P-C4'-P energy: -43.276 tors. eta vs tors. theta energy: -109.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1977.466300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.466300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.466300 (E_RNA) where: Base-Base interactions energy: -1422.752 where: short stacking energy: -640.108 Base-Backbone interact. energy: -0.899 local terms energy: -553.815308 where: bonds (distance) C4'-P energy: -91.880 bonds (distance) P-C4' energy: -90.504 flat angles C4'-P-C4' energy: -112.378 flat angles P-C4'-P energy: -84.197 tors. eta vs tors. theta energy: -174.856 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: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1910.203091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.203091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.203091 (E_RNA) where: Base-Base interactions energy: -1371.382 where: short stacking energy: -618.098 Base-Backbone interact. energy: -1.296 local terms energy: -537.525353 where: bonds (distance) C4'-P energy: -94.089 bonds (distance) P-C4' energy: -89.296 flat angles C4'-P-C4' energy: -116.763 flat angles P-C4'-P energy: -74.719 tors. eta vs tors. theta energy: -162.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1839.367524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.367524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.367524 (E_RNA) where: Base-Base interactions energy: -1320.863 where: short stacking energy: -591.063 Base-Backbone interact. energy: -1.730 local terms energy: -516.774176 where: bonds (distance) C4'-P energy: -96.638 bonds (distance) P-C4' energy: -83.463 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -61.175 tors. eta vs tors. theta energy: -164.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1788.414759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.414759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.414759 (E_RNA) where: Base-Base interactions energy: -1298.667 where: short stacking energy: -587.043 Base-Backbone interact. energy: 2.384 local terms energy: -492.131934 where: bonds (distance) C4'-P energy: -90.136 bonds (distance) P-C4' energy: -75.200 flat angles C4'-P-C4' energy: -107.164 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -156.340 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: 469 Temperature: 1.100000 Total energy: -1730.630742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.630742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.630742 (E_RNA) where: Base-Base interactions energy: -1254.857 where: short stacking energy: -571.872 Base-Backbone interact. energy: -0.898 local terms energy: -474.875898 where: bonds (distance) C4'-P energy: -81.481 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -88.685 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: -150.680 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: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1678.996100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.996100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.996100 (E_RNA) where: Base-Base interactions energy: -1198.585 where: short stacking energy: -544.710 Base-Backbone interact. energy: 0.258 local terms energy: -480.669104 where: bonds (distance) C4'-P energy: -81.054 bonds (distance) P-C4' energy: -83.894 flat angles C4'-P-C4' energy: -97.995 flat angles P-C4'-P energy: -72.957 tors. eta vs tors. theta energy: -144.769 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: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1642.382297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.382297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.382297 (E_RNA) where: Base-Base interactions energy: -1158.897 where: short stacking energy: -540.479 Base-Backbone interact. energy: -2.570 local terms energy: -480.914417 where: bonds (distance) C4'-P energy: -82.143 bonds (distance) P-C4' energy: -92.982 flat angles C4'-P-C4' energy: -102.213 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -148.272 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: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1624.694835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.694835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.694835 (E_RNA) where: Base-Base interactions energy: -1175.380 where: short stacking energy: -540.970 Base-Backbone interact. energy: -2.725 local terms energy: -446.589418 where: bonds (distance) C4'-P energy: -69.959 bonds (distance) P-C4' energy: -76.329 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -61.543 tors. eta vs tors. theta energy: -137.672 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: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1497.108748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.108748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.108748 (E_RNA) where: Base-Base interactions energy: -1042.008 where: short stacking energy: -486.288 Base-Backbone interact. energy: 4.689 local terms energy: -459.789720 where: bonds (distance) C4'-P energy: -79.752 bonds (distance) P-C4' energy: -86.389 flat angles C4'-P-C4' energy: -98.630 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -128.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1315.180244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.180244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.180244 (E_RNA) where: Base-Base interactions energy: -925.880 where: short stacking energy: -432.074 Base-Backbone interact. energy: 4.105 local terms energy: -393.404844 where: bonds (distance) C4'-P energy: -73.698 bonds (distance) P-C4' energy: -88.505 flat angles C4'-P-C4' energy: -91.391 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: -101.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1962.122723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.122723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.122723 (E_RNA) where: Base-Base interactions energy: -1406.215 where: short stacking energy: -629.081 Base-Backbone interact. energy: -1.574 local terms energy: -554.333308 where: bonds (distance) C4'-P energy: -96.479 bonds (distance) P-C4' energy: -93.447 flat angles C4'-P-C4' energy: -113.330 flat angles P-C4'-P energy: -84.186 tors. eta vs tors. theta energy: -166.891 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: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1910.584820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.584820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.584820 (E_RNA) where: Base-Base interactions energy: -1378.643 where: short stacking energy: -610.006 Base-Backbone interact. energy: -0.840 local terms energy: -531.101659 where: bonds (distance) C4'-P energy: -80.151 bonds (distance) P-C4' energy: -94.770 flat angles C4'-P-C4' energy: -107.936 flat angles P-C4'-P energy: -77.726 tors. eta vs tors. theta energy: -170.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1839.210676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.210676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.210676 (E_RNA) where: Base-Base interactions energy: -1312.634 where: short stacking energy: -581.799 Base-Backbone interact. energy: -0.232 local terms energy: -526.343991 where: bonds (distance) C4'-P energy: -88.645 bonds (distance) P-C4' energy: -97.357 flat angles C4'-P-C4' energy: -105.759 flat angles P-C4'-P energy: -70.022 tors. eta vs tors. theta energy: -164.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1775.451817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.451817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.451817 (E_RNA) where: Base-Base interactions energy: -1291.199 where: short stacking energy: -585.984 Base-Backbone interact. energy: -0.883 local terms energy: -483.370120 where: bonds (distance) C4'-P energy: -82.869 bonds (distance) P-C4' energy: -79.368 flat angles C4'-P-C4' energy: -104.818 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -157.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1728.925267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.925267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.925267 (E_RNA) where: Base-Base interactions energy: -1252.552 where: short stacking energy: -566.867 Base-Backbone interact. energy: -0.471 local terms energy: -475.901461 where: bonds (distance) C4'-P energy: -80.858 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -97.835 flat angles P-C4'-P energy: -62.068 tors. eta vs tors. theta energy: -149.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1676.594507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.594507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.594507 (E_RNA) where: Base-Base interactions energy: -1198.367 where: short stacking energy: -520.608 Base-Backbone interact. energy: -0.980 local terms energy: -477.247421 where: bonds (distance) C4'-P energy: -91.202 bonds (distance) P-C4' energy: -75.875 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -146.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1645.007270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.007270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.007270 (E_RNA) where: Base-Base interactions energy: -1197.560 where: short stacking energy: -532.773 Base-Backbone interact. energy: -0.551 local terms energy: -446.896056 where: bonds (distance) C4'-P energy: -67.872 bonds (distance) P-C4' energy: -90.368 flat angles C4'-P-C4' energy: -90.104 flat angles P-C4'-P energy: -61.407 tors. eta vs tors. theta energy: -137.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1553.768469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.768469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.768469 (E_RNA) where: Base-Base interactions energy: -1109.230 where: short stacking energy: -508.127 Base-Backbone interact. energy: -2.491 local terms energy: -442.047690 where: bonds (distance) C4'-P energy: -90.618 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -94.753 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -137.418 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: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1482.960384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.960384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.960384 (E_RNA) where: Base-Base interactions energy: -1038.968 where: short stacking energy: -484.409 Base-Backbone interact. energy: -2.219 local terms energy: -441.773425 where: bonds (distance) C4'-P energy: -87.142 bonds (distance) P-C4' energy: -66.261 flat angles C4'-P-C4' energy: -97.175 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -126.210 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: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1341.774851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.774851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.774851 (E_RNA) where: Base-Base interactions energy: -934.269 where: short stacking energy: -451.799 Base-Backbone interact. energy: -0.268 local terms energy: -407.237574 where: bonds (distance) C4'-P energy: -64.131 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -96.551 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: -116.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1980.451146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.451146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.451146 (E_RNA) where: Base-Base interactions energy: -1425.084 where: short stacking energy: -652.346 Base-Backbone interact. energy: -2.627 local terms energy: -552.740161 where: bonds (distance) C4'-P energy: -96.844 bonds (distance) P-C4' energy: -87.438 flat angles C4'-P-C4' energy: -112.970 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: -171.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1899.101710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.101710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.101710 (E_RNA) where: Base-Base interactions energy: -1364.347 where: short stacking energy: -638.304 Base-Backbone interact. energy: -0.062 local terms energy: -534.692986 where: bonds (distance) C4'-P energy: -94.021 bonds (distance) P-C4' energy: -93.365 flat angles C4'-P-C4' energy: -110.253 flat angles P-C4'-P energy: -71.500 tors. eta vs tors. theta energy: -165.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1814.143765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.143765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.143765 (E_RNA) where: Base-Base interactions energy: -1291.459 where: short stacking energy: -568.514 Base-Backbone interact. energy: -1.675 local terms energy: -521.010078 where: bonds (distance) C4'-P energy: -102.944 bonds (distance) P-C4' energy: -78.752 flat angles C4'-P-C4' energy: -109.412 flat angles P-C4'-P energy: -74.526 tors. eta vs tors. theta energy: -155.377 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: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1777.682975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.682975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.682975 (E_RNA) where: Base-Base interactions energy: -1276.441 where: short stacking energy: -573.762 Base-Backbone interact. energy: -2.419 local terms energy: -498.823010 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -113.349 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -146.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1727.333848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.333848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.333848 (E_RNA) where: Base-Base interactions energy: -1224.943 where: short stacking energy: -567.374 Base-Backbone interact. energy: -1.761 local terms energy: -500.630411 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -87.775 flat angles C4'-P-C4' energy: -107.603 flat angles P-C4'-P energy: -76.934 tors. eta vs tors. theta energy: -148.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1687.824893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.824893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.824893 (E_RNA) where: Base-Base interactions energy: -1223.880 where: short stacking energy: -558.725 Base-Backbone interact. energy: -0.384 local terms energy: -463.561121 where: bonds (distance) C4'-P energy: -83.846 bonds (distance) P-C4' energy: -74.152 flat angles C4'-P-C4' energy: -108.839 flat angles P-C4'-P energy: -56.676 tors. eta vs tors. theta energy: -140.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1650.536107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.536107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.536107 (E_RNA) where: Base-Base interactions energy: -1214.982 where: short stacking energy: -531.559 Base-Backbone interact. energy: -0.548 local terms energy: -435.005972 where: bonds (distance) C4'-P energy: -76.873 bonds (distance) P-C4' energy: -68.754 flat angles C4'-P-C4' energy: -92.278 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: -149.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1538.649413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.649413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.649413 (E_RNA) where: Base-Base interactions energy: -1096.939 where: short stacking energy: -520.991 Base-Backbone interact. energy: -0.671 local terms energy: -441.039421 where: bonds (distance) C4'-P energy: -65.228 bonds (distance) P-C4' energy: -90.768 flat angles C4'-P-C4' energy: -93.184 flat angles P-C4'-P energy: -57.797 tors. eta vs tors. theta energy: -134.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1479.953305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.953305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.953305 (E_RNA) where: Base-Base interactions energy: -1053.979 where: short stacking energy: -481.607 Base-Backbone interact. energy: -0.781 local terms energy: -425.193285 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -93.551 flat angles C4'-P-C4' energy: -86.377 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -118.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1298.807477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.807477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.807477 (E_RNA) where: Base-Base interactions energy: -940.825 where: short stacking energy: -446.378 Base-Backbone interact. energy: -0.835 local terms energy: -357.147914 where: bonds (distance) C4'-P energy: -49.716 bonds (distance) P-C4' energy: -54.469 flat angles C4'-P-C4' energy: -80.247 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: -114.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1966.308773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.308773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.308773 (E_RNA) where: Base-Base interactions energy: -1400.430 where: short stacking energy: -650.354 Base-Backbone interact. energy: -2.289 local terms energy: -563.588927 where: bonds (distance) C4'-P energy: -96.871 bonds (distance) P-C4' energy: -90.002 flat angles C4'-P-C4' energy: -116.703 flat angles P-C4'-P energy: -82.065 tors. eta vs tors. theta energy: -177.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1922.840742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.840742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.840742 (E_RNA) where: Base-Base interactions energy: -1385.527 where: short stacking energy: -633.306 Base-Backbone interact. energy: -0.580 local terms energy: -536.733528 where: bonds (distance) C4'-P energy: -99.936 bonds (distance) P-C4' energy: -95.776 flat angles C4'-P-C4' energy: -106.509 flat angles P-C4'-P energy: -69.159 tors. eta vs tors. theta energy: -165.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1844.750293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.750293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.750293 (E_RNA) where: Base-Base interactions energy: -1332.778 where: short stacking energy: -601.856 Base-Backbone interact. energy: 1.076 local terms energy: -513.048378 where: bonds (distance) C4'-P energy: -86.678 bonds (distance) P-C4' energy: -80.481 flat angles C4'-P-C4' energy: -106.294 flat angles P-C4'-P energy: -76.095 tors. eta vs tors. theta energy: -163.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1783.813574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.813574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.813574 (E_RNA) where: Base-Base interactions energy: -1287.830 where: short stacking energy: -580.627 Base-Backbone interact. energy: -0.015 local terms energy: -495.967981 where: bonds (distance) C4'-P energy: -82.917 bonds (distance) P-C4' energy: -90.371 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -70.638 tors. eta vs tors. theta energy: -148.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1725.444951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.444951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.444951 (E_RNA) where: Base-Base interactions energy: -1247.392 where: short stacking energy: -562.559 Base-Backbone interact. energy: -1.425 local terms energy: -476.628085 where: bonds (distance) C4'-P energy: -83.663 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -60.803 tors. eta vs tors. theta energy: -148.265 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: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1654.376994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.376994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.376994 (E_RNA) where: Base-Base interactions energy: -1201.728 where: short stacking energy: -515.730 Base-Backbone interact. energy: -2.308 local terms energy: -450.340829 where: bonds (distance) C4'-P energy: -82.667 bonds (distance) P-C4' energy: -78.560 flat angles C4'-P-C4' energy: -97.133 flat angles P-C4'-P energy: -50.161 tors. eta vs tors. theta energy: -141.821 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: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1640.539616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.539616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.539616 (E_RNA) where: Base-Base interactions energy: -1153.789 where: short stacking energy: -526.640 Base-Backbone interact. energy: -1.342 local terms energy: -485.408198 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -92.711 flat angles C4'-P-C4' energy: -105.407 flat angles P-C4'-P energy: -67.344 tors. eta vs tors. theta energy: -146.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1521.192391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.192391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.192391 (E_RNA) where: Base-Base interactions energy: -1059.983 where: short stacking energy: -497.013 Base-Backbone interact. energy: -3.592 local terms energy: -457.617183 where: bonds (distance) C4'-P energy: -94.137 bonds (distance) P-C4' energy: -66.543 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: -125.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1501.061574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.061574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.061574 (E_RNA) where: Base-Base interactions energy: -1072.839 where: short stacking energy: -513.668 Base-Backbone interact. energy: 1.738 local terms energy: -429.960087 where: bonds (distance) C4'-P energy: -71.021 bonds (distance) P-C4' energy: -70.304 flat angles C4'-P-C4' energy: -87.359 flat angles P-C4'-P energy: -61.002 tors. eta vs tors. theta energy: -140.274 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: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1365.428372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.428372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.428372 (E_RNA) where: Base-Base interactions energy: -953.000 where: short stacking energy: -456.498 Base-Backbone interact. energy: -1.904 local terms energy: -410.524262 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -88.240 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -111.889 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: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1972.508742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.508742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.508742 (E_RNA) where: Base-Base interactions energy: -1396.264 where: short stacking energy: -636.884 Base-Backbone interact. energy: -0.958 local terms energy: -575.286398 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -104.238 flat angles C4'-P-C4' energy: -112.944 flat angles P-C4'-P energy: -84.152 tors. eta vs tors. theta energy: -174.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1901.849284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.849284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.849284 (E_RNA) where: Base-Base interactions energy: -1377.462 where: short stacking energy: -620.560 Base-Backbone interact. energy: -1.621 local terms energy: -522.766874 where: bonds (distance) C4'-P energy: -76.188 bonds (distance) P-C4' energy: -91.110 flat angles C4'-P-C4' energy: -116.179 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -164.