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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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/G-4-5b8ef314/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/G-4-5b8ef314/inputs/seq.fa: 1 curr_seq: _GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAGCAGGAGCAGGAGCGGGAGGGGCAGGAGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGCAGGAGGAGGGGCAGGAGGGGCAGGAGCAGGAGGA 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 297 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: 1490 n_atoms_counter: 1490 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 297.000000 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: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 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: 1 Temperature: 1.000000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1220.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.183479 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.000 local terms energy: -1155.779230 where: bonds (distance) C4'-P energy: -288.559 bonds (distance) P-C4' energy: -266.606 flat angles C4'-P-C4' energy: -218.065 flat angles P-C4'-P energy: -249.443 tors. eta vs tors. theta energy: -133.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1542.013599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.013599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.013599 (E_RNA) where: Base-Base interactions energy: -697.363 where: short stacking energy: -697.152 Base-Backbone interact. energy: -0.085 local terms energy: -844.565182 where: bonds (distance) C4'-P energy: -188.707 bonds (distance) P-C4' energy: -184.106 flat angles C4'-P-C4' energy: -205.066 flat angles P-C4'-P energy: -108.005 tors. eta vs tors. theta energy: -158.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1455.248649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.248649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.248649 (E_RNA) where: Base-Base interactions energy: -649.225 where: short stacking energy: -647.889 Base-Backbone interact. energy: -0.189 local terms energy: -805.834476 where: bonds (distance) C4'-P energy: -183.541 bonds (distance) P-C4' energy: -187.160 flat angles C4'-P-C4' energy: -168.974 flat angles P-C4'-P energy: -126.623 tors. eta vs tors. theta energy: -139.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1396.267127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.267127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.267127 (E_RNA) where: Base-Base interactions energy: -657.652 where: short stacking energy: -650.621 Base-Backbone interact. energy: 3.480 local terms energy: -742.096008 where: bonds (distance) C4'-P energy: -181.055 bonds (distance) P-C4' energy: -169.402 flat angles C4'-P-C4' energy: -141.346 flat angles P-C4'-P energy: -108.396 tors. eta vs tors. theta energy: -141.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1279.878774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.878774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.878774 (E_RNA) where: Base-Base interactions energy: -492.653 where: short stacking energy: -490.369 Base-Backbone interact. energy: -0.012 local terms energy: -787.213565 where: bonds (distance) C4'-P energy: -183.317 bonds (distance) P-C4' energy: -188.289 flat angles C4'-P-C4' energy: -178.467 flat angles P-C4'-P energy: -111.157 tors. eta vs tors. theta energy: -125.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1240.958931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.958931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.958931 (E_RNA) where: Base-Base interactions energy: -149.798 where: short stacking energy: -149.798 Base-Backbone interact. energy: -0.000 local terms energy: -1091.161070 where: bonds (distance) C4'-P energy: -253.326 bonds (distance) P-C4' energy: -233.473 flat angles C4'-P-C4' energy: -220.774 flat angles P-C4'-P energy: -240.649 tors. eta vs tors. theta energy: -142.940 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1245.955882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.955882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.955882 (E_RNA) where: Base-Base interactions energy: -158.785 where: short stacking energy: -158.785 Base-Backbone interact. energy: -0.000 local terms energy: -1087.170498 where: bonds (distance) C4'-P energy: -258.749 bonds (distance) P-C4' energy: -225.039 flat angles C4'-P-C4' energy: -220.756 flat angles P-C4'-P energy: -239.524 tors. eta vs tors. theta energy: -143.103 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1234.815087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.815087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.815087 (E_RNA) where: Base-Base interactions energy: -120.250 where: short stacking energy: -120.250 Base-Backbone interact. energy: -0.000 local terms energy: -1114.564500 where: bonds (distance) C4'-P energy: -271.347 bonds (distance) P-C4' energy: -237.150 flat angles C4'-P-C4' energy: -220.828 flat angles P-C4'-P energy: -244.873 tors. eta vs tors. theta energy: -140.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1235.524498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.524498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.524498 (E_RNA) where: Base-Base interactions energy: -105.644 where: short stacking energy: -105.644 Base-Backbone interact. energy: -0.000 local terms energy: -1129.879790 where: bonds (distance) C4'-P energy: -275.942 bonds (distance) P-C4' energy: -251.745 flat angles C4'-P-C4' energy: -219.144 flat angles P-C4'-P energy: -246.060 tors. eta vs tors. theta energy: -136.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1237.260537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.260537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.260537 (E_RNA) where: Base-Base interactions energy: -145.491 where: short stacking energy: -145.491 Base-Backbone interact. energy: -0.000 local terms energy: -1091.769596 where: bonds (distance) C4'-P energy: -265.132 bonds (distance) P-C4' energy: -224.733 flat angles C4'-P-C4' energy: -220.083 flat angles P-C4'-P energy: -240.229 tors. eta vs tors. theta energy: -141.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1245.908608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.908608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.908608 (E_RNA) where: Base-Base interactions energy: -178.632 where: short stacking energy: -178.063 Base-Backbone interact. energy: -0.000 local terms energy: -1067.275803 where: bonds (distance) C4'-P energy: -243.809 bonds (distance) P-C4' energy: -226.148 flat angles C4'-P-C4' energy: -221.755 flat angles P-C4'-P energy: -234.555 tors. eta vs tors. theta energy: -141.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1590.838469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.838469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.838469 (E_RNA) where: Base-Base interactions energy: -746.686 where: short stacking energy: -744.874 Base-Backbone interact. energy: -0.061 local terms energy: -844.092377 where: bonds (distance) C4'-P energy: -181.786 bonds (distance) P-C4' energy: -194.629 flat angles C4'-P-C4' energy: -176.918 flat angles P-C4'-P energy: -114.778 tors. eta vs tors. theta energy: -175.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1559.845378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.845378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.845378 (E_RNA) where: Base-Base interactions energy: -751.085 where: short stacking energy: -746.369 Base-Backbone interact. energy: -0.632 local terms energy: -808.128129 where: bonds (distance) C4'-P energy: -163.961 bonds (distance) P-C4' energy: -167.535 flat angles C4'-P-C4' energy: -179.194 flat angles P-C4'-P energy: -133.015 tors. eta vs tors. theta energy: -164.423 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1399.468251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.468251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.468251 (E_RNA) where: Base-Base interactions energy: -602.779 where: short stacking energy: -592.925 Base-Backbone interact. energy: -1.505 local terms energy: -795.184328 where: bonds (distance) C4'-P energy: -196.562 bonds (distance) P-C4' energy: -166.211 flat angles C4'-P-C4' energy: -192.019 flat angles P-C4'-P energy: -105.774 tors. eta vs tors. theta energy: -134.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1313.411689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.411689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.411689 (E_RNA) where: Base-Base interactions energy: -580.774 where: short stacking energy: -573.701 Base-Backbone interact. energy: 0.892 local terms energy: -733.528908 where: bonds (distance) C4'-P energy: -166.791 bonds (distance) P-C4' energy: -175.879 flat angles C4'-P-C4' energy: -174.355 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -125.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1217.426365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.426365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.426365 (E_RNA) where: Base-Base interactions energy: -569.953 where: short stacking energy: -542.667 Base-Backbone interact. energy: 1.320 local terms energy: -648.793580 where: bonds (distance) C4'-P energy: -150.399 bonds (distance) P-C4' energy: -167.007 flat angles C4'-P-C4' energy: -163.658 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -92.676 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1140.885915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.885915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.885915 (E_RNA) where: Base-Base interactions energy: -503.016 where: short stacking energy: -494.805 Base-Backbone interact. energy: 0.734 local terms energy: -638.603170 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -157.446 flat angles C4'-P-C4' energy: -153.733 flat angles P-C4'-P energy: -94.789 tors. eta vs tors. theta energy: -82.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -1076.277098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.277098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.277098 (E_RNA) where: Base-Base interactions energy: -466.197 where: short stacking energy: -460.068 Base-Backbone interact. energy: -1.164 local terms energy: -608.915827 where: bonds (distance) C4'-P energy: -149.606 bonds (distance) P-C4' energy: -148.548 flat angles C4'-P-C4' energy: -151.531 flat angles P-C4'-P energy: -77.878 tors. eta vs tors. theta energy: -81.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -960.771968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.771968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.771968 (E_RNA) where: Base-Base interactions energy: -403.925 where: short stacking energy: -387.735 Base-Backbone interact. energy: -0.146 local terms energy: -556.700876 where: bonds (distance) C4'-P energy: -132.991 bonds (distance) P-C4' energy: -152.125 flat angles C4'-P-C4' energy: -142.471 flat angles P-C4'-P energy: -92.653 tors. eta vs tors. theta energy: -36.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -888.947268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.947268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.947268 (E_RNA) where: Base-Base interactions energy: -352.872 where: short stacking energy: -323.221 Base-Backbone interact. energy: -0.182 local terms energy: -535.893160 where: bonds (distance) C4'-P energy: -132.687 bonds (distance) P-C4' energy: -182.360 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -63.333 tors. eta vs tors. theta energy: -13.187 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: 3 Temperature: 1.350000 Total energy: -782.196037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.196037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.196037 (E_RNA) where: Base-Base interactions energy: -296.187 where: short stacking energy: -288.284 Base-Backbone interact. energy: 2.439 local terms energy: -488.447635 where: bonds (distance) C4'-P energy: -129.897 bonds (distance) P-C4' energy: -162.985 flat angles C4'-P-C4' energy: -110.520 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1693.077892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.077892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.077892 (E_RNA) where: Base-Base interactions energy: -822.318 where: short stacking energy: -809.398 Base-Backbone interact. energy: -0.460 local terms energy: -870.299410 where: bonds (distance) C4'-P energy: -181.839 bonds (distance) P-C4' energy: -189.216 flat angles C4'-P-C4' energy: -188.839 flat angles P-C4'-P energy: -120.876 tors. eta vs tors. theta energy: -189.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1574.135017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.135017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.135017 (E_RNA) where: Base-Base interactions energy: -740.182 where: short stacking energy: -738.544 Base-Backbone interact. energy: 0.019 local terms energy: -833.972558 where: bonds (distance) C4'-P energy: -190.055 bonds (distance) P-C4' energy: -187.422 flat angles C4'-P-C4' energy: -172.802 flat angles P-C4'-P energy: -112.415 tors. eta vs tors. theta energy: -171.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1431.305801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.305801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.305801 (E_RNA) where: Base-Base interactions energy: -648.916 where: short stacking energy: -644.134 Base-Backbone interact. energy: -1.090 local terms energy: -781.299966 where: bonds (distance) C4'-P energy: -182.219 bonds (distance) P-C4' energy: -173.853 flat angles C4'-P-C4' energy: -198.797 flat angles P-C4'-P energy: -105.778 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: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1332.606910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.606910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.606910 (E_RNA) where: Base-Base interactions energy: -612.836 where: short stacking energy: -610.741 Base-Backbone interact. energy: 3.222 local terms energy: -722.993475 where: bonds (distance) C4'-P energy: -167.387 bonds (distance) P-C4' energy: -168.466 flat angles C4'-P-C4' energy: -160.427 flat angles P-C4'-P energy: -101.080 tors. eta vs tors. theta energy: -125.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1239.073750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.073750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.073750 (E_RNA) where: Base-Base interactions energy: -558.941 where: short stacking energy: -526.424 Base-Backbone interact. energy: -2.148 local terms energy: -677.984962 where: bonds (distance) C4'-P energy: -164.832 bonds (distance) P-C4' energy: -156.793 flat angles C4'-P-C4' energy: -158.931 flat angles P-C4'-P energy: -103.328 tors. eta vs tors. theta energy: -94.101 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1154.512184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.512184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.512184 (E_RNA) where: Base-Base interactions energy: -504.068 where: short stacking energy: -500.856 Base-Backbone interact. energy: -0.068 local terms energy: -650.375676 where: bonds (distance) C4'-P energy: -146.252 bonds (distance) P-C4' energy: -154.893 flat angles C4'-P-C4' energy: -172.454 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -97.410 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: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1034.815714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.815714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.815714 (E_RNA) where: Base-Base interactions energy: -417.825 where: short stacking energy: -407.759 Base-Backbone interact. energy: 2.546 local terms energy: -619.536920 where: bonds (distance) C4'-P energy: -162.630 bonds (distance) P-C4' energy: -179.201 flat angles C4'-P-C4' energy: -122.882 flat angles P-C4'-P energy: -98.472 tors. eta vs tors. theta energy: -56.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -884.405120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.405120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.405120 (E_RNA) where: Base-Base interactions energy: -362.894 where: short stacking energy: -323.537 Base-Backbone interact. energy: -1.309 local terms energy: -520.201434 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -168.172 flat angles C4'-P-C4' energy: -121.102 flat angles P-C4'-P energy: -77.129 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -865.930503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.930503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.930503 (E_RNA) where: Base-Base interactions energy: -371.182 where: short stacking energy: -333.186 Base-Backbone interact. energy: 0.529 local terms energy: -495.277115 where: bonds (distance) C4'-P energy: -138.793 bonds (distance) P-C4' energy: -147.414 flat angles C4'-P-C4' energy: -111.538 flat angles P-C4'-P energy: -80.584 tors. eta vs tors. theta energy: -16.947 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: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -829.902696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.902696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.902696 (E_RNA) where: Base-Base interactions energy: -349.255 where: short stacking energy: -324.276 Base-Backbone interact. energy: 0.025 local terms energy: -480.672963 where: bonds (distance) C4'-P energy: -150.587 bonds (distance) P-C4' energy: -127.224 flat angles C4'-P-C4' energy: -125.092 flat angles P-C4'-P energy: -74.832 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1749.109759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.109759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.109759 (E_RNA) where: Base-Base interactions energy: -856.624 where: short stacking energy: -845.992 Base-Backbone interact. energy: -0.266 local terms energy: -892.219550 where: bonds (distance) C4'-P energy: -164.100 bonds (distance) P-C4' energy: -185.760 flat angles C4'-P-C4' energy: -214.645 flat angles P-C4'-P energy: -114.589 tors. eta vs tors. theta energy: -213.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1592.708255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.708255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.708255 (E_RNA) where: Base-Base interactions energy: -799.322 where: short stacking energy: -792.124 Base-Backbone interact. energy: -0.476 local terms energy: -792.909935 where: bonds (distance) C4'-P energy: -175.518 bonds (distance) P-C4' energy: -169.594 flat angles C4'-P-C4' energy: -172.756 flat angles P-C4'-P energy: -107.479 tors. eta vs tors. theta energy: -167.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1397.410343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.410343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.410343 (E_RNA) where: Base-Base interactions energy: -600.032 where: short stacking energy: -573.132 Base-Backbone interact. energy: -1.557 local terms energy: -795.821816 where: bonds (distance) C4'-P energy: -174.936 bonds (distance) P-C4' energy: -182.826 flat angles C4'-P-C4' energy: -183.145 flat angles P-C4'-P energy: -131.948 tors. eta vs tors. theta energy: -122.967 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1361.572197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.572197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.572197 (E_RNA) where: Base-Base interactions energy: -641.900 where: short stacking energy: -628.442 Base-Backbone interact. energy: -1.445 local terms energy: -718.227713 where: bonds (distance) C4'-P energy: -167.940 bonds (distance) P-C4' energy: -158.205 flat angles C4'-P-C4' energy: -168.872 flat angles P-C4'-P energy: -99.844 tors. eta vs tors. theta energy: -123.