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1857.832891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.832891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.832891 (E_RNA) where: Base-Base interactions energy: -1327.071 where: short stacking energy: -602.677 Base-Backbone interact. energy: -1.312 local terms energy: -529.449663 where: bonds (distance) C4'-P energy: -90.750 bonds (distance) P-C4' energy: -96.539 flat angles C4'-P-C4' energy: -108.341 flat angles P-C4'-P energy: -69.774 tors. eta vs tors. theta energy: -164.046 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: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1790.444967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.444967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.444967 (E_RNA) where: Base-Base interactions energy: -1278.013 where: short stacking energy: -589.877 Base-Backbone interact. energy: 1.806 local terms energy: -514.238175 where: bonds (distance) C4'-P energy: -93.735 bonds (distance) P-C4' energy: -84.375 flat angles C4'-P-C4' energy: -109.813 flat angles P-C4'-P energy: -75.245 tors. eta vs tors. theta energy: -151.071 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: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1758.419883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.419883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.419883 (E_RNA) where: Base-Base interactions energy: -1268.954 where: short stacking energy: -583.097 Base-Backbone interact. energy: 0.468 local terms energy: -489.933186 where: bonds (distance) C4'-P energy: -98.313 bonds (distance) P-C4' energy: -78.967 flat angles C4'-P-C4' energy: -95.999 flat angles P-C4'-P energy: -62.138 tors. eta vs tors. theta energy: -154.516 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: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1684.854414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.854414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.854414 (E_RNA) where: Base-Base interactions energy: -1228.866 where: short stacking energy: -525.874 Base-Backbone interact. energy: -2.523 local terms energy: -453.465595 where: bonds (distance) C4'-P energy: -70.621 bonds (distance) P-C4' energy: -82.687 flat angles C4'-P-C4' energy: -97.540 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: -144.337 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: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1601.912858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.912858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.912858 (E_RNA) where: Base-Base interactions energy: -1165.752 where: short stacking energy: -512.929 Base-Backbone interact. energy: -0.877 local terms energy: -435.283182 where: bonds (distance) C4'-P energy: -74.924 bonds (distance) P-C4' energy: -78.990 flat angles C4'-P-C4' energy: -90.924 flat angles P-C4'-P energy: -52.190 tors. eta vs tors. theta energy: -138.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1517.219895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.219895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.219895 (E_RNA) where: Base-Base interactions energy: -1060.978 where: short stacking energy: -510.444 Base-Backbone interact. energy: -0.467 local terms energy: -455.774617 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -80.039 flat angles C4'-P-C4' energy: -100.332 flat angles P-C4'-P energy: -76.503 tors. eta vs tors. theta energy: -135.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1492.224319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.224319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.224319 (E_RNA) where: Base-Base interactions energy: -1080.579 where: short stacking energy: -463.841 Base-Backbone interact. energy: -1.312 local terms energy: -410.333025 where: bonds (distance) C4'-P energy: -64.303 bonds (distance) P-C4' energy: -81.330 flat angles C4'-P-C4' energy: -92.930 flat angles P-C4'-P energy: -46.970 tors. eta vs tors. theta energy: -124.799 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: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1341.824080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.824080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.824080 (E_RNA) where: Base-Base interactions energy: -950.254 where: short stacking energy: -458.876 Base-Backbone interact. energy: -0.427 local terms energy: -391.143124 where: bonds (distance) C4'-P energy: -77.518 bonds (distance) P-C4' energy: -78.661 flat angles C4'-P-C4' energy: -86.509 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -107.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1998.930236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.930236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.930236 (E_RNA) where: Base-Base interactions energy: -1424.639 where: short stacking energy: -640.895 Base-Backbone interact. energy: -1.609 local terms energy: -572.681795 where: bonds (distance) C4'-P energy: -100.632 bonds (distance) P-C4' energy: -89.875 flat angles C4'-P-C4' energy: -123.867 flat angles P-C4'-P energy: -80.485 tors. eta vs tors. theta energy: -177.823 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: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1920.211843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.211843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.211843 (E_RNA) where: Base-Base interactions energy: -1386.160 where: short stacking energy: -631.025 Base-Backbone interact. energy: -1.851 local terms energy: -532.199975 where: bonds (distance) C4'-P energy: -90.457 bonds (distance) P-C4' energy: -99.175 flat angles C4'-P-C4' energy: -103.555 flat angles P-C4'-P energy: -70.107 tors. eta vs tors. theta energy: -168.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1814.582165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.582165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.582165 (E_RNA) where: Base-Base interactions energy: -1303.529 where: short stacking energy: -586.955 Base-Backbone interact. energy: -2.003 local terms energy: -509.050322 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -105.163 flat angles P-C4'-P energy: -63.855 tors. eta vs tors. theta energy: -160.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1773.476410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.476410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.476410 (E_RNA) where: Base-Base interactions energy: -1273.977 where: short stacking energy: -583.552 Base-Backbone interact. energy: -3.193 local terms energy: -496.306731 where: bonds (distance) C4'-P energy: -71.044 bonds (distance) P-C4' energy: -107.447 flat angles C4'-P-C4' energy: -111.988 flat angles P-C4'-P energy: -55.605 tors. eta vs tors. theta energy: -150.221 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: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1745.737655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.737655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.737655 (E_RNA) where: Base-Base interactions energy: -1253.362 where: short stacking energy: -588.936 Base-Backbone interact. energy: -1.110 local terms energy: -491.265637 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -81.973 flat angles C4'-P-C4' energy: -106.558 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -151.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1687.061229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.061229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.061229 (E_RNA) where: Base-Base interactions energy: -1217.698 where: short stacking energy: -551.180 Base-Backbone interact. energy: -0.392 local terms energy: -468.970536 where: bonds (distance) C4'-P energy: -81.128 bonds (distance) P-C4' energy: -79.559 flat angles C4'-P-C4' energy: -99.557 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -145.543 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: 474 Temperature: 1.200000 Total energy: -1603.710036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.710036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.710036 (E_RNA) where: Base-Base interactions energy: -1145.879 where: short stacking energy: -489.132 Base-Backbone interact. energy: 0.049 local terms energy: -457.879430 where: bonds (distance) C4'-P energy: -74.294 bonds (distance) P-C4' energy: -80.989 flat angles C4'-P-C4' energy: -101.222 flat angles P-C4'-P energy: -62.847 tors. eta vs tors. theta energy: -138.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1555.768729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.768729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.768729 (E_RNA) where: Base-Base interactions energy: -1136.727 where: short stacking energy: -535.529 Base-Backbone interact. energy: -0.907 local terms energy: -418.134080 where: bonds (distance) C4'-P energy: -59.461 bonds (distance) P-C4' energy: -62.999 flat angles C4'-P-C4' energy: -99.315 flat angles P-C4'-P energy: -61.303 tors. eta vs tors. theta energy: -135.056 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: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1477.676243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.676243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.676243 (E_RNA) where: Base-Base interactions energy: -1042.909 where: short stacking energy: -472.852 Base-Backbone interact. energy: -1.710 local terms energy: -433.056984 where: bonds (distance) C4'-P energy: -66.371 bonds (distance) P-C4' energy: -83.516 flat angles C4'-P-C4' energy: -100.072 flat angles P-C4'-P energy: -54.287 tors. eta vs tors. theta energy: -128.812 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: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1301.594824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.594824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.594824 (E_RNA) where: Base-Base interactions energy: -928.369 where: short stacking energy: -445.883 Base-Backbone interact. energy: 0.015 local terms energy: -373.240929 where: bonds (distance) C4'-P energy: -82.017 bonds (distance) P-C4' energy: -47.223 flat angles C4'-P-C4' energy: -82.833 flat angles P-C4'-P energy: -58.022 tors. eta vs tors. theta energy: -103.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1966.822968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.822968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.822968 (E_RNA) where: Base-Base interactions energy: -1411.043 where: short stacking energy: -622.320 Base-Backbone interact. energy: -1.357 local terms energy: -554.422581 where: bonds (distance) C4'-P energy: -86.294 bonds (distance) P-C4' energy: -105.616 flat angles C4'-P-C4' energy: -111.639 flat angles P-C4'-P energy: -79.936 tors. eta vs tors. theta energy: -170.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1906.748790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.748790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.748790 (E_RNA) where: Base-Base interactions energy: -1373.800 where: short stacking energy: -617.595 Base-Backbone interact. energy: -2.674 local terms energy: -530.275015 where: bonds (distance) C4'-P energy: -91.311 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -109.955 flat angles P-C4'-P energy: -66.634 tors. eta vs tors. theta energy: -172.128 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: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1833.208827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.208827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.208827 (E_RNA) where: Base-Base interactions energy: -1319.032 where: short stacking energy: -584.849 Base-Backbone interact. energy: -3.458 local terms energy: -510.718866 where: bonds (distance) C4'-P energy: -79.066 bonds (distance) P-C4' energy: -92.589 flat angles C4'-P-C4' energy: -111.078 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -159.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1767.648250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.648250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.648250 (E_RNA) where: Base-Base interactions energy: -1267.677 where: short stacking energy: -563.975 Base-Backbone interact. energy: -1.377 local terms energy: -498.594368 where: bonds (distance) C4'-P energy: -79.328 bonds (distance) P-C4' energy: -90.230 flat angles C4'-P-C4' energy: -107.184 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -150.111 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: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1739.149442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.149442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.149442 (E_RNA) where: Base-Base interactions energy: -1253.277 where: short stacking energy: -554.224 Base-Backbone interact. energy: -0.776 local terms energy: -485.096115 where: bonds (distance) C4'-P energy: -80.337 bonds (distance) P-C4' energy: -79.570 flat angles C4'-P-C4' energy: -110.422 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -152.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1694.546037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.546037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.546037 (E_RNA) where: Base-Base interactions energy: -1236.546 where: short stacking energy: -552.598 Base-Backbone interact. energy: -0.212 local terms energy: -457.787787 where: bonds (distance) C4'-P energy: -60.443 bonds (distance) P-C4' energy: -78.775 flat angles C4'-P-C4' energy: -109.846 flat angles P-C4'-P energy: -59.453 tors. eta vs tors. theta energy: -149.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1612.541158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.541158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.541158 (E_RNA) where: Base-Base interactions energy: -1186.705 where: short stacking energy: -517.247 Base-Backbone interact. energy: -1.514 local terms energy: -424.322143 where: bonds (distance) C4'-P energy: -68.281 bonds (distance) P-C4' energy: -78.134 flat angles C4'-P-C4' energy: -99.814 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: -133.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1584.844018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.844018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.844018 (E_RNA) where: Base-Base interactions energy: -1107.135 where: short stacking energy: -521.064 Base-Backbone interact. energy: 5.830 local terms energy: -483.538980 where: bonds (distance) C4'-P energy: -86.108 bonds (distance) P-C4' energy: -81.601 flat angles C4'-P-C4' energy: -103.952 flat angles P-C4'-P energy: -65.201 tors. eta vs tors. theta energy: -146.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1421.931862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.931862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.931862 (E_RNA) where: Base-Base interactions energy: -1006.157 where: short stacking energy: -460.356 Base-Backbone interact. energy: -2.275 local terms energy: -413.500193 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -82.953 flat angles C4'-P-C4' energy: -91.610 flat angles P-C4'-P energy: -55.801 tors. eta vs tors. theta energy: -112.542 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: 475 Temperature: 1.350000 Total energy: -1286.260049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.260049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.260049 (E_RNA) where: Base-Base interactions energy: -917.260 where: short stacking energy: -450.627 Base-Backbone interact. energy: 0.285 local terms energy: -369.285469 where: bonds (distance) C4'-P energy: -52.503 bonds (distance) P-C4' energy: -58.276 flat angles C4'-P-C4' energy: -95.547 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: -119.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1984.246872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.246872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.246872 (E_RNA) where: Base-Base interactions energy: -1424.107 where: short stacking energy: -654.131 Base-Backbone interact. energy: -0.822 local terms energy: -559.317606 where: bonds (distance) C4'-P energy: -95.165 bonds (distance) P-C4' energy: -94.177 flat angles C4'-P-C4' energy: -117.276 flat angles P-C4'-P energy: -79.607 tors. eta vs tors. theta energy: -173.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1902.737334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.737334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.737334 (E_RNA) where: Base-Base interactions energy: -1366.691 where: short stacking energy: -616.275 Base-Backbone interact. energy: -0.065 local terms energy: -535.981647 where: bonds (distance) C4'-P energy: -89.185 bonds (distance) P-C4' energy: -93.160 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -77.391 tors. eta vs tors. theta energy: -169.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1834.389280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.389280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.389280 (E_RNA) where: Base-Base interactions energy: -1325.049 where: short stacking energy: -600.833 Base-Backbone interact. energy: -2.588 local terms energy: -506.751783 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -94.614 flat angles C4'-P-C4' energy: -105.711 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -165.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1768.867994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.867994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.867994 (E_RNA) where: Base-Base interactions energy: -1267.536 where: short stacking energy: -590.212 Base-Backbone interact. energy: -1.897 local terms energy: -499.434637 where: bonds (distance) C4'-P energy: -93.205 bonds (distance) P-C4' energy: -89.855 flat angles C4'-P-C4' energy: -102.665 flat angles P-C4'-P energy: -55.403 tors. eta vs tors. theta energy: -158.308 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: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1748.849151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.849151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.849151 (E_RNA) where: Base-Base interactions energy: -1268.655 where: short stacking energy: -575.253 Base-Backbone interact. energy: -1.100 local terms energy: -479.094388 where: bonds (distance) C4'-P energy: -82.989 bonds (distance) P-C4' energy: -79.882 flat angles C4'-P-C4' energy: -95.423 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: -154.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1688.397583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.397583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.397583 (E_RNA) where: Base-Base interactions energy: -1222.776 where: short stacking energy: -548.059 Base-Backbone interact. energy: -1.568 local terms energy: -464.053605 where: bonds (distance) C4'-P energy: -80.596 bonds (distance) P-C4' energy: -68.150 flat angles C4'-P-C4' energy: -103.726 flat angles P-C4'-P energy: -66.786 tors. eta vs tors. theta energy: -144.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1613.922959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.922959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.922959 (E_RNA) where: Base-Base interactions energy: -1141.821 where: short stacking energy: -535.355 Base-Backbone interact. energy: -0.995 local terms energy: -471.106653 where: bonds (distance) C4'-P energy: -66.188 bonds (distance) P-C4' energy: -87.443 flat angles C4'-P-C4' energy: -102.755 flat angles P-C4'-P energy: -67.843 tors. eta vs tors. theta energy: -146.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1593.525736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.525736 (E_RNA) where: Base-Base interactions energy: -1154.947 where: short stacking energy: -520.203 Base-Backbone interact. energy: -0.805 local terms energy: -437.774041 where: bonds (distance) C4'-P energy: -80.907 bonds (distance) P-C4' energy: -71.923 flat angles C4'-P-C4' energy: -80.824 flat angles P-C4'-P energy: -65.793 tors. eta vs tors. theta energy: -138.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1505.244067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.244067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.244067 (E_RNA) where: Base-Base interactions energy: -1067.733 where: short stacking energy: -494.481 Base-Backbone interact. energy: 0.955 local terms energy: -438.465794 where: bonds (distance) C4'-P energy: -82.872 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -105.088 flat angles P-C4'-P energy: -57.928 tors. eta vs tors. theta energy: -129.036 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: 10, replica: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1309.890869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.890869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.890869 (E_RNA) where: Base-Base interactions energy: -919.765 where: short stacking energy: -427.036 Base-Backbone interact. energy: -0.320 local terms energy: -389.806049 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -85.156 flat angles P-C4'-P energy: -47.613 tors. eta vs tors. theta energy: -111.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1984.713141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.713141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.713141 (E_RNA) where: Base-Base interactions energy: -1433.107 where: short stacking energy: -644.544 Base-Backbone interact. energy: -0.610 local terms energy: -550.996293 where: bonds (distance) C4'-P energy: -96.856 bonds (distance) P-C4' energy: -88.737 flat angles C4'-P-C4' energy: -112.547 flat angles P-C4'-P energy: -82.088 tors. eta vs tors. theta energy: -170.767 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: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1923.339382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.339382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.339382 (E_RNA) where: Base-Base interactions energy: -1371.683 where: short stacking energy: -631.142 Base-Backbone interact. energy: -1.254 local terms energy: -550.401923 where: bonds (distance) C4'-P energy: -93.686 bonds (distance) P-C4' energy: -92.273 flat angles C4'-P-C4' energy: -110.040 flat angles P-C4'-P energy: -80.991 tors. eta vs tors. theta energy: -173.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1859.318050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.318050 (E_RNA) where: Base-Base interactions energy: -1343.183 where: short stacking energy: -607.888 Base-Backbone interact. energy: -0.129 local terms energy: -516.006186 where: bonds (distance) C4'-P energy: -91.477 bonds (distance) P-C4' energy: -85.505 flat angles C4'-P-C4' energy: -115.938 flat angles P-C4'-P energy: -64.461 tors. eta vs tors. theta energy: -158.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1762.649418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.649418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.649418 (E_RNA) where: Base-Base interactions energy: -1256.826 where: short stacking energy: -568.666 Base-Backbone interact. energy: -2.195 local terms energy: -503.628536 where: bonds (distance) C4'-P energy: -92.150 bonds (distance) P-C4' energy: -91.323 flat angles C4'-P-C4' energy: -108.753 flat angles P-C4'-P energy: -64.256 tors. eta vs tors. theta energy: -147.