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1244.489165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.489165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.489165 (E_RNA) where: Base-Base interactions energy: -582.025 where: short stacking energy: -527.604 Base-Backbone interact. energy: -1.089 local terms energy: -661.375149 where: bonds (distance) C4'-P energy: -177.465 bonds (distance) P-C4' energy: -155.735 flat angles C4'-P-C4' energy: -136.104 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -84.583 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: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1093.270391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.270391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.270391 (E_RNA) where: Base-Base interactions energy: -467.295 where: short stacking energy: -441.176 Base-Backbone interact. energy: 0.573 local terms energy: -626.547728 where: bonds (distance) C4'-P energy: -156.484 bonds (distance) P-C4' energy: -185.597 flat angles C4'-P-C4' energy: -144.825 flat angles P-C4'-P energy: -88.117 tors. eta vs tors. theta energy: -51.525 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: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1004.432625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.432625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.432625 (E_RNA) where: Base-Base interactions energy: -440.973 where: short stacking energy: -390.047 Base-Backbone interact. energy: 3.886 local terms energy: -567.345089 where: bonds (distance) C4'-P energy: -180.031 bonds (distance) P-C4' energy: -156.698 flat angles C4'-P-C4' energy: -133.093 flat angles P-C4'-P energy: -73.341 tors. eta vs tors. theta energy: -24.182 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: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -931.396322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.396322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.396322 (E_RNA) where: Base-Base interactions energy: -365.277 where: short stacking energy: -344.741 Base-Backbone interact. energy: -0.622 local terms energy: -565.497026 where: bonds (distance) C4'-P energy: -156.130 bonds (distance) P-C4' energy: -191.753 flat angles C4'-P-C4' energy: -123.017 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -23.604 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: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -813.861348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.861348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.861348 (E_RNA) where: Base-Base interactions energy: -295.386 where: short stacking energy: -271.111 Base-Backbone interact. energy: -2.133 local terms energy: -516.342017 where: bonds (distance) C4'-P energy: -156.520 bonds (distance) P-C4' energy: -159.252 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -85.225 tors. eta vs tors. theta energy: 12.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -780.129926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.129926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.129926 (E_RNA) where: Base-Base interactions energy: -315.929 where: short stacking energy: -270.840 Base-Backbone interact. energy: -1.844 local terms energy: -462.357001 where: bonds (distance) C4'-P energy: -131.046 bonds (distance) P-C4' energy: -170.474 flat angles C4'-P-C4' energy: -120.096 flat angles P-C4'-P energy: -56.734 tors. eta vs tors. theta energy: 15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1765.966817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.966817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.966817 (E_RNA) where: Base-Base interactions energy: -847.349 where: short stacking energy: -839.919 Base-Backbone interact. energy: 1.109 local terms energy: -919.726923 where: bonds (distance) C4'-P energy: -183.146 bonds (distance) P-C4' energy: -193.311 flat angles C4'-P-C4' energy: -201.676 flat angles P-C4'-P energy: -139.205 tors. eta vs tors. theta energy: -202.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1601.076311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.076311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.076311 (E_RNA) where: Base-Base interactions energy: -774.019 where: short stacking energy: -747.428 Base-Backbone interact. energy: 1.375 local terms energy: -828.433203 where: bonds (distance) C4'-P energy: -175.935 bonds (distance) P-C4' energy: -175.412 flat angles C4'-P-C4' energy: -198.828 flat angles P-C4'-P energy: -111.255 tors. eta vs tors. theta energy: -167.004 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: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1449.644024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.644024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.644024 (E_RNA) where: Base-Base interactions energy: -681.313 where: short stacking energy: -647.760 Base-Backbone interact. energy: -1.380 local terms energy: -766.950957 where: bonds (distance) C4'-P energy: -178.261 bonds (distance) P-C4' energy: -184.564 flat angles C4'-P-C4' energy: -168.480 flat angles P-C4'-P energy: -99.271 tors. eta vs tors. theta energy: -136.375 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: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1372.006317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.006317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.006317 (E_RNA) where: Base-Base interactions energy: -631.667 where: short stacking energy: -607.418 Base-Backbone interact. energy: -1.211 local terms energy: -739.128241 where: bonds (distance) C4'-P energy: -168.107 bonds (distance) P-C4' energy: -183.257 flat angles C4'-P-C4' energy: -172.140 flat angles P-C4'-P energy: -98.844 tors. eta vs tors. theta energy: -116.780 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: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1283.697539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.697539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.697539 (E_RNA) where: Base-Base interactions energy: -610.667 where: short stacking energy: -554.319 Base-Backbone interact. energy: 4.656 local terms energy: -677.687068 where: bonds (distance) C4'-P energy: -168.166 bonds (distance) P-C4' energy: -166.894 flat angles C4'-P-C4' energy: -141.540 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -92.738 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: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1076.188184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.188184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.188184 (E_RNA) where: Base-Base interactions energy: -456.151 where: short stacking energy: -406.861 Base-Backbone interact. energy: -3.148 local terms energy: -616.889553 where: bonds (distance) C4'-P energy: -163.117 bonds (distance) P-C4' energy: -169.369 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -99.762 tors. eta vs tors. theta energy: -33.589 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: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -980.738942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.738942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.738942 (E_RNA) where: Base-Base interactions energy: -399.302 where: short stacking energy: -372.906 Base-Backbone interact. energy: 0.347 local terms energy: -581.783346 where: bonds (distance) C4'-P energy: -173.198 bonds (distance) P-C4' energy: -142.342 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -94.646 tors. eta vs tors. theta energy: -32.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -953.598090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.598090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.598090 (E_RNA) where: Base-Base interactions energy: -392.549 where: short stacking energy: -354.571 Base-Backbone interact. energy: 0.774 local terms energy: -561.823129 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -168.005 flat angles C4'-P-C4' energy: -156.873 flat angles P-C4'-P energy: -78.752 tors. eta vs tors. theta energy: -12.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -830.887602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.887602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.887602 (E_RNA) where: Base-Base interactions energy: -382.431 where: short stacking energy: -323.288 Base-Backbone interact. energy: 3.295 local terms energy: -451.750974 where: bonds (distance) C4'-P energy: -124.352 bonds (distance) P-C4' energy: -148.225 flat angles C4'-P-C4' energy: -126.846 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: 18.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -761.976461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.976461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.976461 (E_RNA) where: Base-Base interactions energy: -294.048 where: short stacking energy: -278.492 Base-Backbone interact. energy: 1.996 local terms energy: -469.924574 where: bonds (distance) C4'-P energy: -122.100 bonds (distance) P-C4' energy: -136.632 flat angles C4'-P-C4' energy: -120.253 flat angles P-C4'-P energy: -93.506 tors. eta vs tors. theta energy: 2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1759.422434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.422434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.422434 (E_RNA) where: Base-Base interactions energy: -875.829 where: short stacking energy: -831.259 Base-Backbone interact. energy: 0.478 local terms energy: -884.070869 where: bonds (distance) C4'-P energy: -182.991 bonds (distance) P-C4' energy: -186.244 flat angles C4'-P-C4' energy: -171.822 flat angles P-C4'-P energy: -133.998 tors. eta vs tors. theta energy: -209.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1597.746470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.746470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.746470 (E_RNA) where: Base-Base interactions energy: -778.647 where: short stacking energy: -728.038 Base-Backbone interact. energy: -0.168 local terms energy: -818.930691 where: bonds (distance) C4'-P energy: -151.549 bonds (distance) P-C4' energy: -184.837 flat angles C4'-P-C4' energy: -194.916 flat angles P-C4'-P energy: -120.721 tors. eta vs tors. theta energy: -166.907 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1457.507256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.507256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.507256 (E_RNA) where: Base-Base interactions energy: -685.135 where: short stacking energy: -647.796 Base-Backbone interact. energy: -1.377 local terms energy: -770.994677 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -191.475 flat angles C4'-P-C4' energy: -172.425 flat angles P-C4'-P energy: -111.157 tors. eta vs tors. theta energy: -138.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1381.420725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.420725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.420725 (E_RNA) where: Base-Base interactions energy: -651.560 where: short stacking energy: -594.566 Base-Backbone interact. energy: 2.058 local terms energy: -731.918420 where: bonds (distance) C4'-P energy: -164.497 bonds (distance) P-C4' energy: -172.525 flat angles C4'-P-C4' energy: -160.293 flat angles P-C4'-P energy: -113.202 tors. eta vs tors. theta energy: -121.401 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: 5, replica: 7 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1273.676264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.676264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.676264 (E_RNA) where: Base-Base interactions energy: -604.928 where: short stacking energy: -529.855 Base-Backbone interact. energy: 1.047 local terms energy: -669.794982 where: bonds (distance) C4'-P energy: -160.263 bonds (distance) P-C4' energy: -161.989 flat angles C4'-P-C4' energy: -161.527 flat angles P-C4'-P energy: -98.426 tors. eta vs tors. theta energy: -87.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1104.258831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.258831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.258831 (E_RNA) where: Base-Base interactions energy: -464.958 where: short stacking energy: -447.993 Base-Backbone interact. energy: -0.079 local terms energy: -639.221718 where: bonds (distance) C4'-P energy: -135.807 bonds (distance) P-C4' energy: -182.013 flat angles C4'-P-C4' energy: -156.226 flat angles P-C4'-P energy: -107.325 tors. eta vs tors. theta energy: -57.851 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1009.961197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.961197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.961197 (E_RNA) where: Base-Base interactions energy: -457.746 where: short stacking energy: -422.145 Base-Backbone interact. energy: 3.507 local terms energy: -555.722027 where: bonds (distance) C4'-P energy: -121.322 bonds (distance) P-C4' energy: -161.355 flat angles C4'-P-C4' energy: -142.960 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -50.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -896.319432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.319432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.319432 (E_RNA) where: Base-Base interactions energy: -375.954 where: short stacking energy: -343.754 Base-Backbone interact. energy: -0.235 local terms energy: -520.130464 where: bonds (distance) C4'-P energy: -141.181 bonds (distance) P-C4' energy: -151.545 flat angles C4'-P-C4' energy: -144.978 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -821.425158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.425158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.425158 (E_RNA) where: Base-Base interactions energy: -325.956 where: short stacking energy: -284.193 Base-Backbone interact. energy: -1.342 local terms energy: -494.127407 where: bonds (distance) C4'-P energy: -149.858 bonds (distance) P-C4' energy: -147.610 flat angles C4'-P-C4' energy: -110.556 flat angles P-C4'-P energy: -80.919 tors. eta vs tors. theta energy: -5.185 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -729.443228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.443228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.443228 (E_RNA) where: Base-Base interactions energy: -286.552 where: short stacking energy: -238.624 Base-Backbone interact. energy: 7.801 local terms energy: -450.693000 where: bonds (distance) C4'-P energy: -147.406 bonds (distance) P-C4' energy: -133.161 flat angles C4'-P-C4' energy: -137.948 flat angles P-C4'-P energy: -61.579 tors. eta vs tors. theta energy: 29.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1876.421054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.421054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.421054 (E_RNA) where: Base-Base interactions energy: -925.889 where: short stacking energy: -886.232 Base-Backbone interact. energy: -1.645 local terms energy: -948.886544 where: bonds (distance) C4'-P energy: -187.864 bonds (distance) P-C4' energy: -183.168 flat angles C4'-P-C4' energy: -211.398 flat angles P-C4'-P energy: -136.660 tors. eta vs tors. theta energy: -229.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1624.579767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.579767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.579767 (E_RNA) where: Base-Base interactions energy: -790.905 where: short stacking energy: -766.110 Base-Backbone interact. energy: -0.348 local terms energy: -833.327091 where: bonds (distance) C4'-P energy: -174.635 bonds (distance) P-C4' energy: -173.702 flat angles C4'-P-C4' energy: -181.123 flat angles P-C4'-P energy: -122.464 tors. eta vs tors. theta energy: -181.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1570.723351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.723351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.723351 (E_RNA) where: Base-Base interactions energy: -746.209 where: short stacking energy: -733.253 Base-Backbone interact. energy: 3.490 local terms energy: -828.004177 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -179.318 flat angles C4'-P-C4' energy: -193.203 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -187.632 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1479.209519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.209519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.209519 (E_RNA) where: Base-Base interactions energy: -740.882 where: short stacking energy: -649.146 Base-Backbone interact. energy: 1.441 local terms energy: -739.767988 where: bonds (distance) C4'-P energy: -143.114 bonds (distance) P-C4' energy: -176.933 flat angles C4'-P-C4' energy: -199.661 flat angles P-C4'-P energy: -98.311 tors. eta vs tors. theta energy: -121.749 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1263.572142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.572142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.572142 (E_RNA) where: Base-Base interactions energy: -582.937 where: short stacking energy: -513.831 Base-Backbone interact. energy: -3.151 local terms energy: -677.484213 where: bonds (distance) C4'-P energy: -147.798 bonds (distance) P-C4' energy: -187.067 flat angles C4'-P-C4' energy: -164.093 flat angles P-C4'-P energy: -93.375 tors. eta vs tors. theta energy: -85.152 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: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1104.712106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.712106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.712106 (E_RNA) where: Base-Base interactions energy: -459.816 where: short stacking energy: -414.886 Base-Backbone interact. energy: 3.570 local terms energy: -648.465911 where: bonds (distance) C4'-P energy: -151.202 bonds (distance) P-C4' energy: -174.432 flat angles C4'-P-C4' energy: -152.627 flat angles P-C4'-P energy: -107.457 tors. eta vs tors. theta energy: -62.748 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: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1010.574120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.574120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.574120 (E_RNA) where: Base-Base interactions energy: -416.585 where: short stacking energy: -384.620 Base-Backbone interact. energy: 4.383 local terms energy: -598.371764 where: bonds (distance) C4'-P energy: -162.998 bonds (distance) P-C4' energy: -151.248 flat angles C4'-P-C4' energy: -156.454 flat angles P-C4'-P energy: -77.052 tors. eta vs tors. theta energy: -50.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -911.015112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.015112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.015112 (E_RNA) where: Base-Base interactions energy: -373.451 where: short stacking energy: -359.415 Base-Backbone interact. energy: 0.813 local terms energy: -538.376389 where: bonds (distance) C4'-P energy: -141.156 bonds (distance) P-C4' energy: -153.206 flat angles C4'-P-C4' energy: -135.162 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -12.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -816.943229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.943229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.943229 (E_RNA) where: Base-Base interactions energy: -321.068 where: short stacking energy: -294.484 Base-Backbone interact. energy: 4.015 local terms energy: -499.890264 where: bonds (distance) C4'-P energy: -140.759 bonds (distance) P-C4' energy: -158.699 flat angles C4'-P-C4' energy: -128.904 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: 13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -799.524336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.524336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.524336 (E_RNA) where: Base-Base interactions energy: -331.206 where: short stacking energy: -303.221 Base-Backbone interact. energy: -1.582 local terms energy: -466.735994 where: bonds (distance) C4'-P energy: -139.382 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -104.762 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1811.501152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.501152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.501152 (E_RNA) where: Base-Base interactions energy: -914.073 where: short stacking energy: -864.221 Base-Backbone interact. energy: -1.073 local terms energy: -896.355474 where: bonds (distance) C4'-P energy: -189.040 bonds (distance) P-C4' energy: -181.449 flat angles C4'-P-C4' energy: -183.245 flat angles P-C4'-P energy: -126.081 tors. eta vs tors. theta energy: -216.540 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: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1690.883965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.883965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.883965 (E_RNA) where: Base-Base interactions energy: -857.417 where: short stacking energy: -780.776 Base-Backbone interact. energy: -0.800 local terms energy: -832.666958 where: bonds (distance) C4'-P energy: -157.178 bonds (distance) P-C4' energy: -181.207 flat angles C4'-P-C4' energy: -195.344 flat angles P-C4'-P energy: -127.393 tors. eta vs tors. theta energy: -171.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1520.180410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.180410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.180410 (E_RNA) where: Base-Base interactions energy: -717.189 where: short stacking energy: -685.090 Base-Backbone interact. energy: -0.994 local terms energy: -801.997426 where: bonds (distance) C4'-P energy: -153.209 bonds (distance) P-C4' energy: -184.332 flat angles C4'-P-C4' energy: -197.850 flat angles P-C4'-P energy: -120.097 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: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1503.154376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.154376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.154376 (E_RNA) where: Base-Base interactions energy: -787.813 where: short stacking energy: -650.050 Base-Backbone interact. energy: -4.176 local terms energy: -711.165355 where: bonds (distance) C4'-P energy: -165.553 bonds (distance) P-C4' energy: -143.792 flat angles C4'-P-C4' energy: -174.455 flat angles P-C4'-P energy: -93.836 tors. eta vs tors. theta energy: -133.530 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: 7 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1288.685222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.685222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.685222 (E_RNA) where: Base-Base interactions energy: -614.252 where: short stacking energy: -499.202 Base-Backbone interact. energy: -1.094 local terms energy: -673.339623 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -174.247 flat angles C4'-P-C4' energy: -159.559 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -78.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1183.822870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.822870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.822870 (E_RNA) where: Base-Base interactions energy: -536.092 where: short stacking energy: -436.014 Base-Backbone interact. energy: -0.853 local terms energy: -646.877251 where: bonds (distance) C4'-P energy: -150.755 bonds (distance) P-C4' energy: -157.855 flat angles C4'-P-C4' energy: -168.245 flat angles P-C4'-P energy: -107.855 tors. eta vs tors. theta energy: -62.167 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: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1055.485072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.485072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.485072 (E_RNA) where: Base-Base interactions energy: -457.979 where: short stacking energy: -412.572 Base-Backbone interact. energy: -0.434 local terms energy: -597.072030 where: bonds (distance) C4'-P energy: -145.666 bonds (distance) P-C4' energy: -167.608 flat angles C4'-P-C4' energy: -149.529 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -45.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -902.561367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.561367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.561367 (E_RNA) where: Base-Base interactions energy: -390.421 where: short stacking energy: -344.216 Base-Backbone interact. energy: 4.933 local terms energy: -517.073366 where: bonds (distance) C4'-P energy: -153.267 bonds (distance) P-C4' energy: -172.621 flat angles C4'-P-C4' energy: -130.876 flat angles P-C4'-P energy: -67.234 tors. eta vs tors. theta energy: 6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -869.567837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.567837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.567837 (E_RNA) where: Base-Base interactions energy: -370.180 where: short stacking energy: -255.928 Base-Backbone interact. energy: 3.056 local terms energy: -502.444345 where: bonds (distance) C4'-P energy: -153.125 bonds (distance) P-C4' energy: -145.442 flat angles C4'-P-C4' energy: -147.270 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: 23.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -762.749641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.749641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.749641 (E_RNA) where: Base-Base interactions energy: -272.176 where: short stacking energy: -262.529 Base-Backbone interact. energy: -2.819 local terms energy: -487.754965 where: bonds (distance) C4'-P energy: -141.763 bonds (distance) P-C4' energy: -155.057 flat angles C4'-P-C4' energy: -118.463 flat angles P-C4'-P energy: -81.052 tors. eta vs tors. theta energy: 8.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1787.240024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.240024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.240024 (E_RNA) where: Base-Base interactions energy: -919.283 where: short stacking energy: -829.810 Base-Backbone interact. energy: 1.521 local terms energy: -869.478065 where: bonds (distance) C4'-P energy: -169.113 bonds (distance) P-C4' energy: -200.318 flat angles C4'-P-C4' energy: -197.386 flat angles P-C4'-P energy: -100.301 tors. eta vs tors. theta energy: -202.360 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: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1658.356563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.356563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.356563 (E_RNA) where: Base-Base interactions energy: -829.884 where: short stacking energy: -766.268 Base-Backbone interact. energy: 1.841 local terms energy: -830.313410 where: bonds (distance) C4'-P energy: -179.677 bonds (distance) P-C4' energy: -174.402 flat angles C4'-P-C4' energy: -179.860 flat angles P-C4'-P energy: -123.441 tors. eta vs tors. theta energy: -172.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1647.156056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.156056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.156056 (E_RNA) where: Base-Base interactions energy: -857.442 where: short stacking energy: -698.182 Base-Backbone interact. energy: 1.095 local terms energy: -790.809010 where: bonds (distance) C4'-P energy: -178.257 bonds (distance) P-C4' energy: -157.706 flat angles C4'-P-C4' energy: -191.162 flat angles P-C4'-P energy: -118.879 tors. eta vs tors. theta energy: -144.804 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1426.625775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.625775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.625775 (E_RNA) where: Base-Base interactions energy: -687.172 where: short stacking energy: -613.931 Base-Backbone interact. energy: 0.309 local terms energy: -739.763684 where: bonds (distance) C4'-P energy: -152.935 bonds (distance) P-C4' energy: -186.791 flat angles C4'-P-C4' energy: -171.755 flat angles P-C4'-P energy: -94.290 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: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1331.861930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.861930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.861930 (E_RNA) where: Base-Base interactions energy: -638.936 where: short stacking energy: -517.912 Base-Backbone interact. energy: 0.011 local terms energy: -692.936791 where: bonds (distance) C4'-P energy: -157.794 bonds (distance) P-C4' energy: -163.503 flat angles C4'-P-C4' energy: -164.398 flat angles P-C4'-P energy: -107.851 tors. eta vs tors. theta energy: -99.392 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: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1188.548643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.548643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.548643 (E_RNA) where: Base-Base interactions energy: -562.861 where: short stacking energy: -463.197 Base-Backbone interact. energy: 5.897 local terms energy: -631.585309 where: bonds (distance) C4'-P energy: -158.041 bonds (distance) P-C4' energy: -163.458 flat angles C4'-P-C4' energy: -146.235 flat angles P-C4'-P energy: -103.766 tors. eta vs tors. theta energy: -60.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -981.847878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.847878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.847878 (E_RNA) where: Base-Base interactions energy: -423.635 where: short stacking energy: -380.128 Base-Backbone interact. energy: -0.313 local terms energy: -557.900398 where: bonds (distance) C4'-P energy: -143.664 bonds (distance) P-C4' energy: -160.045 flat angles C4'-P-C4' energy: -152.232 flat angles P-C4'-P energy: -70.552 tors. eta vs tors. theta energy: -31.408 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1001.742078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.742078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.742078 (E_RNA) where: Base-Base interactions energy: -449.306 where: short stacking energy: -363.138 Base-Backbone interact. energy: 0.408 local terms energy: -552.844128 where: bonds (distance) C4'-P energy: -132.968 bonds (distance) P-C4' energy: -173.893 flat angles C4'-P-C4' energy: -144.862 flat angles P-C4'-P energy: -68.473 tors. eta vs tors. theta energy: -32.648 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: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -826.632720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.632720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.632720 (E_RNA) where: Base-Base interactions energy: -341.360 where: short stacking energy: -317.567 Base-Backbone interact. energy: 0.839 local terms energy: -486.111321 where: bonds (distance) C4'-P energy: -141.389 bonds (distance) P-C4' energy: -145.334 flat angles C4'-P-C4' energy: -120.506 flat angles P-C4'-P energy: -82.349 tors. eta vs tors. theta energy: 3.467 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -805.582968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.582968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.582968 (E_RNA) where: Base-Base interactions energy: -330.420 where: short stacking energy: -288.413 Base-Backbone interact. energy: 2.450 local terms energy: -477.613843 where: bonds (distance) C4'-P energy: -128.103 bonds (distance) P-C4' energy: -133.449 flat angles C4'-P-C4' energy: -141.252 flat angles P-C4'-P energy: -77.768 tors. eta vs tors. theta energy: 2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1856.351620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.351620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.351620 (E_RNA) where: Base-Base interactions energy: -942.493 where: short stacking energy: -825.701 Base-Backbone interact. energy: -0.713 local terms energy: -913.146206 where: bonds (distance) C4'-P energy: -179.581 bonds (distance) P-C4' energy: -197.354 flat angles C4'-P-C4' energy: -205.819 flat angles P-C4'-P energy: -120.209 tors. eta vs tors. theta energy: -210.182 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: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1696.179672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.179672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.179672 (E_RNA) where: Base-Base interactions energy: -830.483 where: short stacking energy: -780.261 Base-Backbone interact. energy: -1.799 local terms energy: -863.897032 where: bonds (distance) C4'-P energy: -174.786 bonds (distance) P-C4' energy: -181.215 flat angles C4'-P-C4' energy: -197.021 flat angles P-C4'-P energy: -128.897 tors. eta vs tors. theta energy: -181.978 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: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1625.080058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.080058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.080058 (E_RNA) where: Base-Base interactions energy: -826.865 where: short stacking energy: -674.998 Base-Backbone interact. energy: -1.738 local terms energy: -796.477644 where: bonds (distance) C4'-P energy: -174.931 bonds (distance) P-C4' energy: -177.209 flat angles C4'-P-C4' energy: -182.797 flat angles P-C4'-P energy: -109.348 tors. eta vs tors. theta energy: -152.194 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: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1468.820752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.820752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.820752 (E_RNA) where: Base-Base interactions energy: -721.013 where: short stacking energy: -586.242 Base-Backbone interact. energy: 0.381 local terms energy: -748.189077 where: bonds (distance) C4'-P energy: -162.266 bonds (distance) P-C4' energy: -186.497 flat angles C4'-P-C4' energy: -181.875 flat angles P-C4'-P energy: -112.341 tors. eta vs tors. theta energy: -105.209 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: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1346.026822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.026822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.026822 (E_RNA) where: Base-Base interactions energy: -656.843 where: short stacking energy: -533.620 Base-Backbone interact. energy: -5.444 local terms energy: -683.739709 where: bonds (distance) C4'-P energy: -153.505 bonds (distance) P-C4' energy: -190.053 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -95.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1256.213268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.213268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.213268 (E_RNA) where: Base-Base interactions energy: -609.870 where: short stacking energy: -524.164 Base-Backbone interact. energy: 5.282 local terms energy: -651.625388 where: bonds (distance) C4'-P energy: -160.279 bonds (distance) P-C4' energy: -154.412 flat angles C4'-P-C4' energy: -154.366 flat angles P-C4'-P energy: -96.920 tors. eta vs tors. theta energy: -85.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1022.615218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.615218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.615218 (E_RNA) where: Base-Base interactions energy: -424.260 where: short stacking energy: -370.325 Base-Backbone interact. energy: 6.672 local terms energy: -605.027380 where: bonds (distance) C4'-P energy: -168.143 bonds (distance) P-C4' energy: -170.566 flat angles C4'-P-C4' energy: -146.878 flat angles P-C4'-P energy: -92.820 tors. eta vs tors. theta energy: -26.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -988.339093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.339093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.339093 (E_RNA) where: Base-Base interactions energy: -438.963 where: short stacking energy: -375.645 Base-Backbone interact. energy: 4.519 local terms energy: -553.894731 where: bonds (distance) C4'-P energy: -127.255 bonds (distance) P-C4' energy: -163.897 flat angles C4'-P-C4' energy: -144.729 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -21.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -838.630822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.630822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.630822 (E_RNA) where: Base-Base interactions energy: -343.602 where: short stacking energy: -313.326 Base-Backbone interact. energy: 1.402 local terms energy: -496.431378 where: bonds (distance) C4'-P energy: -141.907 bonds (distance) P-C4' energy: -141.859 flat angles C4'-P-C4' energy: -123.245 flat angles P-C4'-P energy: -82.240 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -759.365176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.365176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.365176 (E_RNA) where: Base-Base interactions energy: -301.660 where: short stacking energy: -276.630 Base-Backbone interact. energy: 0.367 local terms energy: -458.072301 where: bonds (distance) C4'-P energy: -135.218 bonds (distance) P-C4' energy: -139.846 flat angles C4'-P-C4' energy: -133.686 flat angles P-C4'-P energy: -71.850 tors. eta vs tors. theta energy: 22.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1896.569315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.569315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.569315 (E_RNA) where: Base-Base interactions energy: -970.119 where: short stacking energy: -859.334 Base-Backbone interact. energy: 1.049 local terms energy: -927.499895 where: bonds (distance) C4'-P energy: -178.819 bonds (distance) P-C4' energy: -206.808 flat angles C4'-P-C4' energy: -188.981 flat angles P-C4'-P energy: -129.018 tors. eta vs tors. theta energy: -223.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1711.589284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.589284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.589284 (E_RNA) where: Base-Base interactions energy: -854.630 where: short stacking energy: -825.828 Base-Backbone interact. energy: -0.611 local terms energy: -856.348496 where: bonds (distance) C4'-P energy: -159.911 bonds (distance) P-C4' energy: -186.957 flat angles C4'-P-C4' energy: -183.848 flat angles P-C4'-P energy: -113.648 tors. eta vs tors. theta energy: -211.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1676.985013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.985013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.985013 (E_RNA) where: Base-Base interactions energy: -861.981 where: short stacking energy: -660.057 Base-Backbone interact. energy: -5.111 local terms energy: -809.892533 where: bonds (distance) C4'-P energy: -170.984 bonds (distance) P-C4' energy: -188.719 flat angles C4'-P-C4' energy: -175.310 flat angles P-C4'-P energy: -131.937 tors. eta vs tors. theta energy: -142.943 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: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1417.121742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.121742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.121742 (E_RNA) where: Base-Base interactions energy: -706.444 where: short stacking energy: -598.217 Base-Backbone interact. energy: 7.858 local terms energy: -718.535309 where: bonds (distance) C4'-P energy: -173.101 bonds (distance) P-C4' energy: -155.302 flat angles C4'-P-C4' energy: -165.547 flat angles P-C4'-P energy: -112.268 tors. eta vs tors. theta energy: -112.317 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: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1353.622269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.622269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.622269 (E_RNA) where: Base-Base interactions energy: -639.525 where: short stacking energy: -534.801 Base-Backbone interact. energy: 2.110 local terms energy: -716.207013 where: bonds (distance) C4'-P energy: -162.015 bonds (distance) P-C4' energy: -173.678 flat angles C4'-P-C4' energy: -183.894 flat angles P-C4'-P energy: -102.005 tors. eta vs tors. theta energy: -94.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1178.535193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.535193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.535193 (E_RNA) where: Base-Base interactions energy: -533.099 where: short stacking energy: -447.873 Base-Backbone interact. energy: -0.855 local terms energy: -644.580975 where: bonds (distance) C4'-P energy: -174.049 bonds (distance) P-C4' energy: -162.579 flat angles C4'-P-C4' energy: -151.746 flat angles P-C4'-P energy: -112.028 tors. eta vs tors. theta energy: -44.