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1738.356979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.356979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.356979 (E_RNA) where: Base-Base interactions energy: -1246.344 where: short stacking energy: -552.482 Base-Backbone interact. energy: 1.960 local terms energy: -493.973128 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -83.318 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -77.080 tors. eta vs tors. theta energy: -153.109 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: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1679.060970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.060970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.060970 (E_RNA) where: Base-Base interactions energy: -1197.648 where: short stacking energy: -538.093 Base-Backbone interact. energy: -5.643 local terms energy: -475.770203 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -82.613 flat angles C4'-P-C4' energy: -102.451 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -145.564 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: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1584.599320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.599320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.599320 (E_RNA) where: Base-Base interactions energy: -1146.054 where: short stacking energy: -538.308 Base-Backbone interact. energy: -0.317 local terms energy: -438.228524 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -76.822 flat angles C4'-P-C4' energy: -90.101 flat angles P-C4'-P energy: -55.524 tors. eta vs tors. theta energy: -151.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1584.381851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.381851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.381851 (E_RNA) where: Base-Base interactions energy: -1164.319 where: short stacking energy: -516.988 Base-Backbone interact. energy: -0.465 local terms energy: -419.597936 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -64.317 flat angles C4'-P-C4' energy: -83.061 flat angles P-C4'-P energy: -68.588 tors. eta vs tors. theta energy: -142.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1485.341201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.341201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.341201 (E_RNA) where: Base-Base interactions energy: -1054.895 where: short stacking energy: -484.238 Base-Backbone interact. energy: -1.052 local terms energy: -429.394204 where: bonds (distance) C4'-P energy: -71.818 bonds (distance) P-C4' energy: -81.281 flat angles C4'-P-C4' energy: -94.288 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: -128.411 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: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1270.070857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.070857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.070857 (E_RNA) where: Base-Base interactions energy: -886.258 where: short stacking energy: -402.445 Base-Backbone interact. energy: -0.864 local terms energy: -382.948824 where: bonds (distance) C4'-P energy: -73.334 bonds (distance) P-C4' energy: -69.975 flat angles C4'-P-C4' energy: -78.931 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -102.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1974.769534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.769534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.769534 (E_RNA) where: Base-Base interactions energy: -1423.291 where: short stacking energy: -647.901 Base-Backbone interact. energy: -1.514 local terms energy: -549.964179 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -96.648 flat angles C4'-P-C4' energy: -113.020 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -175.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1906.475456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.475456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.475456 (E_RNA) where: Base-Base interactions energy: -1360.024 where: short stacking energy: -607.363 Base-Backbone interact. energy: -0.755 local terms energy: -545.696824 where: bonds (distance) C4'-P energy: -98.923 bonds (distance) P-C4' energy: -90.662 flat angles C4'-P-C4' energy: -104.911 flat angles P-C4'-P energy: -84.962 tors. eta vs tors. theta energy: -166.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1855.056660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.056660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.056660 (E_RNA) where: Base-Base interactions energy: -1331.077 where: short stacking energy: -609.272 Base-Backbone interact. energy: -0.655 local terms energy: -523.324918 where: bonds (distance) C4'-P energy: -91.524 bonds (distance) P-C4' energy: -96.593 flat angles C4'-P-C4' energy: -101.963 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -157.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1767.648782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.648782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.648782 (E_RNA) where: Base-Base interactions energy: -1268.647 where: short stacking energy: -589.081 Base-Backbone interact. energy: 1.829 local terms energy: -500.831064 where: bonds (distance) C4'-P energy: -80.794 bonds (distance) P-C4' energy: -96.393 flat angles C4'-P-C4' energy: -99.113 flat angles P-C4'-P energy: -63.755 tors. eta vs tors. theta energy: -160.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1737.818205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.818205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.818205 (E_RNA) where: Base-Base interactions energy: -1239.166 where: short stacking energy: -552.563 Base-Backbone interact. energy: -0.380 local terms energy: -498.272894 where: bonds (distance) C4'-P energy: -84.680 bonds (distance) P-C4' energy: -84.381 flat angles C4'-P-C4' energy: -102.976 flat angles P-C4'-P energy: -70.127 tors. eta vs tors. theta energy: -156.109 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: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1704.376040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.376040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.376040 (E_RNA) where: Base-Base interactions energy: -1216.535 where: short stacking energy: -543.014 Base-Backbone interact. energy: -0.744 local terms energy: -487.097023 where: bonds (distance) C4'-P energy: -72.131 bonds (distance) P-C4' energy: -83.901 flat angles C4'-P-C4' energy: -107.201 flat angles P-C4'-P energy: -70.115 tors. eta vs tors. theta energy: -153.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1598.051992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.051992 (E_RNA) where: Base-Base interactions energy: -1130.666 where: short stacking energy: -521.372 Base-Backbone interact. energy: -2.294 local terms energy: -465.091280 where: bonds (distance) C4'-P energy: -81.901 bonds (distance) P-C4' energy: -74.276 flat angles C4'-P-C4' energy: -93.452 flat angles P-C4'-P energy: -64.496 tors. eta vs tors. theta energy: -150.965 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: 8, replica: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1586.757821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.757821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.757821 (E_RNA) where: Base-Base interactions energy: -1152.711 where: short stacking energy: -521.358 Base-Backbone interact. energy: -4.746 local terms energy: -429.300625 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -87.560 flat angles P-C4'-P energy: -56.022 tors. eta vs tors. theta energy: -133.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1533.417726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.417726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.417726 (E_RNA) where: Base-Base interactions energy: -1098.368 where: short stacking energy: -510.715 Base-Backbone interact. energy: -2.918 local terms energy: -432.131280 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -62.404 flat angles C4'-P-C4' energy: -89.531 flat angles P-C4'-P energy: -60.639 tors. eta vs tors. theta energy: -133.224 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: 478 Temperature: 1.350000 Total energy: -1332.977658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.977658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.977658 (E_RNA) where: Base-Base interactions energy: -942.901 where: short stacking energy: -431.658 Base-Backbone interact. energy: -2.171 local terms energy: -387.905238 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -78.014 flat angles P-C4'-P energy: -64.781 tors. eta vs tors. theta energy: -97.209 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: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1973.647978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.647978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.647978 (E_RNA) where: Base-Base interactions energy: -1406.704 where: short stacking energy: -636.124 Base-Backbone interact. energy: -2.362 local terms energy: -564.582582 where: bonds (distance) C4'-P energy: -104.024 bonds (distance) P-C4' energy: -89.603 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -86.198 tors. eta vs tors. theta energy: -174.482 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: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1878.846932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.846932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.846932 (E_RNA) where: Base-Base interactions energy: -1355.614 where: short stacking energy: -611.467 Base-Backbone interact. energy: -2.328 local terms energy: -520.905304 where: bonds (distance) C4'-P energy: -90.912 bonds (distance) P-C4' energy: -101.700 flat angles C4'-P-C4' energy: -106.514 flat angles P-C4'-P energy: -67.025 tors. eta vs tors. theta energy: -154.754 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: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1883.601626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.601626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.601626 (E_RNA) where: Base-Base interactions energy: -1365.940 where: short stacking energy: -617.347 Base-Backbone interact. energy: -1.725 local terms energy: -515.936870 where: bonds (distance) C4'-P energy: -80.335 bonds (distance) P-C4' energy: -88.924 flat angles C4'-P-C4' energy: -112.688 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -166.222 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: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1747.903065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.903065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.903065 (E_RNA) where: Base-Base interactions energy: -1251.012 where: short stacking energy: -576.006 Base-Backbone interact. energy: -1.970 local terms energy: -494.921292 where: bonds (distance) C4'-P energy: -86.281 bonds (distance) P-C4' energy: -87.184 flat angles C4'-P-C4' energy: -101.965 flat angles P-C4'-P energy: -61.367 tors. eta vs tors. theta energy: -158.125 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: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1736.858631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.858631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.858631 (E_RNA) where: Base-Base interactions energy: -1269.896 where: short stacking energy: -563.199 Base-Backbone interact. energy: -1.409 local terms energy: -465.553772 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -83.106 flat angles C4'-P-C4' energy: -101.204 flat angles P-C4'-P energy: -67.734 tors. eta vs tors. theta energy: -144.808 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: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1686.589757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.589757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.589757 (E_RNA) where: Base-Base interactions energy: -1217.837 where: short stacking energy: -528.230 Base-Backbone interact. energy: -2.084 local terms energy: -466.668434 where: bonds (distance) C4'-P energy: -76.370 bonds (distance) P-C4' energy: -84.671 flat angles C4'-P-C4' energy: -95.918 flat angles P-C4'-P energy: -65.172 tors. eta vs tors. theta energy: -144.538 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: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1603.810774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.810774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.810774 (E_RNA) where: Base-Base interactions energy: -1121.520 where: short stacking energy: -530.756 Base-Backbone interact. energy: -0.546 local terms energy: -481.744095 where: bonds (distance) C4'-P energy: -84.943 bonds (distance) P-C4' energy: -93.659 flat angles C4'-P-C4' energy: -100.784 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -144.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1599.212288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.212288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.212288 (E_RNA) where: Base-Base interactions energy: -1162.538 where: short stacking energy: -502.820 Base-Backbone interact. energy: -0.705 local terms energy: -435.968960 where: bonds (distance) C4'-P energy: -71.153 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -62.426 tors. eta vs tors. theta energy: -131.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1460.583898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.583898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.583898 (E_RNA) where: Base-Base interactions energy: -1010.514 where: short stacking energy: -475.408 Base-Backbone interact. energy: -0.092 local terms energy: -449.977325 where: bonds (distance) C4'-P energy: -79.738 bonds (distance) P-C4' energy: -81.623 flat angles C4'-P-C4' energy: -94.869 flat angles P-C4'-P energy: -58.257 tors. eta vs tors. theta energy: -135.490 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: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1304.713090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.713090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.713090 (E_RNA) where: Base-Base interactions energy: -918.745 where: short stacking energy: -441.762 Base-Backbone interact. energy: 5.606 local terms energy: -391.573986 where: bonds (distance) C4'-P energy: -62.842 bonds (distance) P-C4' energy: -76.105 flat angles C4'-P-C4' energy: -91.387 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: -107.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1988.080938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.080938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.080938 (E_RNA) where: Base-Base interactions energy: -1430.809 where: short stacking energy: -627.418 Base-Backbone interact. energy: -1.235 local terms energy: -556.037557 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -96.244 flat angles C4'-P-C4' energy: -114.597 flat angles P-C4'-P energy: -80.350 tors. eta vs tors. theta energy: -176.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1874.317428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.317428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.317428 (E_RNA) where: Base-Base interactions energy: -1336.237 where: short stacking energy: -609.539 Base-Backbone interact. energy: -3.250 local terms energy: -534.831101 where: bonds (distance) C4'-P energy: -97.094 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -81.256 tors. eta vs tors. theta energy: -164.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1895.097124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.097124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.097124 (E_RNA) where: Base-Base interactions energy: -1367.556 where: short stacking energy: -619.774 Base-Backbone interact. energy: -1.948 local terms energy: -525.593267 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -92.546 flat angles C4'-P-C4' energy: -114.870 flat angles P-C4'-P energy: -62.762 tors. eta vs tors. theta energy: -165.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1781.806675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.806675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.806675 (E_RNA) where: Base-Base interactions energy: -1282.288 where: short stacking energy: -583.478 Base-Backbone interact. energy: -0.699 local terms energy: -498.820192 where: bonds (distance) C4'-P energy: -84.002 bonds (distance) P-C4' energy: -94.446 flat angles C4'-P-C4' energy: -93.825 flat angles P-C4'-P energy: -68.810 tors. eta vs tors. theta energy: -157.737 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: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1752.337656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.337656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.337656 (E_RNA) where: Base-Base interactions energy: -1261.256 where: short stacking energy: -580.031 Base-Backbone interact. energy: -0.120 local terms energy: -490.961417 where: bonds (distance) C4'-P energy: -88.929 bonds (distance) P-C4' energy: -91.083 flat angles C4'-P-C4' energy: -98.573 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -151.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1699.159320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.159320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.159320 (E_RNA) where: Base-Base interactions energy: -1212.884 where: short stacking energy: -552.333 Base-Backbone interact. energy: -1.446 local terms energy: -484.829950 where: bonds (distance) C4'-P energy: -78.155 bonds (distance) P-C4' energy: -82.608 flat angles C4'-P-C4' energy: -113.280 flat angles P-C4'-P energy: -64.474 tors. eta vs tors. theta energy: -146.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1632.609681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.609681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.609681 (E_RNA) where: Base-Base interactions energy: -1180.918 where: short stacking energy: -517.421 Base-Backbone interact. energy: -1.037 local terms energy: -450.655348 where: bonds (distance) C4'-P energy: -72.870 bonds (distance) P-C4' energy: -70.038 flat angles C4'-P-C4' energy: -95.823 flat angles P-C4'-P energy: -69.600 tors. eta vs tors. theta energy: -142.324 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: 8, replica: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1630.701320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.701320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.701320 (E_RNA) where: Base-Base interactions energy: -1189.777 where: short stacking energy: -533.298 Base-Backbone interact. energy: 2.941 local terms energy: -443.865274 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -99.805 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: -140.370 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: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1521.884107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.884107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.884107 (E_RNA) where: Base-Base interactions energy: -1097.983 where: short stacking energy: -482.505 Base-Backbone interact. energy: -0.697 local terms energy: -423.204876 where: bonds (distance) C4'-P energy: -64.068 bonds (distance) P-C4' energy: -79.071 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -132.596 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: 480 Temperature: 1.350000 Total energy: -1227.520891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.520891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.520891 (E_RNA) where: Base-Base interactions energy: -866.353 where: short stacking energy: -389.310 Base-Backbone interact. energy: -0.677 local terms energy: -360.490903 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -79.595 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -37.096 tors. eta vs tors. theta energy: -96.757 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: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2007.572071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.572071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.572071 (E_RNA) where: Base-Base interactions energy: -1435.675 where: short stacking energy: -667.075 Base-Backbone interact. energy: -3.228 local terms energy: -568.669459 where: bonds (distance) C4'-P energy: -91.736 bonds (distance) P-C4' energy: -93.855 flat angles C4'-P-C4' energy: -126.159 flat angles P-C4'-P energy: -81.678 tors. eta vs tors. theta energy: -175.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1896.255060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.255060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.255060 (E_RNA) where: Base-Base interactions energy: -1370.104 where: short stacking energy: -616.488 Base-Backbone interact. energy: -1.841 local terms energy: -524.310076 where: bonds (distance) C4'-P energy: -92.263 bonds (distance) P-C4' energy: -83.328 flat angles C4'-P-C4' energy: -108.249 flat angles P-C4'-P energy: -70.926 tors. eta vs tors. theta energy: -169.544 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: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1852.226149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.226149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.226149 (E_RNA) where: Base-Base interactions energy: -1330.081 where: short stacking energy: -588.958 Base-Backbone interact. energy: -3.107 local terms energy: -519.038147 where: bonds (distance) C4'-P energy: -87.346 bonds (distance) P-C4' energy: -79.942 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -71.980 tors. eta vs tors. theta energy: -165.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1780.267610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.267610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.267610 (E_RNA) where: Base-Base interactions energy: -1259.698 where: short stacking energy: -572.579 Base-Backbone interact. energy: 0.940 local terms energy: -521.510206 where: bonds (distance) C4'-P energy: -92.210 bonds (distance) P-C4' energy: -89.863 flat angles C4'-P-C4' energy: -114.951 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -154.286 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: 481 Temperature: 1.100000 Total energy: -1780.587996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.587996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.587996 (E_RNA) where: Base-Base interactions energy: -1275.199 where: short stacking energy: -585.041 Base-Backbone interact. energy: -1.618 local terms energy: -503.770903 where: bonds (distance) C4'-P energy: -82.703 bonds (distance) P-C4' energy: -78.403 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -79.252 tors. eta vs tors. theta energy: -155.798 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: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1675.248541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.248541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.248541 (E_RNA) where: Base-Base interactions energy: -1211.299 where: short stacking energy: -558.772 Base-Backbone interact. energy: -0.858 local terms energy: -463.091789 where: bonds (distance) C4'-P energy: -81.202 bonds (distance) P-C4' energy: -80.415 flat angles C4'-P-C4' energy: -89.167 flat angles P-C4'-P energy: -70.745 tors. eta vs tors. theta energy: -141.563 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: 481 Temperature: 1.200000 Total energy: -1664.407149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.407149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.407149 (E_RNA) where: Base-Base interactions energy: -1216.795 where: short stacking energy: -546.680 Base-Backbone interact. energy: -1.474 local terms energy: -446.138375 where: bonds (distance) C4'-P energy: -75.503 bonds (distance) P-C4' energy: -51.175 flat angles C4'-P-C4' energy: -108.141 flat angles P-C4'-P energy: -64.448 tors. eta vs tors. theta energy: -146.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1614.880354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.880354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.880354 (E_RNA) where: Base-Base interactions energy: -1156.616 where: short stacking energy: -557.947 Base-Backbone interact. energy: 0.138 local terms energy: -458.402376 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -74.853 flat angles C4'-P-C4' energy: -103.411 flat angles P-C4'-P energy: -63.563 tors. eta vs tors. theta energy: -141.614 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: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1486.635661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.635661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.635661 (E_RNA) where: Base-Base interactions energy: -1082.271 where: short stacking energy: -474.950 Base-Backbone interact. energy: -1.138 local terms energy: -403.226640 where: bonds (distance) C4'-P energy: -80.641 bonds (distance) P-C4' energy: -64.562 flat angles C4'-P-C4' energy: -76.510 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: -122.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1245.167917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.167917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.167917 (E_RNA) where: Base-Base interactions energy: -866.885 where: short stacking energy: -437.184 Base-Backbone interact. energy: 1.999 local terms energy: -380.281940 where: bonds (distance) C4'-P energy: -52.917 bonds (distance) P-C4' energy: -65.627 flat angles C4'-P-C4' energy: -98.296 flat angles P-C4'-P energy: -62.304 tors. eta vs tors. theta energy: -101.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1968.463766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.463766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.463766 (E_RNA) where: Base-Base interactions energy: -1413.158 where: short stacking energy: -623.167 Base-Backbone interact. energy: -2.026 local terms energy: -553.279438 where: bonds (distance) C4'-P energy: -89.353 bonds (distance) P-C4' energy: -98.764 flat angles C4'-P-C4' energy: -113.922 flat angles P-C4'-P energy: -80.821 tors. eta vs tors. theta energy: -170.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1943.108520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.108520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.108520 (E_RNA) where: Base-Base interactions energy: -1404.162 where: short stacking energy: -638.103 Base-Backbone interact. energy: -1.778 local terms energy: -537.167967 where: bonds (distance) C4'-P energy: -78.199 bonds (distance) P-C4' energy: -104.401 flat angles C4'-P-C4' energy: -113.962 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: -170.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1835.941068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.941068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.941068 (E_RNA) where: Base-Base interactions energy: -1316.050 where: short stacking energy: -583.413 Base-Backbone interact. energy: -2.561 local terms energy: -517.329510 where: bonds (distance) C4'-P energy: -85.898 bonds (distance) P-C4' energy: -93.045 flat angles C4'-P-C4' energy: -104.090 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -162.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1790.226412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.226412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.226412 (E_RNA) where: Base-Base interactions energy: -1279.169 where: short stacking energy: -565.497 Base-Backbone interact. energy: -3.439 local terms energy: -507.618467 where: bonds (distance) C4'-P energy: -94.916 bonds (distance) P-C4' energy: -83.663 flat angles C4'-P-C4' energy: -103.391 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -152.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1732.434851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.434851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.434851 (E_RNA) where: Base-Base interactions energy: -1244.156 where: short stacking energy: -550.277 Base-Backbone interact. energy: -1.585 local terms energy: -486.693099 where: bonds (distance) C4'-P energy: -76.769 bonds (distance) P-C4' energy: -77.386 flat angles C4'-P-C4' energy: -102.483 flat angles P-C4'-P energy: -75.636 tors. eta vs tors. theta energy: -154.419 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: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1697.604207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.604207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.604207 (E_RNA) where: Base-Base interactions energy: -1216.906 where: short stacking energy: -544.653 Base-Backbone interact. energy: 0.756 local terms energy: -481.454433 where: bonds (distance) C4'-P energy: -82.256 bonds (distance) P-C4' energy: -86.765 flat angles C4'-P-C4' energy: -106.247 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -142.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1676.572524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.572524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.572524 (E_RNA) where: Base-Base interactions energy: -1230.660 where: short stacking energy: -561.007 Base-Backbone interact. energy: -0.511 local terms energy: -445.401854 where: bonds (distance) C4'-P energy: -65.777 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -98.300 flat angles P-C4'-P energy: -58.194 tors. eta vs tors. theta energy: -146.503 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: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1604.744269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.744269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.744269 (E_RNA) where: Base-Base interactions energy: -1149.351 where: short stacking energy: -533.176 Base-Backbone interact. energy: 2.319 local terms energy: -457.711488 where: bonds (distance) C4'-P energy: -77.292 bonds (distance) P-C4' energy: -80.074 flat angles C4'-P-C4' energy: -92.997 flat angles P-C4'-P energy: -56.403 tors. eta vs tors. theta energy: -150.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1506.058475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.058475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.058475 (E_RNA) where: Base-Base interactions energy: -1089.664 where: short stacking energy: -490.906 Base-Backbone interact. energy: -3.245 local terms energy: -413.148818 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -78.735 flat angles P-C4'-P energy: -62.123 tors. eta vs tors. theta energy: -131.468 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: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1258.675752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.675752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.675752 (E_RNA) where: Base-Base interactions energy: -890.120 where: short stacking energy: -431.628 Base-Backbone interact. energy: 0.129 local terms energy: -368.685172 where: bonds (distance) C4'-P energy: -49.931 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -78.062 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: -108.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1986.242079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.242079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.242079 (E_RNA) where: Base-Base interactions energy: -1429.321 where: short stacking energy: -650.752 Base-Backbone interact. energy: -0.286 local terms energy: -556.635016 where: bonds (distance) C4'-P energy: -92.461 bonds (distance) P-C4' energy: -90.612 flat angles C4'-P-C4' energy: -116.754 flat angles P-C4'-P energy: -82.098 tors. eta vs tors. theta energy: -174.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1914.628399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.628399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.628399 (E_RNA) where: Base-Base interactions energy: -1363.161 where: short stacking energy: -611.518 Base-Backbone interact. energy: -2.232 local terms energy: -549.235126 where: bonds (distance) C4'-P energy: -87.397 bonds (distance) P-C4' energy: -96.043 flat angles C4'-P-C4' energy: -114.650 flat angles P-C4'-P energy: -82.224 tors. eta vs tors. theta energy: -168.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1846.366054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.366054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.366054 (E_RNA) where: Base-Base interactions energy: -1332.973 where: short stacking energy: -594.580 Base-Backbone interact. energy: -0.544 local terms energy: -512.848869 where: bonds (distance) C4'-P energy: -87.831 bonds (distance) P-C4' energy: -89.028 flat angles C4'-P-C4' energy: -101.050 flat angles P-C4'-P energy: -74.534 tors. eta vs tors. theta energy: -160.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1758.880602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.880602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.880602 (E_RNA) where: Base-Base interactions energy: -1272.697 where: short stacking energy: -566.220 Base-Backbone interact. energy: -1.817 local terms energy: -484.366796 where: bonds (distance) C4'-P energy: -79.428 bonds (distance) P-C4' energy: -81.287 flat angles C4'-P-C4' energy: -106.872 flat angles P-C4'-P energy: -64.074 tors. eta vs tors. theta energy: -152.705 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: 483 Temperature: 1.100000 Total energy: -1746.501544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.501544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.501544 (E_RNA) where: Base-Base interactions energy: -1262.682 where: short stacking energy: -579.903 Base-Backbone interact. energy: -1.929 local terms energy: -481.890788 where: bonds (distance) C4'-P energy: -83.602 bonds (distance) P-C4' energy: -68.060 flat angles C4'-P-C4' energy: -112.630 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -153.743 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: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1690.757299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.757299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.757299 (E_RNA) where: Base-Base interactions energy: -1203.154 where: short stacking energy: -539.562 Base-Backbone interact. energy: -0.299 local terms energy: -487.304388 where: bonds (distance) C4'-P energy: -101.349 bonds (distance) P-C4' energy: -73.361 flat angles C4'-P-C4' energy: -101.841 flat angles P-C4'-P energy: -64.658 tors. eta vs tors. theta energy: -146.096 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: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1630.674113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.674113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.674113 (E_RNA) where: Base-Base interactions energy: -1192.202 where: short stacking energy: -521.366 Base-Backbone interact. energy: -1.533 local terms energy: -436.939357 where: bonds (distance) C4'-P energy: -80.083 bonds (distance) P-C4' energy: -74.967 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -53.283 tors. eta vs tors. theta energy: -136.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1600.150435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.150435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.150435 (E_RNA) where: Base-Base interactions energy: -1142.523 where: short stacking energy: -534.368 Base-Backbone interact. energy: -0.973 local terms energy: -456.654617 where: bonds (distance) C4'-P energy: -77.891 bonds (distance) P-C4' energy: -73.838 flat angles C4'-P-C4' energy: -96.343 flat angles P-C4'-P energy: -68.553 tors. eta vs tors. theta energy: -140.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1506.262487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.262487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.262487 (E_RNA) where: Base-Base interactions energy: -1092.148 where: short stacking energy: -476.691 Base-Backbone interact. energy: 0.845 local terms energy: -414.959176 where: bonds (distance) C4'-P energy: -74.955 bonds (distance) P-C4' energy: -66.034 flat angles C4'-P-C4' energy: -91.484 flat angles P-C4'-P energy: -51.357 tors. eta vs tors. theta energy: -131.129 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: 483 Temperature: 1.350000 Total energy: -1254.598876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.598876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.598876 (E_RNA) where: Base-Base interactions energy: -869.536 where: short stacking energy: -405.291 Base-Backbone interact. energy: -0.087 local terms energy: -384.975458 where: bonds (distance) C4'-P energy: -60.691 bonds (distance) P-C4' energy: -91.328 flat angles C4'-P-C4' energy: -78.445 flat angles P-C4'-P energy: -56.707 tors. eta vs tors. theta energy: -97.805 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: 1, replica: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1972.298480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.298480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.298480 (E_RNA) where: Base-Base interactions energy: -1417.266 where: short stacking energy: -637.498 Base-Backbone interact. energy: -0.379 local terms energy: -554.653347 where: bonds (distance) C4'-P energy: -88.773 bonds (distance) P-C4' energy: -93.507 flat angles C4'-P-C4' energy: -120.220 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -173.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1916.533283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.533283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.533283 (E_RNA) where: Base-Base interactions energy: -1371.269 where: short stacking energy: -625.038 Base-Backbone interact. energy: -2.474 local terms energy: -542.790845 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -91.937 flat angles C4'-P-C4' energy: -112.695 flat angles P-C4'-P energy: -68.751 tors. eta vs tors. theta energy: -172.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1842.133469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.133469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.133469 (E_RNA) where: Base-Base interactions energy: -1325.990 where: short stacking energy: -580.593 Base-Backbone interact. energy: -3.123 local terms energy: -513.020087 where: bonds (distance) C4'-P energy: -82.715 bonds (distance) P-C4' energy: -96.538 flat angles C4'-P-C4' energy: -111.869 flat angles P-C4'-P energy: -63.186 tors. eta vs tors. theta energy: -158.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1765.146608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.146608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.146608 (E_RNA) where: Base-Base interactions energy: -1241.451 where: short stacking energy: -570.632 Base-Backbone interact. energy: -2.832 local terms energy: -520.863431 where: bonds (distance) C4'-P energy: -92.879 bonds (distance) P-C4' energy: -81.702 flat angles C4'-P-C4' energy: -115.504 flat angles P-C4'-P energy: -70.816 tors. eta vs tors. theta energy: -159.963 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: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1744.676531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.676531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.676531 (E_RNA) where: Base-Base interactions energy: -1228.402 where: short stacking energy: -557.207 Base-Backbone interact. energy: -3.215 local terms energy: -513.060101 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -89.786 flat angles C4'-P-C4' energy: -112.906 flat angles P-C4'-P energy: -77.054 tors. eta vs tors. theta energy: -156.079 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: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1697.514501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.514501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.514501 (E_RNA) where: Base-Base interactions energy: -1219.160 where: short stacking energy: -566.563 Base-Backbone interact. energy: -1.085 local terms energy: -477.268975 where: bonds (distance) C4'-P energy: -77.060 bonds (distance) P-C4' energy: -79.687 flat angles C4'-P-C4' energy: -107.662 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: -150.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1634.749770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.749770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.749770 (E_RNA) where: Base-Base interactions energy: -1185.305 where: short stacking energy: -538.754 Base-Backbone interact. energy: -3.935 local terms energy: -445.510341 where: bonds (distance) C4'-P energy: -71.982 bonds (distance) P-C4' energy: -84.358 flat angles C4'-P-C4' energy: -92.440 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -143.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1590.561272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.561272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.561272 (E_RNA) where: Base-Base interactions energy: -1129.215 where: short stacking energy: -533.979 Base-Backbone interact. energy: -1.287 local terms energy: -460.059596 where: bonds (distance) C4'-P energy: -85.074 bonds (distance) P-C4' energy: -66.074 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -63.624 tors. eta vs tors. theta energy: -144.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1501.472620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.472620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.472620 (E_RNA) where: Base-Base interactions energy: -1087.159 where: short stacking energy: -484.617 Base-Backbone interact. energy: 1.663 local terms energy: -415.976948 where: bonds (distance) C4'-P energy: -69.016 bonds (distance) P-C4' energy: -73.316 flat angles C4'-P-C4' energy: -92.504 flat angles P-C4'-P energy: -49.994 tors. eta vs tors. theta energy: -131.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1289.435819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.435819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.435819 (E_RNA) where: Base-Base interactions energy: -895.618 where: short stacking energy: -437.407 Base-Backbone interact. energy: -1.245 local terms energy: -392.572662 where: bonds (distance) C4'-P energy: -66.182 bonds (distance) P-C4' energy: -82.008 flat angles C4'-P-C4' energy: -83.125 flat angles P-C4'-P energy: -57.653 tors. eta vs tors. theta energy: -103.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1987.678342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.678342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.678342 (E_RNA) where: Base-Base interactions energy: -1445.832 where: short stacking energy: -659.678 Base-Backbone interact. energy: -0.241 local terms energy: -541.605269 where: bonds (distance) C4'-P energy: -94.617 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -109.457 flat angles P-C4'-P energy: -74.411 tors. eta vs tors. theta energy: -173.993 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: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1918.409854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.409854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.409854 (E_RNA) where: Base-Base interactions energy: -1388.448 where: short stacking energy: -620.342 Base-Backbone interact. energy: -1.229 local terms energy: -528.732212 where: bonds (distance) C4'-P energy: -85.657 bonds (distance) P-C4' energy: -89.231 flat angles C4'-P-C4' energy: -110.379 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -173.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1858.139553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.139553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.139553 (E_RNA) where: Base-Base interactions energy: -1344.092 where: short stacking energy: -598.623 Base-Backbone interact. energy: -0.053 local terms energy: -513.995080 where: bonds (distance) C4'-P energy: -91.360 bonds (distance) P-C4' energy: -91.957 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -162.838 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: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1816.681374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.681374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.681374 (E_RNA) where: Base-Base interactions energy: -1310.009 where: short stacking energy: -607.749 Base-Backbone interact. energy: -0.547 local terms energy: -506.126130 where: bonds (distance) C4'-P energy: -77.636 bonds (distance) P-C4' energy: -81.169 flat angles C4'-P-C4' energy: -109.991 flat angles P-C4'-P energy: -74.387 tors. eta vs tors. theta energy: -162.943 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: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1731.287925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.287925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.287925 (E_RNA) where: Base-Base interactions energy: -1258.696 where: short stacking energy: -562.013 Base-Backbone interact. energy: -0.123 local terms energy: -472.468278 where: bonds (distance) C4'-P energy: -78.228 bonds (distance) P-C4' energy: -79.312 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -151.507 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: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1726.614412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.614412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.614412 (E_RNA) where: Base-Base interactions energy: -1250.740 where: short stacking energy: -567.783 Base-Backbone interact. energy: -1.344 local terms energy: -474.530801 where: bonds (distance) C4'-P energy: -75.407 bonds (distance) P-C4' energy: -73.052 flat angles C4'-P-C4' energy: -108.627 flat angles P-C4'-P energy: -71.297 tors. eta vs tors. theta energy: -146.148 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: 7, replica: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1655.820619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.820619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.820619 (E_RNA) where: Base-Base interactions energy: -1198.831 where: short stacking energy: -533.420 Base-Backbone interact. energy: -2.248 local terms energy: -454.741696 where: bonds (distance) C4'-P energy: -73.789 bonds (distance) P-C4' energy: -71.316 flat angles C4'-P-C4' energy: -106.067 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -144.