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1033.476250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.476250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.476250 (E_RNA) where: Base-Base interactions energy: -487.290 where: short stacking energy: -443.562 Base-Backbone interact. energy: 0.754 local terms energy: -546.939529 where: bonds (distance) C4'-P energy: -137.498 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -142.952 flat angles P-C4'-P energy: -80.558 tors. eta vs tors. theta energy: -50.086 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: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -922.913874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.913874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.913874 (E_RNA) where: Base-Base interactions energy: -378.554 where: short stacking energy: -352.617 Base-Backbone interact. energy: 0.070 local terms energy: -544.429784 where: bonds (distance) C4'-P energy: -141.995 bonds (distance) P-C4' energy: -170.348 flat angles C4'-P-C4' energy: -142.176 flat angles P-C4'-P energy: -70.873 tors. eta vs tors. theta energy: -19.038 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: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -826.678941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.678941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.678941 (E_RNA) where: Base-Base interactions energy: -337.964 where: short stacking energy: -291.276 Base-Backbone interact. energy: 1.828 local terms energy: -490.542907 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -159.469 flat angles C4'-P-C4' energy: -114.088 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -13.878 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: 12 Temperature: 1.350000 Total energy: -722.249157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.249157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.249157 (E_RNA) where: Base-Base interactions energy: -265.939 where: short stacking energy: -235.718 Base-Backbone interact. energy: 1.860 local terms energy: -458.170775 where: bonds (distance) C4'-P energy: -131.319 bonds (distance) P-C4' energy: -159.161 flat angles C4'-P-C4' energy: -130.807 flat angles P-C4'-P energy: -70.730 tors. eta vs tors. theta energy: 33.845 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: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1799.650289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.650289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.650289 (E_RNA) where: Base-Base interactions energy: -933.610 where: short stacking energy: -809.075 Base-Backbone interact. energy: -3.566 local terms energy: -862.474447 where: bonds (distance) C4'-P energy: -186.335 bonds (distance) P-C4' energy: -175.186 flat angles C4'-P-C4' energy: -196.817 flat angles P-C4'-P energy: -123.106 tors. eta vs tors. theta energy: -181.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1687.313210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.313210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.313210 (E_RNA) where: Base-Base interactions energy: -813.005 where: short stacking energy: -756.209 Base-Backbone interact. energy: -1.881 local terms energy: -872.427778 where: bonds (distance) C4'-P energy: -176.345 bonds (distance) P-C4' energy: -192.082 flat angles C4'-P-C4' energy: -185.271 flat angles P-C4'-P energy: -134.237 tors. eta vs tors. theta energy: -184.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1644.031242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.031242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.031242 (E_RNA) where: Base-Base interactions energy: -854.683 where: short stacking energy: -692.979 Base-Backbone interact. energy: -2.600 local terms energy: -786.748441 where: bonds (distance) C4'-P energy: -168.409 bonds (distance) P-C4' energy: -176.164 flat angles C4'-P-C4' energy: -188.692 flat angles P-C4'-P energy: -105.675 tors. eta vs tors. theta energy: -147.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1538.982458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.982458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.982458 (E_RNA) where: Base-Base interactions energy: -845.671 where: short stacking energy: -630.259 Base-Backbone interact. energy: -1.548 local terms energy: -691.764029 where: bonds (distance) C4'-P energy: -152.121 bonds (distance) P-C4' energy: -158.019 flat angles C4'-P-C4' energy: -161.560 flat angles P-C4'-P energy: -110.800 tors. eta vs tors. theta energy: -109.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1281.258786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.258786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.258786 (E_RNA) where: Base-Base interactions energy: -612.638 where: short stacking energy: -515.334 Base-Backbone interact. energy: 0.657 local terms energy: -669.277434 where: bonds (distance) C4'-P energy: -160.866 bonds (distance) P-C4' energy: -166.679 flat angles C4'-P-C4' energy: -158.390 flat angles P-C4'-P energy: -98.469 tors. eta vs tors. theta energy: -84.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1208.674249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.674249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.674249 (E_RNA) where: Base-Base interactions energy: -558.661 where: short stacking energy: -464.424 Base-Backbone interact. energy: -0.730 local terms energy: -649.283465 where: bonds (distance) C4'-P energy: -157.049 bonds (distance) P-C4' energy: -170.307 flat angles C4'-P-C4' energy: -163.294 flat angles P-C4'-P energy: -91.668 tors. eta vs tors. theta energy: -66.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1039.910361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.910361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.910361 (E_RNA) where: Base-Base interactions energy: -469.484 where: short stacking energy: -425.175 Base-Backbone interact. energy: -3.552 local terms energy: -566.874231 where: bonds (distance) C4'-P energy: -140.955 bonds (distance) P-C4' energy: -152.892 flat angles C4'-P-C4' energy: -150.250 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: -45.072 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: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -885.771892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.771892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.771892 (E_RNA) where: Base-Base interactions energy: -357.358 where: short stacking energy: -333.294 Base-Backbone interact. energy: 0.264 local terms energy: -528.678273 where: bonds (distance) C4'-P energy: -133.780 bonds (distance) P-C4' energy: -171.283 flat angles C4'-P-C4' energy: -157.201 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -823.057325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.057325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.057325 (E_RNA) where: Base-Base interactions energy: -338.600 where: short stacking energy: -298.605 Base-Backbone interact. energy: -1.856 local terms energy: -482.601532 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -142.010 flat angles C4'-P-C4' energy: -136.360 flat angles P-C4'-P energy: -67.904 tors. eta vs tors. theta energy: 6.793 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: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -728.028819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.028819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.028819 (E_RNA) where: Base-Base interactions energy: -288.091 where: short stacking energy: -248.279 Base-Backbone interact. energy: 8.354 local terms energy: -448.291225 where: bonds (distance) C4'-P energy: -128.893 bonds (distance) P-C4' energy: -152.687 flat angles C4'-P-C4' energy: -114.914 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: 23.066 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: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1826.419306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.419306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.419306 (E_RNA) where: Base-Base interactions energy: -961.173 where: short stacking energy: -812.971 Base-Backbone interact. energy: 2.153 local terms energy: -867.399477 where: bonds (distance) C4'-P energy: -168.754 bonds (distance) P-C4' energy: -190.460 flat angles C4'-P-C4' energy: -213.751 flat angles P-C4'-P energy: -123.329 tors. eta vs tors. theta energy: -171.106 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: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1769.063514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.063514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.063514 (E_RNA) where: Base-Base interactions energy: -884.608 where: short stacking energy: -792.924 Base-Backbone interact. energy: 0.210 local terms energy: -884.665074 where: bonds (distance) C4'-P energy: -165.735 bonds (distance) P-C4' energy: -187.121 flat angles C4'-P-C4' energy: -208.189 flat angles P-C4'-P energy: -120.964 tors. eta vs tors. theta energy: -202.656 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: 14 Temperature: 1.000000 Total energy: -1665.764751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.764751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.764751 (E_RNA) where: Base-Base interactions energy: -872.091 where: short stacking energy: -700.869 Base-Backbone interact. energy: 3.266 local terms energy: -796.940594 where: bonds (distance) C4'-P energy: -184.009 bonds (distance) P-C4' energy: -169.394 flat angles C4'-P-C4' energy: -180.890 flat angles P-C4'-P energy: -112.785 tors. eta vs tors. theta energy: -149.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1520.600897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.600897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.600897 (E_RNA) where: Base-Base interactions energy: -817.332 where: short stacking energy: -589.094 Base-Backbone interact. energy: 6.322 local terms energy: -709.590581 where: bonds (distance) C4'-P energy: -148.822 bonds (distance) P-C4' energy: -176.565 flat angles C4'-P-C4' energy: -177.118 flat angles P-C4'-P energy: -109.564 tors. eta vs tors. theta energy: -97.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1248.929245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.929245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.929245 (E_RNA) where: Base-Base interactions energy: -589.827 where: short stacking energy: -504.885 Base-Backbone interact. energy: 0.224 local terms energy: -659.326418 where: bonds (distance) C4'-P energy: -160.523 bonds (distance) P-C4' energy: -177.912 flat angles C4'-P-C4' energy: -156.027 flat angles P-C4'-P energy: -103.782 tors. eta vs tors. theta energy: -61.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1201.836673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.836673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.836673 (E_RNA) where: Base-Base interactions energy: -582.123 where: short stacking energy: -461.132 Base-Backbone interact. energy: 5.996 local terms energy: -625.709629 where: bonds (distance) C4'-P energy: -163.234 bonds (distance) P-C4' energy: -171.895 flat angles C4'-P-C4' energy: -153.125 flat angles P-C4'-P energy: -82.256 tors. eta vs tors. theta energy: -55.200 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: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1047.296942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.296942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.296942 (E_RNA) where: Base-Base interactions energy: -450.726 where: short stacking energy: -412.439 Base-Backbone interact. energy: 0.505 local terms energy: -597.076647 where: bonds (distance) C4'-P energy: -163.520 bonds (distance) P-C4' energy: -159.216 flat angles C4'-P-C4' energy: -135.642 flat angles P-C4'-P energy: -100.559 tors. eta vs tors. theta energy: -38.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -944.459636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.459636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.459636 (E_RNA) where: Base-Base interactions energy: -404.722 where: short stacking energy: -355.900 Base-Backbone interact. energy: 8.052 local terms energy: -547.789924 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -169.336 flat angles C4'-P-C4' energy: -157.774 flat angles P-C4'-P energy: -74.043 tors. eta vs tors. theta energy: -12.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -839.034160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.034160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.034160 (E_RNA) where: Base-Base interactions energy: -306.535 where: short stacking energy: -278.539 Base-Backbone interact. energy: 5.361 local terms energy: -537.860269 where: bonds (distance) C4'-P energy: -137.289 bonds (distance) P-C4' energy: -165.369 flat angles C4'-P-C4' energy: -124.213 flat angles P-C4'-P energy: -98.285 tors. eta vs tors. theta energy: -12.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -828.185367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.185367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.185367 (E_RNA) where: Base-Base interactions energy: -309.176 where: short stacking energy: -287.103 Base-Backbone interact. energy: 0.334 local terms energy: -519.343496 where: bonds (distance) C4'-P energy: -150.524 bonds (distance) P-C4' energy: -165.625 flat angles C4'-P-C4' energy: -132.741 flat angles P-C4'-P energy: -72.863 tors. eta vs tors. theta energy: 2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1951.029024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.029024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.029024 (E_RNA) where: Base-Base interactions energy: -1024.966 where: short stacking energy: -851.042 Base-Backbone interact. energy: -3.617 local terms energy: -922.446009 where: bonds (distance) C4'-P energy: -189.839 bonds (distance) P-C4' energy: -193.790 flat angles C4'-P-C4' energy: -204.394 flat angles P-C4'-P energy: -130.465 tors. eta vs tors. theta energy: -203.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1754.063337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.063337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.063337 (E_RNA) where: Base-Base interactions energy: -858.865 where: short stacking energy: -767.259 Base-Backbone interact. energy: -3.115 local terms energy: -892.083398 where: bonds (distance) C4'-P energy: -184.397 bonds (distance) P-C4' energy: -193.372 flat angles C4'-P-C4' energy: -198.718 flat angles P-C4'-P energy: -119.922 tors. eta vs tors. theta energy: -195.676 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: 15 Temperature: 1.000000 Total energy: -1747.760200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.760200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.760200 (E_RNA) where: Base-Base interactions energy: -899.432 where: short stacking energy: -731.651 Base-Backbone interact. energy: -0.676 local terms energy: -847.652154 where: bonds (distance) C4'-P energy: -167.595 bonds (distance) P-C4' energy: -184.428 flat angles C4'-P-C4' energy: -193.488 flat angles P-C4'-P energy: -123.867 tors. eta vs tors. theta energy: -178.275 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: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1529.138675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.138675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.138675 (E_RNA) where: Base-Base interactions energy: -809.198 where: short stacking energy: -603.294 Base-Backbone interact. energy: -1.311 local terms energy: -718.628905 where: bonds (distance) C4'-P energy: -153.755 bonds (distance) P-C4' energy: -176.335 flat angles C4'-P-C4' energy: -162.948 flat angles P-C4'-P energy: -105.244 tors. eta vs tors. theta energy: -120.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1265.610958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.610958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.610958 (E_RNA) where: Base-Base interactions energy: -603.273 where: short stacking energy: -514.949 Base-Backbone interact. energy: -0.160 local terms energy: -662.178157 where: bonds (distance) C4'-P energy: -159.539 bonds (distance) P-C4' energy: -171.432 flat angles C4'-P-C4' energy: -167.354 flat angles P-C4'-P energy: -94.978 tors. eta vs tors. theta energy: -68.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1165.454421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.454421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.454421 (E_RNA) where: Base-Base interactions energy: -570.874 where: short stacking energy: -494.849 Base-Backbone interact. energy: 1.671 local terms energy: -596.251860 where: bonds (distance) C4'-P energy: -133.907 bonds (distance) P-C4' energy: -154.957 flat angles C4'-P-C4' energy: -150.195 flat angles P-C4'-P energy: -102.172 tors. eta vs tors. theta energy: -55.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1070.164636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.164636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.164636 (E_RNA) where: Base-Base interactions energy: -508.461 where: short stacking energy: -387.021 Base-Backbone interact. energy: 0.742 local terms energy: -562.445314 where: bonds (distance) C4'-P energy: -146.697 bonds (distance) P-C4' energy: -162.051 flat angles C4'-P-C4' energy: -133.289 flat angles P-C4'-P energy: -76.368 tors. eta vs tors. theta energy: -44.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -868.966581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.966581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.966581 (E_RNA) where: Base-Base interactions energy: -348.174 where: short stacking energy: -326.025 Base-Backbone interact. energy: 3.928 local terms energy: -524.720721 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -155.284 flat angles C4'-P-C4' energy: -146.794 flat angles P-C4'-P energy: -56.239 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -857.229239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.229239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.229239 (E_RNA) where: Base-Base interactions energy: -347.341 where: short stacking energy: -317.456 Base-Backbone interact. energy: -1.163 local terms energy: -508.725601 where: bonds (distance) C4'-P energy: -132.299 bonds (distance) P-C4' energy: -170.833 flat angles C4'-P-C4' energy: -124.166 flat angles P-C4'-P energy: -77.786 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -747.138287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.138287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.138287 (E_RNA) where: Base-Base interactions energy: -278.043 where: short stacking energy: -247.403 Base-Backbone interact. energy: -0.732 local terms energy: -468.362699 where: bonds (distance) C4'-P energy: -137.609 bonds (distance) P-C4' energy: -154.696 flat angles C4'-P-C4' energy: -129.525 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: 29.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1968.831610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.831610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.831610 (E_RNA) where: Base-Base interactions energy: -1046.277 where: short stacking energy: -889.497 Base-Backbone interact. energy: 0.001 local terms energy: -922.555507 where: bonds (distance) C4'-P energy: -190.149 bonds (distance) P-C4' energy: -192.017 flat angles C4'-P-C4' energy: -212.017 flat angles P-C4'-P energy: -111.819 tors. eta vs tors. theta energy: -216.554 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: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1788.530652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.530652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.530652 (E_RNA) where: Base-Base interactions energy: -925.444 where: short stacking energy: -808.060 Base-Backbone interact. energy: 2.886 local terms energy: -865.972386 where: bonds (distance) C4'-P energy: -174.086 bonds (distance) P-C4' energy: -186.012 flat angles C4'-P-C4' energy: -174.534 flat angles P-C4'-P energy: -134.364 tors. eta vs tors. theta energy: -196.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1715.714228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.714228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.714228 (E_RNA) where: Base-Base interactions energy: -931.040 where: short stacking energy: -722.805 Base-Backbone interact. energy: -0.187 local terms energy: -784.487080 where: bonds (distance) C4'-P energy: -175.484 bonds (distance) P-C4' energy: -173.624 flat angles C4'-P-C4' energy: -175.929 flat angles P-C4'-P energy: -96.990 tors. eta vs tors. theta energy: -162.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1663.524937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.524937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.524937 (E_RNA) where: Base-Base interactions energy: -928.341 where: short stacking energy: -702.359 Base-Backbone interact. energy: -1.915 local terms energy: -733.268230 where: bonds (distance) C4'-P energy: -150.945 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -169.173 flat angles P-C4'-P energy: -105.019 tors. eta vs tors. theta energy: -139.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1325.646654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.646654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.646654 (E_RNA) where: Base-Base interactions energy: -613.763 where: short stacking energy: -548.686 Base-Backbone interact. energy: 0.622 local terms energy: -712.505550 where: bonds (distance) C4'-P energy: -156.448 bonds (distance) P-C4' energy: -168.822 flat angles C4'-P-C4' energy: -167.596 flat angles P-C4'-P energy: -101.156 tors. eta vs tors. theta energy: -118.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1381.028978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.028978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.028978 (E_RNA) where: Base-Base interactions energy: -705.592 where: short stacking energy: -545.631 Base-Backbone interact. energy: 3.935 local terms energy: -679.372494 where: bonds (distance) C4'-P energy: -161.028 bonds (distance) P-C4' energy: -159.375 flat angles C4'-P-C4' energy: -170.793 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -87.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1116.841597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.841597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.841597 (E_RNA) where: Base-Base interactions energy: -530.245 where: short stacking energy: -436.636 Base-Backbone interact. energy: 0.079 local terms energy: -586.675702 where: bonds (distance) C4'-P energy: -127.189 bonds (distance) P-C4' energy: -161.054 flat angles C4'-P-C4' energy: -150.583 flat angles P-C4'-P energy: -87.537 tors. eta vs tors. theta energy: -60.313 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -938.818151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.818151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.818151 (E_RNA) where: Base-Base interactions energy: -403.895 where: short stacking energy: -357.586 Base-Backbone interact. energy: 5.748 local terms energy: -540.670799 where: bonds (distance) C4'-P energy: -149.662 bonds (distance) P-C4' energy: -162.865 flat angles C4'-P-C4' energy: -128.193 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -16.683 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: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -836.242079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.242079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.242079 (E_RNA) where: Base-Base interactions energy: -382.442 where: short stacking energy: -330.936 Base-Backbone interact. energy: 2.549 local terms energy: -456.349284 where: bonds (distance) C4'-P energy: -125.175 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -132.783 flat angles P-C4'-P energy: -56.363 tors. eta vs tors. theta energy: 6.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -746.336017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.336017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.336017 (E_RNA) where: Base-Base interactions energy: -308.328 where: short stacking energy: -264.913 Base-Backbone interact. energy: -0.102 local terms energy: -437.906087 where: bonds (distance) C4'-P energy: -109.473 bonds (distance) P-C4' energy: -166.790 flat angles C4'-P-C4' energy: -120.398 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: 14.322 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: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1981.165456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.165456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.165456 (E_RNA) where: Base-Base interactions energy: -1070.310 where: short stacking energy: -875.444 Base-Backbone interact. energy: -0.240 local terms energy: -910.615159 where: bonds (distance) C4'-P energy: -157.467 bonds (distance) P-C4' energy: -191.227 flat angles C4'-P-C4' energy: -204.649 flat angles P-C4'-P energy: -143.552 tors. eta vs tors. theta energy: -213.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1797.534340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.534340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.534340 (E_RNA) where: Base-Base interactions energy: -940.463 where: short stacking energy: -826.831 Base-Backbone interact. energy: -1.588 local terms energy: -855.483539 where: bonds (distance) C4'-P energy: -171.218 bonds (distance) P-C4' energy: -181.726 flat angles C4'-P-C4' energy: -198.224 flat angles P-C4'-P energy: -117.501 tors. eta vs tors. theta energy: -186.814 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: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1760.828152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.828152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.828152 (E_RNA) where: Base-Base interactions energy: -950.985 where: short stacking energy: -763.706 Base-Backbone interact. energy: -3.291 local terms energy: -806.551879 where: bonds (distance) C4'-P energy: -150.101 bonds (distance) P-C4' energy: -164.044 flat angles C4'-P-C4' energy: -187.771 flat angles P-C4'-P energy: -132.329 tors. eta vs tors. theta energy: -172.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1645.035893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.035893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.035893 (E_RNA) where: Base-Base interactions energy: -853.315 where: short stacking energy: -626.015 Base-Backbone interact. energy: -3.229 local terms energy: -788.491623 where: bonds (distance) C4'-P energy: -176.709 bonds (distance) P-C4' energy: -176.815 flat angles C4'-P-C4' energy: -180.264 flat angles P-C4'-P energy: -125.186 tors. eta vs tors. theta energy: -129.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1304.260125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.260125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.260125 (E_RNA) where: Base-Base interactions energy: -644.742 where: short stacking energy: -525.331 Base-Backbone interact. energy: -1.767 local terms energy: -657.750759 where: bonds (distance) C4'-P energy: -153.700 bonds (distance) P-C4' energy: -179.935 flat angles C4'-P-C4' energy: -158.989 flat angles P-C4'-P energy: -92.016 tors. eta vs tors. theta energy: -73.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1283.040489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.040489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.040489 (E_RNA) where: Base-Base interactions energy: -638.710 where: short stacking energy: -491.025 Base-Backbone interact. energy: -3.103 local terms energy: -641.226957 where: bonds (distance) C4'-P energy: -158.897 bonds (distance) P-C4' energy: -177.479 flat angles C4'-P-C4' energy: -138.513 flat angles P-C4'-P energy: -83.318 tors. eta vs tors. theta energy: -83.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1103.023905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.023905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.023905 (E_RNA) where: Base-Base interactions energy: -508.117 where: short stacking energy: -411.370 Base-Backbone interact. energy: 0.285 local terms energy: -595.192117 where: bonds (distance) C4'-P energy: -132.138 bonds (distance) P-C4' energy: -170.461 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -88.758 tors. eta vs tors. theta energy: -59.673 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: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -899.717340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.717340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.717340 (E_RNA) where: Base-Base interactions energy: -403.359 where: short stacking energy: -338.801 Base-Backbone interact. energy: -3.422 local terms energy: -492.936642 where: bonds (distance) C4'-P energy: -128.532 bonds (distance) P-C4' energy: -159.348 flat angles C4'-P-C4' energy: -143.967 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: 4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -799.362425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.362425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.362425 (E_RNA) where: Base-Base interactions energy: -301.645 where: short stacking energy: -255.964 Base-Backbone interact. energy: -0.716 local terms energy: -497.001867 where: bonds (distance) C4'-P energy: -153.997 bonds (distance) P-C4' energy: -169.594 flat angles C4'-P-C4' energy: -115.281 flat angles P-C4'-P energy: -82.487 tors. eta vs tors. theta energy: 24.357 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: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -770.389191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.389191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.389191 (E_RNA) where: Base-Base interactions energy: -299.954 where: short stacking energy: -290.619 Base-Backbone interact. energy: 3.322 local terms energy: -473.757824 where: bonds (distance) C4'-P energy: -138.665 bonds (distance) P-C4' energy: -148.061 flat angles C4'-P-C4' energy: -126.506 flat angles P-C4'-P energy: -72.878 tors. eta vs tors. theta energy: 12.352 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: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1993.753730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.753730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.753730 (E_RNA) where: Base-Base interactions energy: -1074.399 where: short stacking energy: -881.252 Base-Backbone interact. energy: -0.196 local terms energy: -919.158888 where: bonds (distance) C4'-P energy: -184.275 bonds (distance) P-C4' energy: -207.950 flat angles C4'-P-C4' energy: -194.647 flat angles P-C4'-P energy: -121.713 tors. eta vs tors. theta energy: -210.574 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: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1868.061651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.061651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.061651 (E_RNA) where: Base-Base interactions energy: -989.351 where: short stacking energy: -784.129 Base-Backbone interact. energy: -1.745 local terms energy: -876.965117 where: bonds (distance) C4'-P energy: -186.817 bonds (distance) P-C4' energy: -180.605 flat angles C4'-P-C4' energy: -199.818 flat angles P-C4'-P energy: -135.189 tors. eta vs tors. theta energy: -174.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1724.994893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.994893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.994893 (E_RNA) where: Base-Base interactions energy: -870.184 where: short stacking energy: -719.228 Base-Backbone interact. energy: 1.519 local terms energy: -856.329284 where: bonds (distance) C4'-P energy: -179.460 bonds (distance) P-C4' energy: -185.347 flat angles C4'-P-C4' energy: -192.806 flat angles P-C4'-P energy: -130.685 tors. eta vs tors. theta energy: -168.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1729.056340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.056340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.056340 (E_RNA) where: Base-Base interactions energy: -955.250 where: short stacking energy: -668.747 Base-Backbone interact. energy: -0.249 local terms energy: -773.557738 where: bonds (distance) C4'-P energy: -164.327 bonds (distance) P-C4' energy: -187.141 flat angles C4'-P-C4' energy: -182.811 flat angles P-C4'-P energy: -104.618 tors. eta vs tors. theta energy: -134.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1415.010810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.010810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.010810 (E_RNA) where: Base-Base interactions energy: -708.378 where: short stacking energy: -546.302 Base-Backbone interact. energy: 0.748 local terms energy: -707.380312 where: bonds (distance) C4'-P energy: -165.634 bonds (distance) P-C4' energy: -161.426 flat angles C4'-P-C4' energy: -178.723 flat angles P-C4'-P energy: -108.637 tors. eta vs tors. theta energy: -92.961 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: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1188.451570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.451570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.451570 (E_RNA) where: Base-Base interactions energy: -575.752 where: short stacking energy: -473.736 Base-Backbone interact. energy: -3.133 local terms energy: -609.566646 where: bonds (distance) C4'-P energy: -155.275 bonds (distance) P-C4' energy: -162.424 flat angles C4'-P-C4' energy: -146.653 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -62.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1182.595119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.595119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.595119 (E_RNA) where: Base-Base interactions energy: -566.053 where: short stacking energy: -444.435 Base-Backbone interact. energy: -2.965 local terms energy: -613.576371 where: bonds (distance) C4'-P energy: -148.647 bonds (distance) P-C4' energy: -164.039 flat angles C4'-P-C4' energy: -146.741 flat angles P-C4'-P energy: -100.168 tors. eta vs tors. theta energy: -53.981 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: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -959.388730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.388730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.388730 (E_RNA) where: Base-Base interactions energy: -385.966 where: short stacking energy: -353.389 Base-Backbone interact. energy: 2.306 local terms energy: -575.728612 where: bonds (distance) C4'-P energy: -157.427 bonds (distance) P-C4' energy: -156.533 flat angles C4'-P-C4' energy: -158.535 flat angles P-C4'-P energy: -94.006 tors. eta vs tors. theta energy: -9.228 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: 18 Temperature: 1.300000 Total energy: -822.824973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.824973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.824973 (E_RNA) where: Base-Base interactions energy: -337.956 where: short stacking energy: -301.607 Base-Backbone interact. energy: -4.197 local terms energy: -480.671742 where: bonds (distance) C4'-P energy: -135.963 bonds (distance) P-C4' energy: -157.288 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -76.121 tors. eta vs tors. theta energy: 0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -789.831810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.831810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.831810 (E_RNA) where: Base-Base interactions energy: -339.110 where: short stacking energy: -266.895 Base-Backbone interact. energy: 6.076 local terms energy: -456.797663 where: bonds (distance) C4'-P energy: -146.638 bonds (distance) P-C4' energy: -145.405 flat angles C4'-P-C4' energy: -129.267 flat angles P-C4'-P energy: -58.755 tors. eta vs tors. theta energy: 23.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1952.598644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.598644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.598644 (E_RNA) where: Base-Base interactions energy: -1039.333 where: short stacking energy: -849.227 Base-Backbone interact. energy: -1.498 local terms energy: -911.766898 where: bonds (distance) C4'-P energy: -193.677 bonds (distance) P-C4' energy: -187.141 flat angles C4'-P-C4' energy: -190.421 flat angles P-C4'-P energy: -132.568 tors. eta vs tors. theta energy: -207.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1805.159745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.159745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.159745 (E_RNA) where: Base-Base interactions energy: -985.830 where: short stacking energy: -755.093 Base-Backbone interact. energy: 0.621 local terms energy: -819.950686 where: bonds (distance) C4'-P energy: -179.143 bonds (distance) P-C4' energy: -166.248 flat angles C4'-P-C4' energy: -185.937 flat angles P-C4'-P energy: -111.492 tors. eta vs tors. theta energy: -177.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1716.423309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.423309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.423309 (E_RNA) where: Base-Base interactions energy: -886.037 where: short stacking energy: -706.465 Base-Backbone interact. energy: -0.821 local terms energy: -829.565551 where: bonds (distance) C4'-P energy: -176.521 bonds (distance) P-C4' energy: -168.769 flat angles C4'-P-C4' energy: -180.232 flat angles P-C4'-P energy: -127.402 tors. eta vs tors. theta energy: -176.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1723.990541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.990541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.990541 (E_RNA) where: Base-Base interactions energy: -993.851 where: short stacking energy: -706.103 Base-Backbone interact. energy: -1.701 local terms energy: -728.438373 where: bonds (distance) C4'-P energy: -164.586 bonds (distance) P-C4' energy: -162.961 flat angles C4'-P-C4' energy: -171.313 flat angles P-C4'-P energy: -97.693 tors. eta vs tors. theta energy: -131.884 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1487.253261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.253261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.253261 (E_RNA) where: Base-Base interactions energy: -760.629 where: short stacking energy: -578.841 Base-Backbone interact. energy: -3.477 local terms energy: -723.146727 where: bonds (distance) C4'-P energy: -170.656 bonds (distance) P-C4' energy: -173.062 flat angles C4'-P-C4' energy: -177.404 flat angles P-C4'-P energy: -104.892 tors. eta vs tors. theta energy: -97.133 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: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1314.200263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.200263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.200263 (E_RNA) where: Base-Base interactions energy: -690.982 where: short stacking energy: -481.182 Base-Backbone interact. energy: -2.722 local terms energy: -620.496670 where: bonds (distance) C4'-P energy: -143.261 bonds (distance) P-C4' energy: -165.367 flat angles C4'-P-C4' energy: -160.538 flat angles P-C4'-P energy: -85.794 tors. eta vs tors. theta energy: -65.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1134.320333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.320333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.320333 (E_RNA) where: Base-Base interactions energy: -527.571 where: short stacking energy: -424.497 Base-Backbone interact. energy: 3.565 local terms energy: -610.313603 where: bonds (distance) C4'-P energy: -139.536 bonds (distance) P-C4' energy: -172.760 flat angles C4'-P-C4' energy: -154.670 flat angles P-C4'-P energy: -93.368 tors. eta vs tors. theta energy: -49.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -955.797402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.797402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.797402 (E_RNA) where: Base-Base interactions energy: -395.295 where: short stacking energy: -373.107 Base-Backbone interact. energy: -0.417 local terms energy: -560.085516 where: bonds (distance) C4'-P energy: -129.794 bonds (distance) P-C4' energy: -175.752 flat angles C4'-P-C4' energy: -141.159 flat angles P-C4'-P energy: -75.506 tors. eta vs tors. theta energy: -37.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -827.078131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.078131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.078131 (E_RNA) where: Base-Base interactions energy: -314.671 where: short stacking energy: -272.180 Base-Backbone interact. energy: -2.182 local terms energy: -510.224887 where: bonds (distance) C4'-P energy: -147.936 bonds (distance) P-C4' energy: -147.147 flat angles C4'-P-C4' energy: -148.569 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: 9.