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1561.803490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.803490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.803490 (E_RNA) where: Base-Base interactions energy: -1142.110 where: short stacking energy: -517.435 Base-Backbone interact. energy: -0.325 local terms energy: -419.368171 where: bonds (distance) C4'-P energy: -74.235 bonds (distance) P-C4' energy: -77.768 flat angles C4'-P-C4' energy: -77.999 flat angles P-C4'-P energy: -51.061 tors. eta vs tors. theta energy: -138.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1535.927032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.927032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.927032 (E_RNA) where: Base-Base interactions energy: -1118.894 where: short stacking energy: -516.931 Base-Backbone interact. energy: -1.796 local terms energy: -415.237565 where: bonds (distance) C4'-P energy: -74.746 bonds (distance) P-C4' energy: -51.728 flat angles C4'-P-C4' energy: -89.048 flat angles P-C4'-P energy: -57.421 tors. eta vs tors. theta energy: -142.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1262.903944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.903944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.903944 (E_RNA) where: Base-Base interactions energy: -902.192 where: short stacking energy: -409.550 Base-Backbone interact. energy: 2.740 local terms energy: -363.451701 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -76.028 flat angles P-C4'-P energy: -40.575 tors. eta vs tors. theta energy: -100.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1976.366253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.366253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.366253 (E_RNA) where: Base-Base interactions energy: -1415.094 where: short stacking energy: -648.290 Base-Backbone interact. energy: -1.754 local terms energy: -559.517619 where: bonds (distance) C4'-P energy: -96.975 bonds (distance) P-C4' energy: -91.102 flat angles C4'-P-C4' energy: -116.620 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -171.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1919.528276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.528276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.528276 (E_RNA) where: Base-Base interactions energy: -1371.677 where: short stacking energy: -648.236 Base-Backbone interact. energy: -1.054 local terms energy: -546.797172 where: bonds (distance) C4'-P energy: -94.130 bonds (distance) P-C4' energy: -98.225 flat angles C4'-P-C4' energy: -113.066 flat angles P-C4'-P energy: -75.436 tors. eta vs tors. theta energy: -165.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1836.378758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.378758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.378758 (E_RNA) where: Base-Base interactions energy: -1324.790 where: short stacking energy: -601.053 Base-Backbone interact. energy: -1.197 local terms energy: -510.392017 where: bonds (distance) C4'-P energy: -79.646 bonds (distance) P-C4' energy: -85.035 flat angles C4'-P-C4' energy: -111.736 flat angles P-C4'-P energy: -70.423 tors. eta vs tors. theta energy: -163.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1758.171693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.171693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.171693 (E_RNA) where: Base-Base interactions energy: -1279.869 where: short stacking energy: -567.194 Base-Backbone interact. energy: -0.441 local terms energy: -477.861738 where: bonds (distance) C4'-P energy: -79.404 bonds (distance) P-C4' energy: -77.356 flat angles C4'-P-C4' energy: -104.589 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -149.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1706.056247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.056247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.056247 (E_RNA) where: Base-Base interactions energy: -1230.578 where: short stacking energy: -565.546 Base-Backbone interact. energy: -1.461 local terms energy: -474.017351 where: bonds (distance) C4'-P energy: -89.005 bonds (distance) P-C4' energy: -77.608 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -65.485 tors. eta vs tors. theta energy: -148.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1666.691142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.691142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.691142 (E_RNA) where: Base-Base interactions energy: -1201.989 where: short stacking energy: -531.131 Base-Backbone interact. energy: -3.318 local terms energy: -461.383898 where: bonds (distance) C4'-P energy: -83.232 bonds (distance) P-C4' energy: -72.561 flat angles C4'-P-C4' energy: -101.361 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -150.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1655.687481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.687481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.687481 (E_RNA) where: Base-Base interactions energy: -1224.614 where: short stacking energy: -552.412 Base-Backbone interact. energy: 3.161 local terms energy: -434.235051 where: bonds (distance) C4'-P energy: -81.304 bonds (distance) P-C4' energy: -62.831 flat angles C4'-P-C4' energy: -93.179 flat angles P-C4'-P energy: -60.326 tors. eta vs tors. theta energy: -136.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1567.211508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.211508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.211508 (E_RNA) where: Base-Base interactions energy: -1125.709 where: short stacking energy: -519.930 Base-Backbone interact. energy: -1.186 local terms energy: -440.316723 where: bonds (distance) C4'-P energy: -72.039 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -104.184 flat angles P-C4'-P energy: -45.590 tors. eta vs tors. theta energy: -140.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1560.903772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.903772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.903772 (E_RNA) where: Base-Base interactions energy: -1115.702 where: short stacking energy: -529.382 Base-Backbone interact. energy: -1.579 local terms energy: -443.623266 where: bonds (distance) C4'-P energy: -69.579 bonds (distance) P-C4' energy: -80.466 flat angles C4'-P-C4' energy: -85.756 flat angles P-C4'-P energy: -68.140 tors. eta vs tors. theta energy: -139.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1224.790960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.790960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.790960 (E_RNA) where: Base-Base interactions energy: -850.784 where: short stacking energy: -403.267 Base-Backbone interact. energy: 0.448 local terms energy: -374.455178 where: bonds (distance) C4'-P energy: -54.230 bonds (distance) P-C4' energy: -71.570 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -100.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1988.421975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.421975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.421975 (E_RNA) where: Base-Base interactions energy: -1430.327 where: short stacking energy: -652.691 Base-Backbone interact. energy: -0.450 local terms energy: -557.644980 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -92.711 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -83.456 tors. eta vs tors. theta energy: -173.649 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: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1927.126659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.126659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.126659 (E_RNA) where: Base-Base interactions energy: -1357.652 where: short stacking energy: -627.533 Base-Backbone interact. energy: -1.752 local terms energy: -567.722072 where: bonds (distance) C4'-P energy: -100.732 bonds (distance) P-C4' energy: -96.346 flat angles C4'-P-C4' energy: -111.873 flat angles P-C4'-P energy: -87.599 tors. eta vs tors. theta energy: -171.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1828.572199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.572199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.572199 (E_RNA) where: Base-Base interactions energy: -1310.292 where: short stacking energy: -600.701 Base-Backbone interact. energy: -0.180 local terms energy: -518.100471 where: bonds (distance) C4'-P energy: -84.401 bonds (distance) P-C4' energy: -86.619 flat angles C4'-P-C4' energy: -108.934 flat angles P-C4'-P energy: -76.567 tors. eta vs tors. theta energy: -161.578 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: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1771.791519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.791519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.791519 (E_RNA) where: Base-Base interactions energy: -1275.175 where: short stacking energy: -582.105 Base-Backbone interact. energy: -1.077 local terms energy: -495.539535 where: bonds (distance) C4'-P energy: -83.084 bonds (distance) P-C4' energy: -89.457 flat angles C4'-P-C4' energy: -111.653 flat angles P-C4'-P energy: -58.909 tors. eta vs tors. theta energy: -152.436 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: 2 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1734.667321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.667321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.667321 (E_RNA) where: Base-Base interactions energy: -1231.866 where: short stacking energy: -565.068 Base-Backbone interact. energy: -0.397 local terms energy: -502.404558 where: bonds (distance) C4'-P energy: -89.560 bonds (distance) P-C4' energy: -89.752 flat angles C4'-P-C4' energy: -103.844 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: -153.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1681.066775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.066775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.066775 (E_RNA) where: Base-Base interactions energy: -1225.597 where: short stacking energy: -534.065 Base-Backbone interact. energy: -0.225 local terms energy: -455.244838 where: bonds (distance) C4'-P energy: -69.223 bonds (distance) P-C4' energy: -84.039 flat angles C4'-P-C4' energy: -99.516 flat angles P-C4'-P energy: -61.033 tors. eta vs tors. theta energy: -141.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1606.414478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.414478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.414478 (E_RNA) where: Base-Base interactions energy: -1185.435 where: short stacking energy: -499.664 Base-Backbone interact. energy: -0.976 local terms energy: -420.003829 where: bonds (distance) C4'-P energy: -76.512 bonds (distance) P-C4' energy: -80.607 flat angles C4'-P-C4' energy: -83.036 flat angles P-C4'-P energy: -40.770 tors. eta vs tors. theta energy: -139.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1542.965884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.965884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.965884 (E_RNA) where: Base-Base interactions energy: -1072.406 where: short stacking energy: -522.824 Base-Backbone interact. energy: 0.797 local terms energy: -471.356693 where: bonds (distance) C4'-P energy: -74.897 bonds (distance) P-C4' energy: -85.223 flat angles C4'-P-C4' energy: -102.915 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -142.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1491.443699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.443699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.443699 (E_RNA) where: Base-Base interactions energy: -1069.527 where: short stacking energy: -478.637 Base-Backbone interact. energy: -1.869 local terms energy: -420.048007 where: bonds (distance) C4'-P energy: -77.265 bonds (distance) P-C4' energy: -77.675 flat angles C4'-P-C4' energy: -87.772 flat angles P-C4'-P energy: -53.824 tors. eta vs tors. theta energy: -123.512 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: 487 Temperature: 1.350000 Total energy: -1224.358641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.358641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.358641 (E_RNA) where: Base-Base interactions energy: -854.083 where: short stacking energy: -442.620 Base-Backbone interact. energy: 0.148 local terms energy: -370.423900 where: bonds (distance) C4'-P energy: -77.669 bonds (distance) P-C4' energy: -57.056 flat angles C4'-P-C4' energy: -82.806 flat angles P-C4'-P energy: -53.537 tors. eta vs tors. theta energy: -99.356 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: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1996.875414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.875414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.875414 (E_RNA) where: Base-Base interactions energy: -1436.629 where: short stacking energy: -662.183 Base-Backbone interact. energy: -1.135 local terms energy: -559.110784 where: bonds (distance) C4'-P energy: -98.798 bonds (distance) P-C4' energy: -84.223 flat angles C4'-P-C4' energy: -116.046 flat angles P-C4'-P energy: -88.419 tors. eta vs tors. theta energy: -171.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1927.434611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.434611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.434611 (E_RNA) where: Base-Base interactions energy: -1386.675 where: short stacking energy: -638.194 Base-Backbone interact. energy: -1.005 local terms energy: -539.754982 where: bonds (distance) C4'-P energy: -85.154 bonds (distance) P-C4' energy: -100.616 flat angles C4'-P-C4' energy: -107.465 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -171.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1848.810380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.810380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.810380 (E_RNA) where: Base-Base interactions energy: -1328.799 where: short stacking energy: -610.263 Base-Backbone interact. energy: -1.151 local terms energy: -518.860416 where: bonds (distance) C4'-P energy: -88.550 bonds (distance) P-C4' energy: -93.255 flat angles C4'-P-C4' energy: -107.299 flat angles P-C4'-P energy: -72.776 tors. eta vs tors. theta energy: -156.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1759.147638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.147638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.147638 (E_RNA) where: Base-Base interactions energy: -1266.493 where: short stacking energy: -590.695 Base-Backbone interact. energy: -0.430 local terms energy: -492.224724 where: bonds (distance) C4'-P energy: -101.133 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -103.524 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: -151.981 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: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1701.881722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.881722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.881722 (E_RNA) where: Base-Base interactions energy: -1209.094 where: short stacking energy: -552.173 Base-Backbone interact. energy: -1.199 local terms energy: -491.588824 where: bonds (distance) C4'-P energy: -91.965 bonds (distance) P-C4' energy: -86.504 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -66.145 tors. eta vs tors. theta energy: -144.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1692.019789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.019789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.019789 (E_RNA) where: Base-Base interactions energy: -1223.135 where: short stacking energy: -568.542 Base-Backbone interact. energy: -0.372 local terms energy: -468.512925 where: bonds (distance) C4'-P energy: -80.773 bonds (distance) P-C4' energy: -81.329 flat angles C4'-P-C4' energy: -102.249 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -144.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1601.308859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.308859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.308859 (E_RNA) where: Base-Base interactions energy: -1161.258 where: short stacking energy: -526.852 Base-Backbone interact. energy: -3.205 local terms energy: -436.846079 where: bonds (distance) C4'-P energy: -69.073 bonds (distance) P-C4' energy: -85.316 flat angles C4'-P-C4' energy: -97.727 flat angles P-C4'-P energy: -56.187 tors. eta vs tors. theta energy: -128.543 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: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1598.686253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.686253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.686253 (E_RNA) where: Base-Base interactions energy: -1130.058 where: short stacking energy: -524.185 Base-Backbone interact. energy: -1.584 local terms energy: -467.043801 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -92.400 flat angles C4'-P-C4' energy: -100.492 flat angles P-C4'-P energy: -52.793 tors. eta vs tors. theta energy: -139.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1479.562931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.562931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.562931 (E_RNA) where: Base-Base interactions energy: -1065.769 where: short stacking energy: -486.957 Base-Backbone interact. energy: -1.347 local terms energy: -412.447115 where: bonds (distance) C4'-P energy: -75.520 bonds (distance) P-C4' energy: -81.985 flat angles C4'-P-C4' energy: -84.054 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -123.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1304.554096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.554096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.554096 (E_RNA) where: Base-Base interactions energy: -914.989 where: short stacking energy: -433.306 Base-Backbone interact. energy: -1.865 local terms energy: -387.699752 where: bonds (distance) C4'-P energy: -77.550 bonds (distance) P-C4' energy: -70.369 flat angles C4'-P-C4' energy: -82.169 flat angles P-C4'-P energy: -55.824 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1974.009476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.009476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.009476 (E_RNA) where: Base-Base interactions energy: -1415.781 where: short stacking energy: -630.479 Base-Backbone interact. energy: -1.721 local terms energy: -556.507890 where: bonds (distance) C4'-P energy: -95.486 bonds (distance) P-C4' energy: -103.862 flat angles C4'-P-C4' energy: -109.677 flat angles P-C4'-P energy: -77.076 tors. eta vs tors. theta energy: -170.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1911.042517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.042517 (E_RNA) where: Base-Base interactions energy: -1367.959 where: short stacking energy: -623.843 Base-Backbone interact. energy: -0.130 local terms energy: -542.953542 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -94.553 flat angles C4'-P-C4' energy: -106.785 flat angles P-C4'-P energy: -74.119 tors. eta vs tors. theta energy: -169.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1847.626776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.626776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.626776 (E_RNA) where: Base-Base interactions energy: -1316.323 where: short stacking energy: -584.594 Base-Backbone interact. energy: -1.613 local terms energy: -529.691435 where: bonds (distance) C4'-P energy: -97.418 bonds (distance) P-C4' energy: -94.734 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -69.905 tors. eta vs tors. theta energy: -157.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1770.625645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.625645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.625645 (E_RNA) where: Base-Base interactions energy: -1255.534 where: short stacking energy: -571.904 Base-Backbone interact. energy: -1.160 local terms energy: -513.931261 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -83.986 flat angles C4'-P-C4' energy: -108.559 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -161.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1687.733480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.733480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.733480 (E_RNA) where: Base-Base interactions energy: -1218.610 where: short stacking energy: -565.524 Base-Backbone interact. energy: 2.279 local terms energy: -471.402039 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -78.799 flat angles C4'-P-C4' energy: -99.550 flat angles P-C4'-P energy: -64.888 tors. eta vs tors. theta energy: -149.263 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: 6, replica: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1679.057337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.057337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.057337 (E_RNA) where: Base-Base interactions energy: -1207.879 where: short stacking energy: -573.896 Base-Backbone interact. energy: -2.050 local terms energy: -469.128496 where: bonds (distance) C4'-P energy: -76.048 bonds (distance) P-C4' energy: -75.527 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -151.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1623.218597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.218597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.218597 (E_RNA) where: Base-Base interactions energy: -1169.815 where: short stacking energy: -528.716 Base-Backbone interact. energy: -1.825 local terms energy: -451.578756 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -78.722 flat angles C4'-P-C4' energy: -103.921 flat angles P-C4'-P energy: -66.884 tors. eta vs tors. theta energy: -143.522 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: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1547.800217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.800217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.800217 (E_RNA) where: Base-Base interactions energy: -1102.994 where: short stacking energy: -481.245 Base-Backbone interact. energy: 1.502 local terms energy: -446.307762 where: bonds (distance) C4'-P energy: -80.757 bonds (distance) P-C4' energy: -94.075 flat angles C4'-P-C4' energy: -85.982 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: -131.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1528.518583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.518583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.518583 (E_RNA) where: Base-Base interactions energy: -1104.251 where: short stacking energy: -529.955 Base-Backbone interact. energy: -1.094 local terms energy: -423.174039 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -65.062 flat angles C4'-P-C4' energy: -88.168 flat angles P-C4'-P energy: -58.055 tors. eta vs tors. theta energy: -134.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1294.537251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.537251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.537251 (E_RNA) where: Base-Base interactions energy: -897.618 where: short stacking energy: -409.151 Base-Backbone interact. energy: -2.253 local terms energy: -394.666041 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -80.240 flat angles C4'-P-C4' energy: -88.086 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -106.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1988.177447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.177447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.177447 (E_RNA) where: Base-Base interactions energy: -1427.099 where: short stacking energy: -646.435 Base-Backbone interact. energy: -2.380 local terms energy: -558.697876 where: bonds (distance) C4'-P energy: -99.803 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -113.578 flat angles P-C4'-P energy: -82.061 tors. eta vs tors. theta energy: -170.425 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: 6 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1932.019097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.019097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.019097 (E_RNA) where: Base-Base interactions energy: -1391.845 where: short stacking energy: -629.438 Base-Backbone interact. energy: -1.098 local terms energy: -539.076998 where: bonds (distance) C4'-P energy: -87.644 bonds (distance) P-C4' energy: -99.053 flat angles C4'-P-C4' energy: -106.686 flat angles P-C4'-P energy: -72.904 tors. eta vs tors. theta energy: -172.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1851.999344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.999344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.999344 (E_RNA) where: Base-Base interactions energy: -1312.285 where: short stacking energy: -588.815 Base-Backbone interact. energy: 0.014 local terms energy: -539.728033 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -100.218 flat angles C4'-P-C4' energy: -107.514 flat angles P-C4'-P energy: -79.776 tors. eta vs tors. theta energy: -161.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1747.228234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.228234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.228234 (E_RNA) where: Base-Base interactions energy: -1239.037 where: short stacking energy: -566.896 Base-Backbone interact. energy: -0.716 local terms energy: -507.475200 where: bonds (distance) C4'-P energy: -84.715 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -103.922 flat angles P-C4'-P energy: -76.150 tors. eta vs tors. theta energy: -149.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1738.139684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.139684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.139684 (E_RNA) where: Base-Base interactions energy: -1253.508 where: short stacking energy: -558.615 Base-Backbone interact. energy: -2.233 local terms energy: -482.398527 where: bonds (distance) C4'-P energy: -87.819 bonds (distance) P-C4' energy: -77.380 flat angles C4'-P-C4' energy: -97.300 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -154.656 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: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1687.709899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.709899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.709899 (E_RNA) where: Base-Base interactions energy: -1195.123 where: short stacking energy: -551.581 Base-Backbone interact. energy: -0.900 local terms energy: -491.686603 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -77.881 flat angles C4'-P-C4' energy: -106.927 flat angles P-C4'-P energy: -57.748 tors. eta vs tors. theta energy: -156.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1660.502997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.502997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.502997 (E_RNA) where: Base-Base interactions energy: -1183.508 where: short stacking energy: -552.119 Base-Backbone interact. energy: 0.150 local terms energy: -477.144825 where: bonds (distance) C4'-P energy: -82.713 bonds (distance) P-C4' energy: -87.667 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -153.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1549.227369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.227369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.227369 (E_RNA) where: Base-Base interactions energy: -1114.553 where: short stacking energy: -515.670 Base-Backbone interact. energy: -0.752 local terms energy: -433.922393 where: bonds (distance) C4'-P energy: -75.586 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -89.470 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: -133.252 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: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1511.131011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.131011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.131011 (E_RNA) where: Base-Base interactions energy: -1057.242 where: short stacking energy: -488.595 Base-Backbone interact. energy: -0.935 local terms energy: -452.954040 where: bonds (distance) C4'-P energy: -91.729 bonds (distance) P-C4' energy: -87.657 flat angles C4'-P-C4' energy: -88.891 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -136.149 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: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1228.437085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.437085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.437085 (E_RNA) where: Base-Base interactions energy: -866.123 where: short stacking energy: -396.314 Base-Backbone interact. energy: -2.474 local terms energy: -359.840329 where: bonds (distance) C4'-P energy: -57.187 bonds (distance) P-C4' energy: -77.518 flat angles C4'-P-C4' energy: -76.417 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -104.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1973.259070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.259070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.259070 (E_RNA) where: Base-Base interactions energy: -1428.387 where: short stacking energy: -648.899 Base-Backbone interact. energy: -1.763 local terms energy: -543.108377 where: bonds (distance) C4'-P energy: -87.182 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -114.045 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -168.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1917.164211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.164211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.164211 (E_RNA) where: Base-Base interactions energy: -1384.478 where: short stacking energy: -644.445 Base-Backbone interact. energy: -1.059 local terms energy: -531.627350 where: bonds (distance) C4'-P energy: -86.345 bonds (distance) P-C4' energy: -100.071 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: -164.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1850.153130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.153130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.153130 (E_RNA) where: Base-Base interactions energy: -1335.548 where: short stacking energy: -608.605 Base-Backbone interact. energy: -0.923 local terms energy: -513.682305 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -81.783 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -68.270 tors. eta vs tors. theta energy: -161.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1768.489090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.489090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.489090 (E_RNA) where: Base-Base interactions energy: -1267.262 where: short stacking energy: -568.547 Base-Backbone interact. energy: -0.705 local terms energy: -500.522413 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -95.734 flat angles C4'-P-C4' energy: -101.589 flat angles P-C4'-P energy: -73.858 tors. eta vs tors. theta energy: -150.685 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: 491 Temperature: 1.100000 Total energy: -1724.363528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.363528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.363528 (E_RNA) where: Base-Base interactions energy: -1238.807 where: short stacking energy: -560.344 Base-Backbone interact. energy: -1.873 local terms energy: -483.683776 where: bonds (distance) C4'-P energy: -87.607 bonds (distance) P-C4' energy: -84.123 flat angles C4'-P-C4' energy: -101.755 flat angles P-C4'-P energy: -57.933 tors. eta vs tors. theta energy: -152.265 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: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1687.961883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.961883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.961883 (E_RNA) where: Base-Base interactions energy: -1216.673 where: short stacking energy: -535.634 Base-Backbone interact. energy: -1.399 local terms energy: -469.889735 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -82.892 flat angles C4'-P-C4' energy: -89.419 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: -151.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1654.712819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.712819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.712819 (E_RNA) where: Base-Base interactions energy: -1195.066 where: short stacking energy: -528.072 Base-Backbone interact. energy: -1.592 local terms energy: -458.055244 where: bonds (distance) C4'-P energy: -75.637 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -93.216 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -140.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1552.047238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.047238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.047238 (E_RNA) where: Base-Base interactions energy: -1091.550 where: short stacking energy: -487.765 Base-Backbone interact. energy: -0.332 local terms energy: -460.166089 where: bonds (distance) C4'-P energy: -71.893 bonds (distance) P-C4' energy: -83.466 flat angles C4'-P-C4' energy: -95.362 flat angles P-C4'-P energy: -68.543 tors. eta vs tors. theta energy: -140.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1507.634145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.634145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.634145 (E_RNA) where: Base-Base interactions energy: -1072.003 where: short stacking energy: -508.799 Base-Backbone interact. energy: -1.252 local terms energy: -434.379584 where: bonds (distance) C4'-P energy: -78.408 bonds (distance) P-C4' energy: -75.524 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -137.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1253.340524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.340524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.340524 (E_RNA) where: Base-Base interactions energy: -904.048 where: short stacking energy: -423.930 Base-Backbone interact. energy: -3.697 local terms energy: -345.595469 where: bonds (distance) C4'-P energy: -55.304 bonds (distance) P-C4' energy: -63.053 flat angles C4'-P-C4' energy: -81.416 flat angles P-C4'-P energy: -39.238 tors. eta vs tors. theta energy: -106.584 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: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1972.682752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.682752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.682752 (E_RNA) where: Base-Base interactions energy: -1406.800 where: short stacking energy: -630.432 Base-Backbone interact. energy: -4.159 local terms energy: -561.724108 where: bonds (distance) C4'-P energy: -98.890 bonds (distance) P-C4' energy: -96.760 flat angles C4'-P-C4' energy: -111.070 flat angles P-C4'-P energy: -79.850 tors. eta vs tors. theta energy: -175.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1906.688942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.688942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.688942 (E_RNA) where: Base-Base interactions energy: -1371.535 where: short stacking energy: -609.497 Base-Backbone interact. energy: -1.910 local terms energy: -533.244219 where: bonds (distance) C4'-P energy: -87.584 bonds (distance) P-C4' energy: -92.197 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -77.009 tors. eta vs tors. theta energy: -168.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1841.700487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.700487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.700487 (E_RNA) where: Base-Base interactions energy: -1313.139 where: short stacking energy: -588.247 Base-Backbone interact. energy: -2.099 local terms energy: -526.462863 where: bonds (distance) C4'-P energy: -89.060 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -111.626 flat angles P-C4'-P energy: -74.568 tors. eta vs tors. theta energy: -157.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1772.719186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.719186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.719186 (E_RNA) where: Base-Base interactions energy: -1310.747 where: short stacking energy: -575.301 Base-Backbone interact. energy: -0.721 local terms energy: -461.251119 where: bonds (distance) C4'-P energy: -79.014 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -100.241 flat angles P-C4'-P energy: -62.355 tors. eta vs tors. theta energy: -142.164 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: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1722.924481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.924481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.924481 (E_RNA) where: Base-Base interactions energy: -1238.780 where: short stacking energy: -590.276 Base-Backbone interact. energy: -1.414 local terms energy: -482.730206 where: bonds (distance) C4'-P energy: -75.615 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -101.191 flat angles P-C4'-P energy: -66.100 tors. eta vs tors. theta energy: -156.906 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: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1711.856218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.856218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.856218 (E_RNA) where: Base-Base interactions energy: -1229.749 where: short stacking energy: -557.031 Base-Backbone interact. energy: 0.919 local terms energy: -483.026058 where: bonds (distance) C4'-P energy: -81.292 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -99.809 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -150.975 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: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1662.504973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.504973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.504973 (E_RNA) where: Base-Base interactions energy: -1206.659 where: short stacking energy: -533.817 Base-Backbone interact. energy: -2.240 local terms energy: -453.605272 where: bonds (distance) C4'-P energy: -69.408 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -107.644 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: -138.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1604.668080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.668080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.668080 (E_RNA) where: Base-Base interactions energy: -1161.232 where: short stacking energy: -488.069 Base-Backbone interact. energy: -1.157 local terms energy: -442.279332 where: bonds (distance) C4'-P energy: -70.158 bonds (distance) P-C4' energy: -93.410 flat angles C4'-P-C4' energy: -94.991 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -134.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1468.274944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.274944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.274944 (E_RNA) where: Base-Base interactions energy: -1053.473 where: short stacking energy: -479.513 Base-Backbone interact. energy: -1.046 local terms energy: -413.755410 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -78.170 flat angles C4'-P-C4' energy: -88.674 flat angles P-C4'-P energy: -50.284 tors. eta vs tors. theta energy: -128.063 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: 10, replica: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1339.232749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.232749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.232749 (E_RNA) where: Base-Base interactions energy: -965.573 where: short stacking energy: -460.727 Base-Backbone interact. energy: -2.034 local terms energy: -371.625729 where: bonds (distance) C4'-P energy: -75.415 bonds (distance) P-C4' energy: -48.262 flat angles C4'-P-C4' energy: -84.043 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -117.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1985.868989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.868989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.868989 (E_RNA) where: Base-Base interactions energy: -1423.323 where: short stacking energy: -647.000 Base-Backbone interact. energy: -0.442 local terms energy: -562.103966 where: bonds (distance) C4'-P energy: -94.327 bonds (distance) P-C4' energy: -94.058 flat angles C4'-P-C4' energy: -117.692 flat angles P-C4'-P energy: -80.821 tors. eta vs tors. theta energy: -175.206 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: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1907.263977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.263977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.263977 (E_RNA) where: Base-Base interactions energy: -1392.475 where: short stacking energy: -629.785 Base-Backbone interact. energy: -1.002 local terms energy: -513.786667 where: bonds (distance) C4'-P energy: -74.648 bonds (distance) P-C4' energy: -84.849 flat angles C4'-P-C4' energy: -112.802 flat angles P-C4'-P energy: -71.407 tors. eta vs tors. theta energy: -170.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1856.361861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.361861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.361861 (E_RNA) where: Base-Base interactions energy: -1330.746 where: short stacking energy: -589.815 Base-Backbone interact. energy: -1.256 local terms energy: -524.360489 where: bonds (distance) C4'-P energy: -92.794 bonds (distance) P-C4' energy: -84.749 flat angles C4'-P-C4' energy: -114.605 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -159.273 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: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1792.138323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.138323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.138323 (E_RNA) where: Base-Base interactions energy: -1311.156 where: short stacking energy: -576.571 Base-Backbone interact. energy: -4.267 local terms energy: -476.715424 where: bonds (distance) C4'-P energy: -83.486 bonds (distance) P-C4' energy: -84.018 flat angles C4'-P-C4' energy: -102.799 flat angles P-C4'-P energy: -65.154 tors. eta vs tors. theta energy: -141.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1695.366713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.366713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.366713 (E_RNA) where: Base-Base interactions energy: -1238.019 where: short stacking energy: -557.802 Base-Backbone interact. energy: -1.074 local terms energy: -456.273889 where: bonds (distance) C4'-P energy: -61.724 bonds (distance) P-C4' energy: -75.512 flat angles C4'-P-C4' energy: -107.218 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -149.565 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: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1703.648866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.648866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.648866 (E_RNA) where: Base-Base interactions energy: -1231.337 where: short stacking energy: -547.412 Base-Backbone interact. energy: -3.074 local terms energy: -469.237431 where: bonds (distance) C4'-P energy: -72.650 bonds (distance) P-C4' energy: -84.841 flat angles C4'-P-C4' energy: -97.145 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: -148.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1654.950185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.950185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.950185 (E_RNA) where: Base-Base interactions energy: -1179.214 where: short stacking energy: -543.804 Base-Backbone interact. energy: -1.702 local terms energy: -474.034098 where: bonds (distance) C4'-P energy: -85.405 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -109.286 flat angles P-C4'-P energy: -61.466 tors. eta vs tors. theta energy: -142.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1571.041265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.041265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.041265 (E_RNA) where: Base-Base interactions energy: -1124.546 where: short stacking energy: -498.643 Base-Backbone interact. energy: -3.015 local terms energy: -443.481231 where: bonds (distance) C4'-P energy: -88.983 bonds (distance) P-C4' energy: -78.782 flat angles C4'-P-C4' energy: -90.112 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -137.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1509.008375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.008375 (E_RNA) where: Base-Base interactions energy: -1065.950 where: short stacking energy: -517.272 Base-Backbone interact. energy: -1.421 local terms energy: -441.637293 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -98.226 flat angles P-C4'-P energy: -72.547 tors. eta vs tors. theta energy: -133.443 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: 493 Temperature: 1.350000 Total energy: -1303.890586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.890586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.890586 (E_RNA) where: Base-Base interactions energy: -923.172 where: short stacking energy: -415.533 Base-Backbone interact. energy: 1.444 local terms energy: -382.162336 where: bonds (distance) C4'-P energy: -65.499 bonds (distance) P-C4' energy: -85.239 flat angles C4'-P-C4' energy: -76.596 flat angles P-C4'-P energy: -49.987 tors. eta vs tors. theta energy: -104.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1984.750146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.750146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.750146 (E_RNA) where: Base-Base interactions energy: -1429.651 where: short stacking energy: -653.915 Base-Backbone interact. energy: -2.109 local terms energy: -552.989809 where: bonds (distance) C4'-P energy: -91.893 bonds (distance) P-C4' energy: -88.574 flat angles C4'-P-C4' energy: -119.833 flat angles P-C4'-P energy: -79.430 tors. eta vs tors. theta energy: -173.