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -819.000859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.000859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.000859 (E_RNA) where: Base-Base interactions energy: -309.989 where: short stacking energy: -279.052 Base-Backbone interact. energy: -0.697 local terms energy: -508.315651 where: bonds (distance) C4'-P energy: -138.903 bonds (distance) P-C4' energy: -159.566 flat angles C4'-P-C4' energy: -129.338 flat angles P-C4'-P energy: -78.982 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1956.069428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.069428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.069428 (E_RNA) where: Base-Base interactions energy: -1091.871 where: short stacking energy: -832.194 Base-Backbone interact. energy: -1.566 local terms energy: -862.632708 where: bonds (distance) C4'-P energy: -178.991 bonds (distance) P-C4' energy: -185.157 flat angles C4'-P-C4' energy: -186.110 flat angles P-C4'-P energy: -118.278 tors. eta vs tors. theta energy: -194.097 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: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1851.566461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.566461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.566461 (E_RNA) where: Base-Base interactions energy: -985.373 where: short stacking energy: -793.440 Base-Backbone interact. energy: -3.228 local terms energy: -862.965044 where: bonds (distance) C4'-P energy: -170.410 bonds (distance) P-C4' energy: -185.169 flat angles C4'-P-C4' energy: -194.193 flat angles P-C4'-P energy: -117.062 tors. eta vs tors. theta energy: -196.132 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: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1768.956623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.956623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.956623 (E_RNA) where: Base-Base interactions energy: -944.906 where: short stacking energy: -747.235 Base-Backbone interact. energy: 4.579 local terms energy: -828.629240 where: bonds (distance) C4'-P energy: -154.921 bonds (distance) P-C4' energy: -180.123 flat angles C4'-P-C4' energy: -185.756 flat angles P-C4'-P energy: -132.176 tors. eta vs tors. theta energy: -175.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1693.469740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.469740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.469740 (E_RNA) where: Base-Base interactions energy: -929.572 where: short stacking energy: -666.082 Base-Backbone interact. energy: -2.295 local terms energy: -761.602808 where: bonds (distance) C4'-P energy: -161.151 bonds (distance) P-C4' energy: -156.936 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -114.315 tors. eta vs tors. theta energy: -150.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1504.522195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.522195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.522195 (E_RNA) where: Base-Base interactions energy: -821.074 where: short stacking energy: -584.352 Base-Backbone interact. energy: -2.486 local terms energy: -680.962247 where: bonds (distance) C4'-P energy: -135.714 bonds (distance) P-C4' energy: -170.506 flat angles C4'-P-C4' energy: -174.619 flat angles P-C4'-P energy: -91.036 tors. eta vs tors. theta energy: -109.087 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: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1221.391288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.391288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.391288 (E_RNA) where: Base-Base interactions energy: -613.340 where: short stacking energy: -460.956 Base-Backbone interact. energy: -4.748 local terms energy: -603.303422 where: bonds (distance) C4'-P energy: -149.048 bonds (distance) P-C4' energy: -163.092 flat angles C4'-P-C4' energy: -154.111 flat angles P-C4'-P energy: -74.088 tors. eta vs tors. theta energy: -62.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1024.764556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.764556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.764556 (E_RNA) where: Base-Base interactions energy: -454.108 where: short stacking energy: -411.283 Base-Backbone interact. energy: -2.148 local terms energy: -568.508834 where: bonds (distance) C4'-P energy: -149.890 bonds (distance) P-C4' energy: -151.782 flat angles C4'-P-C4' energy: -143.922 flat angles P-C4'-P energy: -78.916 tors. eta vs tors. theta energy: -43.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -915.205083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.205083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.205083 (E_RNA) where: Base-Base interactions energy: -385.943 where: short stacking energy: -306.808 Base-Backbone interact. energy: -4.703 local terms energy: -524.558648 where: bonds (distance) C4'-P energy: -139.617 bonds (distance) P-C4' energy: -155.621 flat angles C4'-P-C4' energy: -141.748 flat angles P-C4'-P energy: -73.793 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -839.973175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.973175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.973175 (E_RNA) where: Base-Base interactions energy: -334.926 where: short stacking energy: -291.924 Base-Backbone interact. energy: 0.733 local terms energy: -505.780376 where: bonds (distance) C4'-P energy: -154.472 bonds (distance) P-C4' energy: -144.402 flat angles C4'-P-C4' energy: -116.880 flat angles P-C4'-P energy: -98.940 tors. eta vs tors. theta energy: 8.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -761.371610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.371610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.371610 (E_RNA) where: Base-Base interactions energy: -286.920 where: short stacking energy: -253.147 Base-Backbone interact. energy: -2.849 local terms energy: -471.602193 where: bonds (distance) C4'-P energy: -168.718 bonds (distance) P-C4' energy: -151.508 flat angles C4'-P-C4' energy: -108.011 flat angles P-C4'-P energy: -69.444 tors. eta vs tors. theta energy: 26.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2013.382270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.382270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.382270 (E_RNA) where: Base-Base interactions energy: -1113.967 where: short stacking energy: -855.539 Base-Backbone interact. energy: -1.195 local terms energy: -898.219324 where: bonds (distance) C4'-P energy: -176.848 bonds (distance) P-C4' energy: -196.829 flat angles C4'-P-C4' energy: -200.828 flat angles P-C4'-P energy: -126.785 tors. eta vs tors. theta energy: -196.929 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: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1838.108532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.108532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.108532 (E_RNA) where: Base-Base interactions energy: -1010.561 where: short stacking energy: -783.094 Base-Backbone interact. energy: -2.074 local terms energy: -825.473826 where: bonds (distance) C4'-P energy: -186.463 bonds (distance) P-C4' energy: -186.473 flat angles C4'-P-C4' energy: -185.590 flat angles P-C4'-P energy: -109.495 tors. eta vs tors. theta energy: -157.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1732.118374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.118374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.118374 (E_RNA) where: Base-Base interactions energy: -929.976 where: short stacking energy: -695.710 Base-Backbone interact. energy: 1.044 local terms energy: -803.186003 where: bonds (distance) C4'-P energy: -171.036 bonds (distance) P-C4' energy: -184.283 flat angles C4'-P-C4' energy: -170.604 flat angles P-C4'-P energy: -122.040 tors. eta vs tors. theta energy: -155.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1681.367404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.367404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.367404 (E_RNA) where: Base-Base interactions energy: -952.724 where: short stacking energy: -650.578 Base-Backbone interact. energy: -2.973 local terms energy: -725.669934 where: bonds (distance) C4'-P energy: -160.610 bonds (distance) P-C4' energy: -160.232 flat angles C4'-P-C4' energy: -164.332 flat angles P-C4'-P energy: -106.876 tors. eta vs tors. theta energy: -133.620 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: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1542.858901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.858901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.858901 (E_RNA) where: Base-Base interactions energy: -861.211 where: short stacking energy: -597.913 Base-Backbone interact. energy: -3.794 local terms energy: -677.854224 where: bonds (distance) C4'-P energy: -138.199 bonds (distance) P-C4' energy: -161.395 flat angles C4'-P-C4' energy: -178.044 flat angles P-C4'-P energy: -93.370 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: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1145.694811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.694811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.694811 (E_RNA) where: Base-Base interactions energy: -484.832 where: short stacking energy: -440.738 Base-Backbone interact. energy: 2.054 local terms energy: -662.917191 where: bonds (distance) C4'-P energy: -150.841 bonds (distance) P-C4' energy: -181.259 flat angles C4'-P-C4' energy: -151.219 flat angles P-C4'-P energy: -101.829 tors. eta vs tors. theta energy: -77.769 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: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1172.953258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.953258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.953258 (E_RNA) where: Base-Base interactions energy: -578.355 where: short stacking energy: -424.615 Base-Backbone interact. energy: -3.853 local terms energy: -590.745897 where: bonds (distance) C4'-P energy: -144.336 bonds (distance) P-C4' energy: -178.141 flat angles C4'-P-C4' energy: -155.035 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -23.184 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: 21 Temperature: 1.250000 Total energy: -919.267872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.267872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.267872 (E_RNA) where: Base-Base interactions energy: -392.134 where: short stacking energy: -324.967 Base-Backbone interact. energy: -2.005 local terms energy: -525.128758 where: bonds (distance) C4'-P energy: -151.519 bonds (distance) P-C4' energy: -171.647 flat angles C4'-P-C4' energy: -121.610 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -873.365104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.365104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.365104 (E_RNA) where: Base-Base interactions energy: -383.280 where: short stacking energy: -308.992 Base-Backbone interact. energy: -0.021 local terms energy: -490.063852 where: bonds (distance) C4'-P energy: -140.483 bonds (distance) P-C4' energy: -170.673 flat angles C4'-P-C4' energy: -126.437 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: 11.931 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: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -753.138186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.138186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.138186 (E_RNA) where: Base-Base interactions energy: -271.461 where: short stacking energy: -240.654 Base-Backbone interact. energy: 3.531 local terms energy: -485.207245 where: bonds (distance) C4'-P energy: -138.051 bonds (distance) P-C4' energy: -141.199 flat angles C4'-P-C4' energy: -156.831 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: 16.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2069.196399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.196399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.196399 (E_RNA) where: Base-Base interactions energy: -1160.183 where: short stacking energy: -872.099 Base-Backbone interact. energy: -1.257 local terms energy: -907.756669 where: bonds (distance) C4'-P energy: -172.274 bonds (distance) P-C4' energy: -203.706 flat angles C4'-P-C4' energy: -189.795 flat angles P-C4'-P energy: -124.591 tors. eta vs tors. theta energy: -217.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1775.813729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.813729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.813729 (E_RNA) where: Base-Base interactions energy: -985.833 where: short stacking energy: -767.088 Base-Backbone interact. energy: 0.805 local terms energy: -790.786433 where: bonds (distance) C4'-P energy: -152.440 bonds (distance) P-C4' energy: -187.239 flat angles C4'-P-C4' energy: -170.863 flat angles P-C4'-P energy: -111.862 tors. eta vs tors. theta energy: -168.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1741.817493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.817493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.817493 (E_RNA) where: Base-Base interactions energy: -942.711 where: short stacking energy: -652.998 Base-Backbone interact. energy: -3.153 local terms energy: -795.953858 where: bonds (distance) C4'-P energy: -171.050 bonds (distance) P-C4' energy: -188.051 flat angles C4'-P-C4' energy: -194.719 flat angles P-C4'-P energy: -112.637 tors. eta vs tors. theta energy: -129.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1611.385094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.385094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.385094 (E_RNA) where: Base-Base interactions energy: -856.265 where: short stacking energy: -620.151 Base-Backbone interact. energy: 0.590 local terms energy: -755.710531 where: bonds (distance) C4'-P energy: -173.854 bonds (distance) P-C4' energy: -181.906 flat angles C4'-P-C4' energy: -175.763 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -116.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1502.921402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.921402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.921402 (E_RNA) where: Base-Base interactions energy: -815.000 where: short stacking energy: -567.937 Base-Backbone interact. energy: -0.818 local terms energy: -687.102523 where: bonds (distance) C4'-P energy: -165.864 bonds (distance) P-C4' energy: -174.831 flat angles C4'-P-C4' energy: -149.657 flat angles P-C4'-P energy: -109.732 tors. eta vs tors. theta energy: -87.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1209.989281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.989281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.989281 (E_RNA) where: Base-Base interactions energy: -573.485 where: short stacking energy: -454.433 Base-Backbone interact. energy: 4.878 local terms energy: -641.382609 where: bonds (distance) C4'-P energy: -156.696 bonds (distance) P-C4' energy: -182.894 flat angles C4'-P-C4' energy: -163.529 flat angles P-C4'-P energy: -87.773 tors. eta vs tors. theta energy: -50.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1190.783813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.783813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.783813 (E_RNA) where: Base-Base interactions energy: -609.782 where: short stacking energy: -443.428 Base-Backbone interact. energy: -2.466 local terms energy: -578.535348 where: bonds (distance) C4'-P energy: -132.850 bonds (distance) P-C4' energy: -165.326 flat angles C4'-P-C4' energy: -143.159 flat angles P-C4'-P energy: -78.858 tors. eta vs tors. theta energy: -58.342 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: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -935.809426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.809426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.809426 (E_RNA) where: Base-Base interactions energy: -395.858 where: short stacking energy: -325.656 Base-Backbone interact. energy: 0.221 local terms energy: -540.172365 where: bonds (distance) C4'-P energy: -142.843 bonds (distance) P-C4' energy: -176.167 flat angles C4'-P-C4' energy: -125.275 flat angles P-C4'-P energy: -91.325 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -851.779563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.779563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.779563 (E_RNA) where: Base-Base interactions energy: -373.140 where: short stacking energy: -297.931 Base-Backbone interact. energy: -1.921 local terms energy: -476.719341 where: bonds (distance) C4'-P energy: -133.853 bonds (distance) P-C4' energy: -144.799 flat angles C4'-P-C4' energy: -128.056 flat angles P-C4'-P energy: -93.566 tors. eta vs tors. theta energy: 23.555 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -741.292266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.292266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.292266 (E_RNA) where: Base-Base interactions energy: -290.256 where: short stacking energy: -253.922 Base-Backbone interact. energy: 5.026 local terms energy: -456.062459 where: bonds (distance) C4'-P energy: -132.152 bonds (distance) P-C4' energy: -171.236 flat angles C4'-P-C4' energy: -127.668 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: 39.661 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: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2080.060987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.060987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.060987 (E_RNA) where: Base-Base interactions energy: -1173.305 where: short stacking energy: -924.131 Base-Backbone interact. energy: -2.724 local terms energy: -904.032646 where: bonds (distance) C4'-P energy: -175.630 bonds (distance) P-C4' energy: -189.699 flat angles C4'-P-C4' energy: -189.387 flat angles P-C4'-P energy: -124.858 tors. eta vs tors. theta energy: -224.459 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: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1965.913313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.913313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.913313 (E_RNA) where: Base-Base interactions energy: -1142.060 where: short stacking energy: -823.942 Base-Backbone interact. energy: 1.104 local terms energy: -824.957574 where: bonds (distance) C4'-P energy: -148.140 bonds (distance) P-C4' energy: -181.016 flat angles C4'-P-C4' energy: -177.871 flat angles P-C4'-P energy: -126.651 tors. eta vs tors. theta energy: -191.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1705.918402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.918402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.918402 (E_RNA) where: Base-Base interactions energy: -911.597 where: short stacking energy: -668.602 Base-Backbone interact. energy: 0.402 local terms energy: -794.723553 where: bonds (distance) C4'-P energy: -175.188 bonds (distance) P-C4' energy: -173.690 flat angles C4'-P-C4' energy: -185.979 flat angles P-C4'-P energy: -121.875 tors. eta vs tors. theta energy: -137.991 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: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1616.523623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.523623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.523623 (E_RNA) where: Base-Base interactions energy: -861.241 where: short stacking energy: -653.215 Base-Backbone interact. energy: -1.494 local terms energy: -753.788852 where: bonds (distance) C4'-P energy: -176.335 bonds (distance) P-C4' energy: -170.877 flat angles C4'-P-C4' energy: -173.579 flat angles P-C4'-P energy: -94.277 tors. eta vs tors. theta energy: -138.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1492.423681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.423681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.423681 (E_RNA) where: Base-Base interactions energy: -787.163 where: short stacking energy: -605.654 Base-Backbone interact. energy: -0.286 local terms energy: -704.973861 where: bonds (distance) C4'-P energy: -174.946 bonds (distance) P-C4' energy: -187.850 flat angles C4'-P-C4' energy: -127.683 flat angles P-C4'-P energy: -95.588 tors. eta vs tors. theta energy: -118.