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1931.261463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.261463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.261463 (E_RNA) where: Base-Base interactions energy: -1396.795 where: short stacking energy: -621.730 Base-Backbone interact. energy: -0.430 local terms energy: -534.036288 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -74.285 tors. eta vs tors. theta energy: -163.783 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: 494 Temperature: 1.000000 Total energy: -1818.095683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.095683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.095683 (E_RNA) where: Base-Base interactions energy: -1314.627 where: short stacking energy: -588.205 Base-Backbone interact. energy: -1.196 local terms energy: -502.273113 where: bonds (distance) C4'-P energy: -89.891 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -111.204 flat angles P-C4'-P energy: -66.419 tors. eta vs tors. theta energy: -151.220 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: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1792.429703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.429703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.429703 (E_RNA) where: Base-Base interactions energy: -1273.929 where: short stacking energy: -573.677 Base-Backbone interact. energy: -2.122 local terms energy: -516.378187 where: bonds (distance) C4'-P energy: -86.903 bonds (distance) P-C4' energy: -94.048 flat angles C4'-P-C4' energy: -103.144 flat angles P-C4'-P energy: -70.614 tors. eta vs tors. theta energy: -161.669 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: 494 Temperature: 1.100000 Total energy: -1737.137145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.137145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.137145 (E_RNA) where: Base-Base interactions energy: -1229.306 where: short stacking energy: -577.754 Base-Backbone interact. energy: -1.067 local terms energy: -506.764618 where: bonds (distance) C4'-P energy: -84.015 bonds (distance) P-C4' energy: -93.121 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -72.157 tors. eta vs tors. theta energy: -148.984 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: 9 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1701.089043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.089043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.089043 (E_RNA) where: Base-Base interactions energy: -1204.382 where: short stacking energy: -558.016 Base-Backbone interact. energy: -1.340 local terms energy: -495.367484 where: bonds (distance) C4'-P energy: -84.054 bonds (distance) P-C4' energy: -92.682 flat angles C4'-P-C4' energy: -104.160 flat angles P-C4'-P energy: -71.170 tors. eta vs tors. theta energy: -143.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1625.916912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.916912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.916912 (E_RNA) where: Base-Base interactions energy: -1153.085 where: short stacking energy: -529.577 Base-Backbone interact. energy: -0.589 local terms energy: -472.242841 where: bonds (distance) C4'-P energy: -64.280 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -104.578 flat angles P-C4'-P energy: -74.253 tors. eta vs tors. theta energy: -133.949 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: 494 Temperature: 1.250000 Total energy: -1577.729692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.729692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.729692 (E_RNA) where: Base-Base interactions energy: -1109.524 where: short stacking energy: -499.075 Base-Backbone interact. energy: -2.444 local terms energy: -465.761520 where: bonds (distance) C4'-P energy: -81.771 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -57.767 tors. eta vs tors. theta energy: -144.097 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: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1517.657399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.657399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.657399 (E_RNA) where: Base-Base interactions energy: -1102.427 where: short stacking energy: -500.017 Base-Backbone interact. energy: -1.508 local terms energy: -413.722665 where: bonds (distance) C4'-P energy: -70.236 bonds (distance) P-C4' energy: -61.173 flat angles C4'-P-C4' energy: -96.034 flat angles P-C4'-P energy: -52.389 tors. eta vs tors. theta energy: -133.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1287.516679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.516679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.516679 (E_RNA) where: Base-Base interactions energy: -914.490 where: short stacking energy: -442.190 Base-Backbone interact. energy: 3.572 local terms energy: -376.599349 where: bonds (distance) C4'-P energy: -63.920 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -92.847 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -99.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1981.296597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.296597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.296597 (E_RNA) where: Base-Base interactions energy: -1427.105 where: short stacking energy: -652.580 Base-Backbone interact. energy: -2.242 local terms energy: -551.949975 where: bonds (distance) C4'-P energy: -99.590 bonds (distance) P-C4' energy: -86.015 flat angles C4'-P-C4' energy: -111.325 flat angles P-C4'-P energy: -81.055 tors. eta vs tors. theta energy: -173.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1894.342812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.342812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.342812 (E_RNA) where: Base-Base interactions energy: -1355.214 where: short stacking energy: -596.467 Base-Backbone interact. energy: -2.553 local terms energy: -536.574945 where: bonds (distance) C4'-P energy: -88.025 bonds (distance) P-C4' energy: -94.845 flat angles C4'-P-C4' energy: -109.791 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -165.576 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: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1828.494814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.494814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.494814 (E_RNA) where: Base-Base interactions energy: -1344.315 where: short stacking energy: -603.971 Base-Backbone interact. energy: -1.814 local terms energy: -482.365686 where: bonds (distance) C4'-P energy: -75.892 bonds (distance) P-C4' energy: -81.964 flat angles C4'-P-C4' energy: -114.406 flat angles P-C4'-P energy: -59.330 tors. eta vs tors. theta energy: -150.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1787.036778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.036778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.036778 (E_RNA) where: Base-Base interactions energy: -1299.713 where: short stacking energy: -576.542 Base-Backbone interact. energy: -1.101 local terms energy: -486.223085 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -75.796 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -160.024 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: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1750.800280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.800280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.800280 (E_RNA) where: Base-Base interactions energy: -1257.206 where: short stacking energy: -564.212 Base-Backbone interact. energy: -0.927 local terms energy: -492.667410 where: bonds (distance) C4'-P energy: -75.723 bonds (distance) P-C4' energy: -90.576 flat angles C4'-P-C4' energy: -109.173 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -154.724 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: 495 Temperature: 1.150000 Total energy: -1716.428608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.428608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.428608 (E_RNA) where: Base-Base interactions energy: -1239.882 where: short stacking energy: -565.113 Base-Backbone interact. energy: -1.265 local terms energy: -475.281683 where: bonds (distance) C4'-P energy: -88.289 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -96.454 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -147.794 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: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1591.941089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.941089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.941089 (E_RNA) where: Base-Base interactions energy: -1142.039 where: short stacking energy: -534.976 Base-Backbone interact. energy: 1.205 local terms energy: -451.107241 where: bonds (distance) C4'-P energy: -84.838 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -92.494 flat angles P-C4'-P energy: -58.427 tors. eta vs tors. theta energy: -141.874 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: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1561.034392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.034392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.034392 (E_RNA) where: Base-Base interactions energy: -1136.650 where: short stacking energy: -500.618 Base-Backbone interact. energy: -0.298 local terms energy: -424.086020 where: bonds (distance) C4'-P energy: -66.981 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -97.329 flat angles P-C4'-P energy: -51.917 tors. eta vs tors. theta energy: -141.967 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: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1518.343743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.343743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.343743 (E_RNA) where: Base-Base interactions energy: -1080.392 where: short stacking energy: -509.425 Base-Backbone interact. energy: 0.697 local terms energy: -438.648420 where: bonds (distance) C4'-P energy: -78.303 bonds (distance) P-C4' energy: -83.966 flat angles C4'-P-C4' energy: -93.340 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -129.117 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: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1295.932893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.932893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.932893 (E_RNA) where: Base-Base interactions energy: -884.113 where: short stacking energy: -398.946 Base-Backbone interact. energy: 3.416 local terms energy: -415.235866 where: bonds (distance) C4'-P energy: -68.319 bonds (distance) P-C4' energy: -85.396 flat angles C4'-P-C4' energy: -92.758 flat angles P-C4'-P energy: -63.952 tors. eta vs tors. theta energy: -104.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1981.609887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.609887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.609887 (E_RNA) where: Base-Base interactions energy: -1407.584 where: short stacking energy: -648.901 Base-Backbone interact. energy: -0.167 local terms energy: -573.859152 where: bonds (distance) C4'-P energy: -102.054 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -117.568 flat angles P-C4'-P energy: -82.534 tors. eta vs tors. theta energy: -176.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1898.071002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.071002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.071002 (E_RNA) where: Base-Base interactions energy: -1374.357 where: short stacking energy: -627.823 Base-Backbone interact. energy: -0.789 local terms energy: -522.925824 where: bonds (distance) C4'-P energy: -86.206 bonds (distance) P-C4' energy: -97.942 flat angles C4'-P-C4' energy: -112.132 flat angles P-C4'-P energy: -60.040 tors. eta vs tors. theta energy: -166.606 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: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1820.347723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.347723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.347723 (E_RNA) where: Base-Base interactions energy: -1322.707 where: short stacking energy: -580.184 Base-Backbone interact. energy: -1.358 local terms energy: -496.283090 where: bonds (distance) C4'-P energy: -88.139 bonds (distance) P-C4' energy: -95.837 flat angles C4'-P-C4' energy: -96.283 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: -157.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1787.273628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.273628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.273628 (E_RNA) where: Base-Base interactions energy: -1284.989 where: short stacking energy: -583.407 Base-Backbone interact. energy: 3.035 local terms energy: -505.319298 where: bonds (distance) C4'-P energy: -76.442 bonds (distance) P-C4' energy: -89.484 flat angles C4'-P-C4' energy: -116.164 flat angles P-C4'-P energy: -67.114 tors. eta vs tors. theta energy: -156.115 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: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1705.890433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.890433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.890433 (E_RNA) where: Base-Base interactions energy: -1241.948 where: short stacking energy: -557.007 Base-Backbone interact. energy: 3.571 local terms energy: -467.513947 where: bonds (distance) C4'-P energy: -67.587 bonds (distance) P-C4' energy: -71.142 flat angles C4'-P-C4' energy: -99.348 flat angles P-C4'-P energy: -72.997 tors. eta vs tors. theta energy: -156.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1687.563583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.563583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.563583 (E_RNA) where: Base-Base interactions energy: -1218.281 where: short stacking energy: -547.006 Base-Backbone interact. energy: -2.316 local terms energy: -466.967026 where: bonds (distance) C4'-P energy: -84.858 bonds (distance) P-C4' energy: -69.951 flat angles C4'-P-C4' energy: -101.537 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -144.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1630.301458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.301458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.301458 (E_RNA) where: Base-Base interactions energy: -1170.014 where: short stacking energy: -512.597 Base-Backbone interact. energy: -1.857 local terms energy: -458.430035 where: bonds (distance) C4'-P energy: -82.351 bonds (distance) P-C4' energy: -76.498 flat angles C4'-P-C4' energy: -95.383 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -138.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1552.391736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.391736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.391736 (E_RNA) where: Base-Base interactions energy: -1087.623 where: short stacking energy: -478.349 Base-Backbone interact. energy: -1.778 local terms energy: -462.991338 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -87.451 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -70.800 tors. eta vs tors. theta energy: -128.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1529.468030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.468030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.468030 (E_RNA) where: Base-Base interactions energy: -1114.614 where: short stacking energy: -510.913 Base-Backbone interact. energy: -0.975 local terms energy: -413.878647 where: bonds (distance) C4'-P energy: -61.760 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -91.775 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -134.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1305.452069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.452069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.452069 (E_RNA) where: Base-Base interactions energy: -899.478 where: short stacking energy: -417.939 Base-Backbone interact. energy: 0.371 local terms energy: -406.344627 where: bonds (distance) C4'-P energy: -74.894 bonds (distance) P-C4' energy: -77.127 flat angles C4'-P-C4' energy: -84.800 flat angles P-C4'-P energy: -55.606 tors. eta vs tors. theta energy: -113.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1979.622404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.622404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.622404 (E_RNA) where: Base-Base interactions energy: -1421.128 where: short stacking energy: -658.499 Base-Backbone interact. energy: -1.175 local terms energy: -557.319182 where: bonds (distance) C4'-P energy: -93.199 bonds (distance) P-C4' energy: -89.522 flat angles C4'-P-C4' energy: -119.162 flat angles P-C4'-P energy: -77.136 tors. eta vs tors. theta energy: -178.301 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: 497 Temperature: 0.950000 Total energy: -1905.313727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.313727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.313727 (E_RNA) where: Base-Base interactions energy: -1378.688 where: short stacking energy: -627.741 Base-Backbone interact. energy: -0.816 local terms energy: -525.809132 where: bonds (distance) C4'-P energy: -89.130 bonds (distance) P-C4' energy: -91.133 flat angles C4'-P-C4' energy: -103.339 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -165.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1823.472241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.472241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.472241 (E_RNA) where: Base-Base interactions energy: -1334.953 where: short stacking energy: -598.561 Base-Backbone interact. energy: -0.210 local terms energy: -488.309337 where: bonds (distance) C4'-P energy: -81.322 bonds (distance) P-C4' energy: -81.110 flat angles C4'-P-C4' energy: -102.139 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -159.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1775.121666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.121666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.121666 (E_RNA) where: Base-Base interactions energy: -1265.374 where: short stacking energy: -552.767 Base-Backbone interact. energy: -2.490 local terms energy: -507.257894 where: bonds (distance) C4'-P energy: -89.790 bonds (distance) P-C4' energy: -86.298 flat angles C4'-P-C4' energy: -107.820 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -156.487 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: 497 Temperature: 1.100000 Total energy: -1779.639983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.639983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.639983 (E_RNA) where: Base-Base interactions energy: -1277.623 where: short stacking energy: -576.285 Base-Backbone interact. energy: 4.398 local terms energy: -506.415369 where: bonds (distance) C4'-P energy: -88.284 bonds (distance) P-C4' energy: -86.808 flat angles C4'-P-C4' energy: -102.702 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -156.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1674.976124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.976124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.976124 (E_RNA) where: Base-Base interactions energy: -1198.747 where: short stacking energy: -525.567 Base-Backbone interact. energy: -0.222 local terms energy: -476.007311 where: bonds (distance) C4'-P energy: -77.117 bonds (distance) P-C4' energy: -81.219 flat angles C4'-P-C4' energy: -106.917 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -143.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1607.912674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.912674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.912674 (E_RNA) where: Base-Base interactions energy: -1148.142 where: short stacking energy: -495.933 Base-Backbone interact. energy: -1.984 local terms energy: -457.786821 where: bonds (distance) C4'-P energy: -67.835 bonds (distance) P-C4' energy: -83.282 flat angles C4'-P-C4' energy: -103.909 flat angles P-C4'-P energy: -62.984 tors. eta vs tors. theta energy: -139.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1574.285832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.285832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.285832 (E_RNA) where: Base-Base interactions energy: -1127.700 where: short stacking energy: -535.011 Base-Backbone interact. energy: -1.278 local terms energy: -445.308402 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -67.433 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: -144.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1515.922495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.922495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.922495 (E_RNA) where: Base-Base interactions energy: -1100.935 where: short stacking energy: -492.293 Base-Backbone interact. energy: -1.833 local terms energy: -413.154606 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -71.227 flat angles C4'-P-C4' energy: -88.229 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -133.771 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: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1250.704775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.704775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.704775 (E_RNA) where: Base-Base interactions energy: -877.072 where: short stacking energy: -409.512 Base-Backbone interact. energy: -0.474 local terms energy: -373.158353 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -72.372 flat angles C4'-P-C4' energy: -89.781 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -96.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1947.762015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.762015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.762015 (E_RNA) where: Base-Base interactions energy: -1418.277 where: short stacking energy: -653.520 Base-Backbone interact. energy: -1.426 local terms energy: -528.059385 where: bonds (distance) C4'-P energy: -80.041 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -108.630 flat angles P-C4'-P energy: -72.397 tors. eta vs tors. theta energy: -170.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1939.474029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.474029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.474029 (E_RNA) where: Base-Base interactions energy: -1411.780 where: short stacking energy: -646.990 Base-Backbone interact. energy: -0.188 local terms energy: -527.505747 where: bonds (distance) C4'-P energy: -92.720 bonds (distance) P-C4' energy: -86.910 flat angles C4'-P-C4' energy: -105.735 flat angles P-C4'-P energy: -72.020 tors. eta vs tors. theta energy: -170.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1815.342148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.342148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.342148 (E_RNA) where: Base-Base interactions energy: -1314.250 where: short stacking energy: -578.460 Base-Backbone interact. energy: -1.575 local terms energy: -499.516262 where: bonds (distance) C4'-P energy: -89.233 bonds (distance) P-C4' energy: -80.250 flat angles C4'-P-C4' energy: -101.390 flat angles P-C4'-P energy: -74.077 tors. eta vs tors. theta energy: -154.