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1189.283765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.283765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.283765 (E_RNA) where: Base-Base interactions energy: -585.138 where: short stacking energy: -512.917 Base-Backbone interact. energy: -0.628 local terms energy: -603.517015 where: bonds (distance) C4'-P energy: -144.166 bonds (distance) P-C4' energy: -181.575 flat angles C4'-P-C4' energy: -153.906 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -50.586 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: 7, replica: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1118.254534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.254534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.254534 (E_RNA) where: Base-Base interactions energy: -528.808 where: short stacking energy: -419.332 Base-Backbone interact. energy: -3.287 local terms energy: -586.159867 where: bonds (distance) C4'-P energy: -145.374 bonds (distance) P-C4' energy: -172.161 flat angles C4'-P-C4' energy: -142.686 flat angles P-C4'-P energy: -87.806 tors. eta vs tors. theta energy: -38.132 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: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -975.455023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.455023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.455023 (E_RNA) where: Base-Base interactions energy: -415.449 where: short stacking energy: -342.468 Base-Backbone interact. energy: -0.269 local terms energy: -559.737451 where: bonds (distance) C4'-P energy: -140.943 bonds (distance) P-C4' energy: -167.334 flat angles C4'-P-C4' energy: -144.133 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -20.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -837.688076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.688076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.688076 (E_RNA) where: Base-Base interactions energy: -364.090 where: short stacking energy: -295.469 Base-Backbone interact. energy: 0.198 local terms energy: -473.795795 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -158.605 flat angles C4'-P-C4' energy: -128.263 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -841.693992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.693992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.693992 (E_RNA) where: Base-Base interactions energy: -362.412 where: short stacking energy: -281.220 Base-Backbone interact. energy: 3.132 local terms energy: -482.414729 where: bonds (distance) C4'-P energy: -152.698 bonds (distance) P-C4' energy: -165.735 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -62.262 tors. eta vs tors. theta energy: 5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2077.901228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.901228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.901228 (E_RNA) where: Base-Base interactions energy: -1163.390 where: short stacking energy: -884.106 Base-Backbone interact. energy: -2.076 local terms energy: -912.435764 where: bonds (distance) C4'-P energy: -185.580 bonds (distance) P-C4' energy: -177.647 flat angles C4'-P-C4' energy: -197.702 flat angles P-C4'-P energy: -133.676 tors. eta vs tors. theta energy: -217.830 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: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1993.033091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.033091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.033091 (E_RNA) where: Base-Base interactions energy: -1129.806 where: short stacking energy: -824.403 Base-Backbone interact. energy: -2.507 local terms energy: -860.720172 where: bonds (distance) C4'-P energy: -173.397 bonds (distance) P-C4' energy: -179.396 flat angles C4'-P-C4' energy: -192.216 flat angles P-C4'-P energy: -121.563 tors. eta vs tors. theta energy: -194.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1715.732962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.732962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.732962 (E_RNA) where: Base-Base interactions energy: -912.092 where: short stacking energy: -680.743 Base-Backbone interact. energy: -3.145 local terms energy: -800.495668 where: bonds (distance) C4'-P energy: -165.380 bonds (distance) P-C4' energy: -184.765 flat angles C4'-P-C4' energy: -185.053 flat angles P-C4'-P energy: -128.543 tors. eta vs tors. theta energy: -136.755 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: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1576.728610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.728610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.728610 (E_RNA) where: Base-Base interactions energy: -814.626 where: short stacking energy: -646.386 Base-Backbone interact. energy: -1.410 local terms energy: -760.692150 where: bonds (distance) C4'-P energy: -145.853 bonds (distance) P-C4' energy: -180.944 flat angles C4'-P-C4' energy: -177.973 flat angles P-C4'-P energy: -110.666 tors. eta vs tors. theta energy: -145.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1518.526178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.526178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.526178 (E_RNA) where: Base-Base interactions energy: -802.006 where: short stacking energy: -598.566 Base-Backbone interact. energy: 4.654 local terms energy: -721.174322 where: bonds (distance) C4'-P energy: -159.483 bonds (distance) P-C4' energy: -168.058 flat angles C4'-P-C4' energy: -179.269 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -114.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1231.619682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.619682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.619682 (E_RNA) where: Base-Base interactions energy: -625.612 where: short stacking energy: -508.541 Base-Backbone interact. energy: 0.184 local terms energy: -606.191850 where: bonds (distance) C4'-P energy: -152.376 bonds (distance) P-C4' energy: -168.513 flat angles C4'-P-C4' energy: -149.538 flat angles P-C4'-P energy: -89.745 tors. eta vs tors. theta energy: -46.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1182.825165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.825165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.825165 (E_RNA) where: Base-Base interactions energy: -584.970 where: short stacking energy: -477.533 Base-Backbone interact. energy: -0.219 local terms energy: -597.635756 where: bonds (distance) C4'-P energy: -150.056 bonds (distance) P-C4' energy: -159.335 flat angles C4'-P-C4' energy: -144.091 flat angles P-C4'-P energy: -80.327 tors. eta vs tors. theta energy: -63.826 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: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -942.650479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.650479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.650479 (E_RNA) where: Base-Base interactions energy: -402.839 where: short stacking energy: -349.169 Base-Backbone interact. energy: 1.444 local terms energy: -541.255428 where: bonds (distance) C4'-P energy: -126.875 bonds (distance) P-C4' energy: -166.838 flat angles C4'-P-C4' energy: -156.831 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -20.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -816.916946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.916946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.916946 (E_RNA) where: Base-Base interactions energy: -351.418 where: short stacking energy: -315.112 Base-Backbone interact. energy: -2.851 local terms energy: -462.647430 where: bonds (distance) C4'-P energy: -115.871 bonds (distance) P-C4' energy: -154.423 flat angles C4'-P-C4' energy: -128.987 flat angles P-C4'-P energy: -75.776 tors. eta vs tors. theta energy: 12.410 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: 24 Temperature: 1.350000 Total energy: -732.596522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.596522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.596522 (E_RNA) where: Base-Base interactions energy: -267.154 where: short stacking energy: -216.021 Base-Backbone interact. energy: 4.938 local terms energy: -470.380729 where: bonds (distance) C4'-P energy: -148.622 bonds (distance) P-C4' energy: -159.110 flat angles C4'-P-C4' energy: -116.473 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: 16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2062.633660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.633660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.633660 (E_RNA) where: Base-Base interactions energy: -1168.785 where: short stacking energy: -890.624 Base-Backbone interact. energy: 0.389 local terms energy: -894.237429 where: bonds (distance) C4'-P energy: -173.378 bonds (distance) P-C4' energy: -197.012 flat angles C4'-P-C4' energy: -181.276 flat angles P-C4'-P energy: -126.298 tors. eta vs tors. theta energy: -216.274 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: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2016.041706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.041706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.041706 (E_RNA) where: Base-Base interactions energy: -1163.002 where: short stacking energy: -852.873 Base-Backbone interact. energy: 2.921 local terms energy: -855.960993 where: bonds (distance) C4'-P energy: -159.910 bonds (distance) P-C4' energy: -181.564 flat angles C4'-P-C4' energy: -203.295 flat angles P-C4'-P energy: -109.579 tors. eta vs tors. theta energy: -201.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1716.845361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.845361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.845361 (E_RNA) where: Base-Base interactions energy: -936.363 where: short stacking energy: -711.241 Base-Backbone interact. energy: 5.543 local terms energy: -786.025321 where: bonds (distance) C4'-P energy: -171.995 bonds (distance) P-C4' energy: -171.249 flat angles C4'-P-C4' energy: -179.571 flat angles P-C4'-P energy: -112.433 tors. eta vs tors. theta energy: -150.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1635.955548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.955548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.955548 (E_RNA) where: Base-Base interactions energy: -890.922 where: short stacking energy: -635.879 Base-Backbone interact. energy: -0.928 local terms energy: -744.105218 where: bonds (distance) C4'-P energy: -168.906 bonds (distance) P-C4' energy: -165.523 flat angles C4'-P-C4' energy: -182.266 flat angles P-C4'-P energy: -108.577 tors. eta vs tors. theta energy: -118.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1466.819518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.819518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.819518 (E_RNA) where: Base-Base interactions energy: -755.533 where: short stacking energy: -578.115 Base-Backbone interact. energy: 0.022 local terms energy: -711.308632 where: bonds (distance) C4'-P energy: -167.805 bonds (distance) P-C4' energy: -161.262 flat angles C4'-P-C4' energy: -177.521 flat angles P-C4'-P energy: -99.306 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: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1249.946580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.946580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.946580 (E_RNA) where: Base-Base interactions energy: -588.837 where: short stacking energy: -484.643 Base-Backbone interact. energy: -3.718 local terms energy: -657.391473 where: bonds (distance) C4'-P energy: -161.005 bonds (distance) P-C4' energy: -164.255 flat angles C4'-P-C4' energy: -163.571 flat angles P-C4'-P energy: -105.118 tors. eta vs tors. theta energy: -63.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1120.675197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.675197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.675197 (E_RNA) where: Base-Base interactions energy: -500.669 where: short stacking energy: -414.874 Base-Backbone interact. energy: -1.086 local terms energy: -618.920154 where: bonds (distance) C4'-P energy: -157.411 bonds (distance) P-C4' energy: -154.174 flat angles C4'-P-C4' energy: -149.488 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -60.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -965.013020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.013020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.013020 (E_RNA) where: Base-Base interactions energy: -432.062 where: short stacking energy: -348.975 Base-Backbone interact. energy: -0.980 local terms energy: -531.970758 where: bonds (distance) C4'-P energy: -137.422 bonds (distance) P-C4' energy: -146.586 flat angles C4'-P-C4' energy: -135.641 flat angles P-C4'-P energy: -81.526 tors. eta vs tors. theta energy: -30.796 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: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -821.720985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.720985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.720985 (E_RNA) where: Base-Base interactions energy: -327.694 where: short stacking energy: -290.634 Base-Backbone interact. energy: 2.057 local terms energy: -496.083643 where: bonds (distance) C4'-P energy: -151.752 bonds (distance) P-C4' energy: -147.761 flat angles C4'-P-C4' energy: -111.578 flat angles P-C4'-P energy: -87.889 tors. eta vs tors. theta energy: 2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -764.888706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.888706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.888706 (E_RNA) where: Base-Base interactions energy: -328.027 where: short stacking energy: -276.203 Base-Backbone interact. energy: -4.512 local terms energy: -432.349939 where: bonds (distance) C4'-P energy: -129.145 bonds (distance) P-C4' energy: -129.252 flat angles C4'-P-C4' energy: -130.260 flat angles P-C4'-P energy: -64.661 tors. eta vs tors. theta energy: 20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2058.705826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.705826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.705826 (E_RNA) where: Base-Base interactions energy: -1165.574 where: short stacking energy: -853.585 Base-Backbone interact. energy: -1.791 local terms energy: -891.339881 where: bonds (distance) C4'-P energy: -185.799 bonds (distance) P-C4' energy: -185.431 flat angles C4'-P-C4' energy: -188.683 flat angles P-C4'-P energy: -133.008 tors. eta vs tors. theta energy: -198.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1972.963404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.963404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.963404 (E_RNA) where: Base-Base interactions energy: -1147.808 where: short stacking energy: -780.229 Base-Backbone interact. energy: 1.367 local terms energy: -826.522929 where: bonds (distance) C4'-P energy: -168.685 bonds (distance) P-C4' energy: -176.940 flat angles C4'-P-C4' energy: -187.697 flat angles P-C4'-P energy: -111.726 tors. eta vs tors. theta energy: -181.474 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: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1710.461863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.461863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.461863 (E_RNA) where: Base-Base interactions energy: -905.285 where: short stacking energy: -677.491 Base-Backbone interact. energy: 0.515 local terms energy: -805.692022 where: bonds (distance) C4'-P energy: -172.736 bonds (distance) P-C4' energy: -184.863 flat angles C4'-P-C4' energy: -193.456 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -156.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1680.366881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.366881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.366881 (E_RNA) where: Base-Base interactions energy: -914.587 where: short stacking energy: -652.729 Base-Backbone interact. energy: 0.985 local terms energy: -766.764809 where: bonds (distance) C4'-P energy: -164.160 bonds (distance) P-C4' energy: -162.109 flat angles C4'-P-C4' energy: -183.896 flat angles P-C4'-P energy: -121.543 tors. eta vs tors. theta energy: -135.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1399.402428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.402428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.402428 (E_RNA) where: Base-Base interactions energy: -712.641 where: short stacking energy: -520.924 Base-Backbone interact. energy: -2.228 local terms energy: -684.533167 where: bonds (distance) C4'-P energy: -149.035 bonds (distance) P-C4' energy: -185.855 flat angles C4'-P-C4' energy: -171.642 flat angles P-C4'-P energy: -96.041 tors. eta vs tors. theta energy: -81.961 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: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1244.712105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.712105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.712105 (E_RNA) where: Base-Base interactions energy: -578.251 where: short stacking energy: -510.830 Base-Backbone interact. energy: 1.627 local terms energy: -668.088848 where: bonds (distance) C4'-P energy: -166.441 bonds (distance) P-C4' energy: -167.901 flat angles C4'-P-C4' energy: -158.207 flat angles P-C4'-P energy: -88.246 tors. eta vs tors. theta energy: -87.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1038.423107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.423107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.423107 (E_RNA) where: Base-Base interactions energy: -457.986 where: short stacking energy: -368.840 Base-Backbone interact. energy: -0.264 local terms energy: -580.173347 where: bonds (distance) C4'-P energy: -154.398 bonds (distance) P-C4' energy: -165.955 flat angles C4'-P-C4' energy: -150.874 flat angles P-C4'-P energy: -89.858 tors. eta vs tors. theta energy: -19.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -950.272565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.272565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.272565 (E_RNA) where: Base-Base interactions energy: -409.898 where: short stacking energy: -335.547 Base-Backbone interact. energy: 1.981 local terms energy: -542.355471 where: bonds (distance) C4'-P energy: -129.069 bonds (distance) P-C4' energy: -167.977 flat angles C4'-P-C4' energy: -128.466 flat angles P-C4'-P energy: -106.140 tors. eta vs tors. theta energy: -10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -785.685841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.685841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.685841 (E_RNA) where: Base-Base interactions energy: -289.818 where: short stacking energy: -265.765 Base-Backbone interact. energy: 0.303 local terms energy: -496.170892 where: bonds (distance) C4'-P energy: -153.757 bonds (distance) P-C4' energy: -153.270 flat angles C4'-P-C4' energy: -112.769 flat angles P-C4'-P energy: -101.565 tors. eta vs tors. theta energy: 25.191 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: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -783.152416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.152416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.152416 (E_RNA) where: Base-Base interactions energy: -330.752 where: short stacking energy: -279.257 Base-Backbone interact. energy: -5.158 local terms energy: -447.242394 where: bonds (distance) C4'-P energy: -134.304 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -118.202 flat angles P-C4'-P energy: -62.952 tors. eta vs tors. theta energy: 20.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2111.623834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.623834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.623834 (E_RNA) where: Base-Base interactions energy: -1200.788 where: short stacking energy: -919.015 Base-Backbone interact. energy: -2.609 local terms energy: -908.227229 where: bonds (distance) C4'-P energy: -169.119 bonds (distance) P-C4' energy: -178.904 flat angles C4'-P-C4' energy: -210.117 flat angles P-C4'-P energy: -124.361 tors. eta vs tors. theta energy: -225.726 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: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1986.544208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.544208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.544208 (E_RNA) where: Base-Base interactions energy: -1149.199 where: short stacking energy: -773.506 Base-Backbone interact. energy: -2.133 local terms energy: -835.211693 where: bonds (distance) C4'-P energy: -164.196 bonds (distance) P-C4' energy: -177.017 flat angles C4'-P-C4' energy: -201.699 flat angles P-C4'-P energy: -121.146 tors. eta vs tors. theta energy: -171.