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1765.752066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.752066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.752066 (E_RNA) where: Base-Base interactions energy: -1274.088 where: short stacking energy: -551.209 Base-Backbone interact. energy: -0.499 local terms energy: -491.165217 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -82.841 flat angles C4'-P-C4' energy: -101.771 flat angles P-C4'-P energy: -58.004 tors. eta vs tors. theta energy: -160.513 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: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1810.889199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.889199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.889199 (E_RNA) where: Base-Base interactions energy: -1310.873 where: short stacking energy: -581.414 Base-Backbone interact. energy: -1.733 local terms energy: -498.283186 where: bonds (distance) C4'-P energy: -81.611 bonds (distance) P-C4' energy: -79.399 flat angles C4'-P-C4' energy: -112.981 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -159.848 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: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1664.003233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.003233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.003233 (E_RNA) where: Base-Base interactions energy: -1184.494 where: short stacking energy: -520.361 Base-Backbone interact. energy: 3.761 local terms energy: -483.270283 where: bonds (distance) C4'-P energy: -96.047 bonds (distance) P-C4' energy: -87.736 flat angles C4'-P-C4' energy: -101.247 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -142.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1601.946516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.946516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.946516 (E_RNA) where: Base-Base interactions energy: -1133.126 where: short stacking energy: -528.708 Base-Backbone interact. energy: -1.396 local terms energy: -467.424605 where: bonds (distance) C4'-P energy: -80.847 bonds (distance) P-C4' energy: -68.673 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -62.501 tors. eta vs tors. theta energy: -148.233 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: 498 Temperature: 1.250000 Total energy: -1534.579496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.579496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.579496 (E_RNA) where: Base-Base interactions energy: -1098.396 where: short stacking energy: -508.002 Base-Backbone interact. energy: -1.790 local terms energy: -434.393104 where: bonds (distance) C4'-P energy: -76.515 bonds (distance) P-C4' energy: -60.022 flat angles C4'-P-C4' energy: -98.513 flat angles P-C4'-P energy: -68.220 tors. eta vs tors. theta energy: -131.124 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: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1552.152168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.152168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.152168 (E_RNA) where: Base-Base interactions energy: -1089.208 where: short stacking energy: -510.216 Base-Backbone interact. energy: -0.193 local terms energy: -462.751034 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -88.491 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -75.996 tors. eta vs tors. theta energy: -141.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1338.702230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.702230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.702230 (E_RNA) where: Base-Base interactions energy: -954.333 where: short stacking energy: -432.354 Base-Backbone interact. energy: 5.801 local terms energy: -390.171105 where: bonds (distance) C4'-P energy: -78.609 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -87.938 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -109.549 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: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1933.769841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.769841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.769841 (E_RNA) where: Base-Base interactions energy: -1385.561 where: short stacking energy: -640.647 Base-Backbone interact. energy: -1.466 local terms energy: -546.742196 where: bonds (distance) C4'-P energy: -76.702 bonds (distance) P-C4' energy: -100.449 flat angles C4'-P-C4' energy: -119.923 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: -169.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1958.504923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.504923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.504923 (E_RNA) where: Base-Base interactions energy: -1421.925 where: short stacking energy: -651.813 Base-Backbone interact. energy: -0.610 local terms energy: -535.969242 where: bonds (distance) C4'-P energy: -84.461 bonds (distance) P-C4' energy: -93.075 flat angles C4'-P-C4' energy: -115.180 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -167.371 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: 499 Temperature: 1.000000 Total energy: -1829.471359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.471359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.471359 (E_RNA) where: Base-Base interactions energy: -1335.857 where: short stacking energy: -582.104 Base-Backbone interact. energy: -0.757 local terms energy: -492.857514 where: bonds (distance) C4'-P energy: -97.237 bonds (distance) P-C4' energy: -72.251 flat angles C4'-P-C4' energy: -108.936 flat angles P-C4'-P energy: -63.284 tors. eta vs tors. theta energy: -151.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1814.204555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.204555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.204555 (E_RNA) where: Base-Base interactions energy: -1305.012 where: short stacking energy: -589.722 Base-Backbone interact. energy: -0.841 local terms energy: -508.352204 where: bonds (distance) C4'-P energy: -79.865 bonds (distance) P-C4' energy: -93.114 flat angles C4'-P-C4' energy: -108.529 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -157.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1751.919445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.919445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.919445 (E_RNA) where: Base-Base interactions energy: -1268.118 where: short stacking energy: -597.435 Base-Backbone interact. energy: -1.668 local terms energy: -482.134221 where: bonds (distance) C4'-P energy: -65.159 bonds (distance) P-C4' energy: -82.028 flat angles C4'-P-C4' energy: -106.689 flat angles P-C4'-P energy: -72.019 tors. eta vs tors. theta energy: -156.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1662.906426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.906426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.906426 (E_RNA) where: Base-Base interactions energy: -1196.811 where: short stacking energy: -537.642 Base-Backbone interact. energy: -0.908 local terms energy: -465.187511 where: bonds (distance) C4'-P energy: -85.461 bonds (distance) P-C4' energy: -80.510 flat angles C4'-P-C4' energy: -101.988 flat angles P-C4'-P energy: -54.052 tors. eta vs tors. theta energy: -143.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1587.382257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.382257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.382257 (E_RNA) where: Base-Base interactions energy: -1147.319 where: short stacking energy: -512.018 Base-Backbone interact. energy: -0.409 local terms energy: -439.654734 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -78.910 flat angles C4'-P-C4' energy: -89.932 flat angles P-C4'-P energy: -56.661 tors. eta vs tors. theta energy: -136.949 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: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1586.051606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.051606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.051606 (E_RNA) where: Base-Base interactions energy: -1134.648 where: short stacking energy: -532.878 Base-Backbone interact. energy: -0.940 local terms energy: -450.463744 where: bonds (distance) C4'-P energy: -77.936 bonds (distance) P-C4' energy: -55.144 flat angles C4'-P-C4' energy: -103.832 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: -153.370 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: 499 Temperature: 1.300000 Total energy: -1447.539822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.539822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.539822 (E_RNA) where: Base-Base interactions energy: -1049.336 where: short stacking energy: -488.944 Base-Backbone interact. energy: -2.252 local terms energy: -395.951497 where: bonds (distance) C4'-P energy: -64.793 bonds (distance) P-C4' energy: -68.092 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -119.694 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: 499 Temperature: 1.350000 Total energy: -1350.358247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.358247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.358247 (E_RNA) where: Base-Base interactions energy: -950.161 where: short stacking energy: -455.459 Base-Backbone interact. energy: -2.220 local terms energy: -397.976497 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -79.223 flat angles C4'-P-C4' energy: -86.931 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -111.970 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: 5 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1982.611094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.611094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.611094 (E_RNA) where: Base-Base interactions energy: -1416.409 where: short stacking energy: -655.641 Base-Backbone interact. energy: -0.643 local terms energy: -565.558152 where: bonds (distance) C4'-P energy: -103.074 bonds (distance) P-C4' energy: -103.550 flat angles C4'-P-C4' energy: -112.577 flat angles P-C4'-P energy: -73.930 tors. eta vs tors. theta energy: -172.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1896.821590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.821590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.821590 (E_RNA) where: Base-Base interactions energy: -1365.655 where: short stacking energy: -628.813 Base-Backbone interact. energy: -1.143 local terms energy: -530.023337 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -80.494 flat angles C4'-P-C4' energy: -113.265 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -169.882 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: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1822.824489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.824489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.824489 (E_RNA) where: Base-Base interactions energy: -1312.932 where: short stacking energy: -590.418 Base-Backbone interact. energy: 0.794 local terms energy: -510.685977 where: bonds (distance) C4'-P energy: -88.588 bonds (distance) P-C4' energy: -87.437 flat angles C4'-P-C4' energy: -106.467 flat angles P-C4'-P energy: -69.666 tors. eta vs tors. theta energy: -158.527 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: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1820.027914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.027914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.027914 (E_RNA) where: Base-Base interactions energy: -1333.476 where: short stacking energy: -581.375 Base-Backbone interact. energy: 0.007 local terms energy: -486.558817 where: bonds (distance) C4'-P energy: -80.685 bonds (distance) P-C4' energy: -84.859 flat angles C4'-P-C4' energy: -94.891 flat angles P-C4'-P energy: -70.332 tors. eta vs tors. theta energy: -155.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1747.843777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.843777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.843777 (E_RNA) where: Base-Base interactions energy: -1253.037 where: short stacking energy: -579.789 Base-Backbone interact. energy: 4.333 local terms energy: -499.139137 where: bonds (distance) C4'-P energy: -83.128 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -96.958 flat angles P-C4'-P energy: -77.833 tors. eta vs tors. theta energy: -151.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1678.478071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.478071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.478071 (E_RNA) where: Base-Base interactions energy: -1197.584 where: short stacking energy: -520.974 Base-Backbone interact. energy: -3.243 local terms energy: -477.651078 where: bonds (distance) C4'-P energy: -79.380 bonds (distance) P-C4' energy: -81.034 flat angles C4'-P-C4' energy: -101.107 flat angles P-C4'-P energy: -72.406 tors. eta vs tors. theta energy: -143.724 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: 7, replica: 4 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1627.655961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.655961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.655961 (E_RNA) where: Base-Base interactions energy: -1157.464 where: short stacking energy: -530.781 Base-Backbone interact. energy: -1.431 local terms energy: -468.760510 where: bonds (distance) C4'-P energy: -73.146 bonds (distance) P-C4' energy: -97.622 flat angles C4'-P-C4' energy: -97.384 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: -138.771 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: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1585.289830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.289830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.289830 (E_RNA) where: Base-Base interactions energy: -1123.432 where: short stacking energy: -511.943 Base-Backbone interact. energy: -1.716 local terms energy: -460.141769 where: bonds (distance) C4'-P energy: -80.683 bonds (distance) P-C4' energy: -82.343 flat angles C4'-P-C4' energy: -86.068 flat angles P-C4'-P energy: -67.734 tors. eta vs tors. theta energy: -143.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1429.597778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.597778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.597778 (E_RNA) where: Base-Base interactions energy: -1035.269 where: short stacking energy: -506.724 Base-Backbone interact. energy: -0.181 local terms energy: -394.147721 where: bonds (distance) C4'-P energy: -61.032 bonds (distance) P-C4' energy: -78.366 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -41.803 tors. eta vs tors. theta energy: -123.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -1331.481833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.481833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.481833 (E_RNA) where: Base-Base interactions energy: -955.491 where: short stacking energy: -453.591 Base-Backbone interact. energy: -1.578 local terms energy: -374.412486 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -71.171 flat angles C4'-P-C4' energy: -81.999 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -97.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1981.119651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.119651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.119651 (E_RNA) where: Base-Base interactions energy: -1431.651 where: short stacking energy: -657.398 Base-Backbone interact. energy: -0.408 local terms energy: -549.059889 where: bonds (distance) C4'-P energy: -91.733 bonds (distance) P-C4' energy: -91.066 flat angles C4'-P-C4' energy: -113.777 flat angles P-C4'-P energy: -74.982 tors. eta vs tors. theta energy: -177.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1885.136548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.136548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.136548 (E_RNA) where: Base-Base interactions energy: -1360.484 where: short stacking energy: -607.465 Base-Backbone interact. energy: 1.639 local terms energy: -526.290705 where: bonds (distance) C4'-P energy: -87.043 bonds (distance) P-C4' energy: -89.115 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -76.627 tors. eta vs tors. theta energy: -166.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1830.760532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.760532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.760532 (E_RNA) where: Base-Base interactions energy: -1301.826 where: short stacking energy: -581.527 Base-Backbone interact. energy: -0.487 local terms energy: -528.447956 where: bonds (distance) C4'-P energy: -84.370 bonds (distance) P-C4' energy: -105.474 flat angles C4'-P-C4' energy: -106.502 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -156.972 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: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1818.241520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.241520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.241520 (E_RNA) where: Base-Base interactions energy: -1323.776 where: short stacking energy: -588.377 Base-Backbone interact. energy: -2.120 local terms energy: -492.344969 where: bonds (distance) C4'-P energy: -79.773 bonds (distance) P-C4' energy: -77.723 flat angles C4'-P-C4' energy: -111.846 flat angles P-C4'-P energy: -70.557 tors. eta vs tors. theta energy: -152.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1754.785986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.785986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.785986 (E_RNA) where: Base-Base interactions energy: -1277.301 where: short stacking energy: -593.083 Base-Backbone interact. energy: -0.998 local terms energy: -476.487103 where: bonds (distance) C4'-P energy: -65.140 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -103.430 flat angles P-C4'-P energy: -59.170 tors. eta vs tors. theta energy: -160.381 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: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1663.610727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.610727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.610727 (E_RNA) where: Base-Base interactions energy: -1185.996 where: short stacking energy: -530.620 Base-Backbone interact. energy: -0.483 local terms energy: -477.131567 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -86.951 flat angles C4'-P-C4' energy: -95.991 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -144.896 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: 4 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1555.646187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.646187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.646187 (E_RNA) where: Base-Base interactions energy: -1123.017 where: short stacking energy: -511.681 Base-Backbone interact. energy: -1.584 local terms energy: -431.045158 where: bonds (distance) C4'-P energy: -65.374 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -101.726 flat angles P-C4'-P energy: -72.153 tors. eta vs tors. theta energy: -127.673 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: 8, replica: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1584.287059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.287059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.287059 (E_RNA) where: Base-Base interactions energy: -1121.604 where: short stacking energy: -525.243 Base-Backbone interact. energy: -0.844 local terms energy: -461.838706 where: bonds (distance) C4'-P energy: -80.491 bonds (distance) P-C4' energy: -91.136 flat angles C4'-P-C4' energy: -92.869 flat angles P-C4'-P energy: -58.247 tors. eta vs tors. theta energy: -139.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1490.128177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.128177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.128177 (E_RNA) where: Base-Base interactions energy: -1078.671 where: short stacking energy: -501.077 Base-Backbone interact. energy: 2.686 local terms energy: -414.142812 where: bonds (distance) C4'-P energy: -64.380 bonds (distance) P-C4' energy: -85.244 flat angles C4'-P-C4' energy: -84.167 flat angles P-C4'-P energy: -59.698 tors. eta vs tors. theta energy: -120.653 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: 501 Temperature: 1.350000 Total energy: -1282.381684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.381684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.381684 (E_RNA) where: Base-Base interactions energy: -921.992 where: short stacking energy: -438.395 Base-Backbone interact. energy: 0.243 local terms energy: -360.632801 where: bonds (distance) C4'-P energy: -57.298 bonds (distance) P-C4' energy: -72.857 flat angles C4'-P-C4' energy: -76.465 flat angles P-C4'-P energy: -49.714 tors. eta vs tors. theta energy: -104.298 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) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 57158552 moves confirmed later: 61444704 all moves confirmed: 118603256 percent of confirmed moves: 14.825407 current total energy: -1897.552682 recalc. total energy: -1897.552682 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 61540572 moves confirmed later: 66987760 all moves confirmed: 128528332 percent of confirmed moves: 16.066042 current total energy: -1842.877989 recalc. total energy: -1842.877989 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 55857044 moves confirmed later: 59604625 all moves confirmed: 115461669 percent of confirmed moves: 14.432709 current total energy: -1767.186677 recalc. total energy: -1767.186677 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 64327443 moves confirmed later: 70667962 all moves confirmed: 134995405 percent of confirmed moves: 16.874426 current total energy: -1727.651800 recalc. total energy: -1727.651800 replica 2 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 67939319 moves confirmed later: 75228477 all moves confirmed: 143167796 percent of confirmed moves: 17.895975 current total energy: -1604.234815 recalc. total energy: -1604.234815 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 64730809 moves confirmed later: 71191082 all moves confirmed: 135921891 percent of confirmed moves: 16.990236 current total energy: -1555.083923 recalc. total energy: -1555.083923 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 83594675 moves confirmed later: 95772226 all moves confirmed: 179366901 percent of confirmed moves: 22.420863 current total energy: -1449.860561 recalc. total energy: -1449.860561 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 67269085 moves confirmed later: 74486634 all moves confirmed: 141755719 percent of confirmed moves: 17.719465 current total energy: -1447.510724 recalc. total energy: -1447.510724 replica 9 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 60563293 moves confirmed later: 65956952 all moves confirmed: 126520245 percent of confirmed moves: 15.815031 current total energy: -1404.318580 recalc. total energy: -1404.318580 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 85240760 moves confirmed later: 97566823 all moves confirmed: 182807583 percent of confirmed moves: 22.850948 current total energy: -1102.118572 recalc. total energy: -1102.118572 out arg RESULTS//1/NIID_1-69ad930a_01 Time of doing 8000000 iterations: 34098.992 seconds