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1664.190402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.190402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.190402 (E_RNA) where: Base-Base interactions energy: -887.200 where: short stacking energy: -666.178 Base-Backbone interact. energy: -0.694 local terms energy: -776.296659 where: bonds (distance) C4'-P energy: -151.277 bonds (distance) P-C4' energy: -176.395 flat angles C4'-P-C4' energy: -184.771 flat angles P-C4'-P energy: -121.362 tors. eta vs tors. theta energy: -142.490 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: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1737.946144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.946144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.946144 (E_RNA) where: Base-Base interactions energy: -979.852 where: short stacking energy: -682.471 Base-Backbone interact. energy: 2.946 local terms energy: -761.040145 where: bonds (distance) C4'-P energy: -134.573 bonds (distance) P-C4' energy: -178.471 flat angles C4'-P-C4' energy: -182.729 flat angles P-C4'-P energy: -117.284 tors. eta vs tors. theta energy: -147.983 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: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1543.233596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.233596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.233596 (E_RNA) where: Base-Base interactions energy: -846.868 where: short stacking energy: -599.276 Base-Backbone interact. energy: 0.811 local terms energy: -697.176001 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -159.638 flat angles C4'-P-C4' energy: -164.086 flat angles P-C4'-P energy: -105.439 tors. eta vs tors. theta energy: -121.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1253.006169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.006169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.006169 (E_RNA) where: Base-Base interactions energy: -607.100 where: short stacking energy: -512.711 Base-Backbone interact. energy: -0.458 local terms energy: -645.448430 where: bonds (distance) C4'-P energy: -146.494 bonds (distance) P-C4' energy: -154.827 flat angles C4'-P-C4' energy: -158.599 flat angles P-C4'-P energy: -107.561 tors. eta vs tors. theta energy: -77.967 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: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1011.651082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.651082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.651082 (E_RNA) where: Base-Base interactions energy: -435.555 where: short stacking energy: -370.030 Base-Backbone interact. energy: 0.868 local terms energy: -576.964499 where: bonds (distance) C4'-P energy: -155.172 bonds (distance) P-C4' energy: -151.130 flat angles C4'-P-C4' energy: -167.321 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: -25.806 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: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -942.436139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.436139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.436139 (E_RNA) where: Base-Base interactions energy: -391.293 where: short stacking energy: -346.842 Base-Backbone interact. energy: -1.422 local terms energy: -549.721750 where: bonds (distance) C4'-P energy: -144.366 bonds (distance) P-C4' energy: -177.843 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: -13.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -867.862426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.862426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.862426 (E_RNA) where: Base-Base interactions energy: -338.607 where: short stacking energy: -290.638 Base-Backbone interact. energy: -4.202 local terms energy: -525.052820 where: bonds (distance) C4'-P energy: -142.880 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -124.300 flat angles P-C4'-P energy: -91.303 tors. eta vs tors. theta energy: -9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -745.442596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.442596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.442596 (E_RNA) where: Base-Base interactions energy: -305.981 where: short stacking energy: -256.931 Base-Backbone interact. energy: 5.864 local terms energy: -445.325376 where: bonds (distance) C4'-P energy: -123.975 bonds (distance) P-C4' energy: -145.193 flat angles C4'-P-C4' energy: -116.147 flat angles P-C4'-P energy: -76.128 tors. eta vs tors. theta energy: 16.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2083.731024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.731024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.731024 (E_RNA) where: Base-Base interactions energy: -1191.757 where: short stacking energy: -862.091 Base-Backbone interact. energy: -4.617 local terms energy: -887.357509 where: bonds (distance) C4'-P energy: -180.258 bonds (distance) P-C4' energy: -189.150 flat angles C4'-P-C4' energy: -187.089 flat angles P-C4'-P energy: -127.100 tors. eta vs tors. theta energy: -203.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2056.715184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.715184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.715184 (E_RNA) where: Base-Base interactions energy: -1163.727 where: short stacking energy: -757.092 Base-Backbone interact. energy: -4.566 local terms energy: -888.421992 where: bonds (distance) C4'-P energy: -187.396 bonds (distance) P-C4' energy: -189.544 flat angles C4'-P-C4' energy: -216.003 flat angles P-C4'-P energy: -125.314 tors. eta vs tors. theta energy: -170.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1836.918279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.918279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.918279 (E_RNA) where: Base-Base interactions energy: -1065.302 where: short stacking energy: -761.796 Base-Backbone interact. energy: -4.667 local terms energy: -766.949956 where: bonds (distance) C4'-P energy: -151.358 bonds (distance) P-C4' energy: -160.774 flat angles C4'-P-C4' energy: -189.998 flat angles P-C4'-P energy: -93.515 tors. eta vs tors. theta energy: -171.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1651.040556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.040556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.040556 (E_RNA) where: Base-Base interactions energy: -862.513 where: short stacking energy: -679.033 Base-Backbone interact. energy: -1.948 local terms energy: -786.579771 where: bonds (distance) C4'-P energy: -161.888 bonds (distance) P-C4' energy: -165.523 flat angles C4'-P-C4' energy: -190.441 flat angles P-C4'-P energy: -116.484 tors. eta vs tors. theta energy: -152.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1496.356926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.356926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.356926 (E_RNA) where: Base-Base interactions energy: -777.274 where: short stacking energy: -563.546 Base-Backbone interact. energy: 3.567 local terms energy: -722.649866 where: bonds (distance) C4'-P energy: -155.332 bonds (distance) P-C4' energy: -188.705 flat angles C4'-P-C4' energy: -167.397 flat angles P-C4'-P energy: -112.625 tors. eta vs tors. theta energy: -98.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1227.860408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.860408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.860408 (E_RNA) where: Base-Base interactions energy: -572.535 where: short stacking energy: -491.499 Base-Backbone interact. energy: 0.252 local terms energy: -655.577180 where: bonds (distance) C4'-P energy: -164.604 bonds (distance) P-C4' energy: -167.003 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -108.409 tors. eta vs tors. theta energy: -61.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1040.708026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.708026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.708026 (E_RNA) where: Base-Base interactions energy: -466.444 where: short stacking energy: -393.157 Base-Backbone interact. energy: -2.100 local terms energy: -572.164294 where: bonds (distance) C4'-P energy: -155.555 bonds (distance) P-C4' energy: -167.488 flat angles C4'-P-C4' energy: -143.467 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -16.328 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: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -943.860633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.860633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.860633 (E_RNA) where: Base-Base interactions energy: -367.199 where: short stacking energy: -342.272 Base-Backbone interact. energy: -0.030 local terms energy: -576.631635 where: bonds (distance) C4'-P energy: -151.571 bonds (distance) P-C4' energy: -171.588 flat angles C4'-P-C4' energy: -143.593 flat angles P-C4'-P energy: -91.276 tors. eta vs tors. theta energy: -18.604 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: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -837.936471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.936471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.936471 (E_RNA) where: Base-Base interactions energy: -346.301 where: short stacking energy: -305.776 Base-Backbone interact. energy: 6.190 local terms energy: -497.824624 where: bonds (distance) C4'-P energy: -149.295 bonds (distance) P-C4' energy: -162.282 flat angles C4'-P-C4' energy: -111.698 flat angles P-C4'-P energy: -83.332 tors. eta vs tors. theta energy: 8.782 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: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -736.702708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.702708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.702708 (E_RNA) where: Base-Base interactions energy: -299.881 where: short stacking energy: -277.033 Base-Backbone interact. energy: -5.331 local terms energy: -431.490625 where: bonds (distance) C4'-P energy: -143.815 bonds (distance) P-C4' energy: -137.168 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -64.448 tors. eta vs tors. theta energy: 21.061 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: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2083.415510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.415510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.415510 (E_RNA) where: Base-Base interactions energy: -1176.051 where: short stacking energy: -878.044 Base-Backbone interact. energy: -0.006 local terms energy: -907.358262 where: bonds (distance) C4'-P energy: -186.222 bonds (distance) P-C4' energy: -182.272 flat angles C4'-P-C4' energy: -204.734 flat angles P-C4'-P energy: -121.718 tors. eta vs tors. theta energy: -212.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2080.768247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.768247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.768247 (E_RNA) where: Base-Base interactions energy: -1208.950 where: short stacking energy: -825.338 Base-Backbone interact. energy: -5.736 local terms energy: -866.082481 where: bonds (distance) C4'-P energy: -176.023 bonds (distance) P-C4' energy: -182.492 flat angles C4'-P-C4' energy: -192.065 flat angles P-C4'-P energy: -121.390 tors. eta vs tors. theta energy: -194.113 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: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1855.208580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.208580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.208580 (E_RNA) where: Base-Base interactions energy: -1022.508 where: short stacking energy: -718.608 Base-Backbone interact. energy: 0.775 local terms energy: -833.474813 where: bonds (distance) C4'-P energy: -183.229 bonds (distance) P-C4' energy: -180.070 flat angles C4'-P-C4' energy: -180.117 flat angles P-C4'-P energy: -127.965 tors. eta vs tors. theta energy: -162.093 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: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1643.877937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.877937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.877937 (E_RNA) where: Base-Base interactions energy: -902.778 where: short stacking energy: -644.697 Base-Backbone interact. energy: -1.120 local terms energy: -739.979773 where: bonds (distance) C4'-P energy: -160.491 bonds (distance) P-C4' energy: -169.023 flat angles C4'-P-C4' energy: -178.420 flat angles P-C4'-P energy: -102.271 tors. eta vs tors. theta energy: -129.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1510.631504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.631504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.631504 (E_RNA) where: Base-Base interactions energy: -801.936 where: short stacking energy: -596.067 Base-Backbone interact. energy: -0.544 local terms energy: -708.151308 where: bonds (distance) C4'-P energy: -167.129 bonds (distance) P-C4' energy: -156.978 flat angles C4'-P-C4' energy: -164.560 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -115.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1221.842022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.842022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.842022 (E_RNA) where: Base-Base interactions energy: -568.634 where: short stacking energy: -465.221 Base-Backbone interact. energy: 1.446 local terms energy: -654.653963 where: bonds (distance) C4'-P energy: -155.760 bonds (distance) P-C4' energy: -162.224 flat angles C4'-P-C4' energy: -149.699 flat angles P-C4'-P energy: -120.437 tors. eta vs tors. theta energy: -66.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1007.140675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.140675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.140675 (E_RNA) where: Base-Base interactions energy: -447.855 where: short stacking energy: -406.238 Base-Backbone interact. energy: -0.320 local terms energy: -558.965692 where: bonds (distance) C4'-P energy: -158.517 bonds (distance) P-C4' energy: -133.017 flat angles C4'-P-C4' energy: -157.697 flat angles P-C4'-P energy: -79.196 tors. eta vs tors. theta energy: -30.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1017.965512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.965512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.965512 (E_RNA) where: Base-Base interactions energy: -477.485 where: short stacking energy: -398.454 Base-Backbone interact. energy: 1.993 local terms energy: -542.473971 where: bonds (distance) C4'-P energy: -129.155 bonds (distance) P-C4' energy: -167.676 flat angles C4'-P-C4' energy: -148.008 flat angles P-C4'-P energy: -73.693 tors. eta vs tors. theta energy: -23.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -843.985779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.985779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.985779 (E_RNA) where: Base-Base interactions energy: -304.168 where: short stacking energy: -267.438 Base-Backbone interact. energy: -0.516 local terms energy: -539.301582 where: bonds (distance) C4'-P energy: -121.916 bonds (distance) P-C4' energy: -181.845 flat angles C4'-P-C4' energy: -138.830 flat angles P-C4'-P energy: -95.244 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -730.041166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.041166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.041166 (E_RNA) where: Base-Base interactions energy: -257.154 where: short stacking energy: -225.986 Base-Backbone interact. energy: 0.589 local terms energy: -473.475656 where: bonds (distance) C4'-P energy: -138.648 bonds (distance) P-C4' energy: -159.243 flat angles C4'-P-C4' energy: -129.993 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: 23.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2074.565533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.565533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.565533 (E_RNA) where: Base-Base interactions energy: -1168.337 where: short stacking energy: -844.205 Base-Backbone interact. energy: -6.320 local terms energy: -899.908229 where: bonds (distance) C4'-P energy: -172.790 bonds (distance) P-C4' energy: -195.905 flat angles C4'-P-C4' energy: -191.271 flat angles P-C4'-P energy: -125.162 tors. eta vs tors. theta energy: -214.779 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: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2060.057802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.057802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.057802 (E_RNA) where: Base-Base interactions energy: -1188.166 where: short stacking energy: -780.299 Base-Backbone interact. energy: -2.139 local terms energy: -869.752311 where: bonds (distance) C4'-P energy: -186.340 bonds (distance) P-C4' energy: -182.385 flat angles C4'-P-C4' energy: -188.166 flat angles P-C4'-P energy: -128.541 tors. eta vs tors. theta energy: -184.321 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: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1867.842798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.842798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.842798 (E_RNA) where: Base-Base interactions energy: -1066.957 where: short stacking energy: -769.980 Base-Backbone interact. energy: -5.303 local terms energy: -795.583153 where: bonds (distance) C4'-P energy: -164.303 bonds (distance) P-C4' energy: -177.906 flat angles C4'-P-C4' energy: -189.989 flat angles P-C4'-P energy: -109.978 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: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1676.653858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.653858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.653858 (E_RNA) where: Base-Base interactions energy: -886.487 where: short stacking energy: -669.882 Base-Backbone interact. energy: 4.502 local terms energy: -794.669186 where: bonds (distance) C4'-P energy: -170.676 bonds (distance) P-C4' energy: -188.171 flat angles C4'-P-C4' energy: -184.335 flat angles P-C4'-P energy: -106.765 tors. eta vs tors. theta energy: -144.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1500.759933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.759933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.759933 (E_RNA) where: Base-Base interactions energy: -827.930 where: short stacking energy: -601.123 Base-Backbone interact. energy: -2.286 local terms energy: -670.543850 where: bonds (distance) C4'-P energy: -161.548 bonds (distance) P-C4' energy: -155.942 flat angles C4'-P-C4' energy: -162.926 flat angles P-C4'-P energy: -95.710 tors. eta vs tors. theta energy: -94.418 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: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1204.931043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.931043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.931043 (E_RNA) where: Base-Base interactions energy: -591.836 where: short stacking energy: -480.646 Base-Backbone interact. energy: -2.320 local terms energy: -610.775432 where: bonds (distance) C4'-P energy: -145.131 bonds (distance) P-C4' energy: -160.440 flat angles C4'-P-C4' energy: -150.961 flat angles P-C4'-P energy: -104.575 tors. eta vs tors. theta energy: -49.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1034.121248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.121248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.121248 (E_RNA) where: Base-Base interactions energy: -489.598 where: short stacking energy: -391.766 Base-Backbone interact. energy: 4.312 local terms energy: -548.835138 where: bonds (distance) C4'-P energy: -136.136 bonds (distance) P-C4' energy: -159.550 flat angles C4'-P-C4' energy: -142.820 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -22.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -990.758167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.758167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.758167 (E_RNA) where: Base-Base interactions energy: -423.135 where: short stacking energy: -312.009 Base-Backbone interact. energy: 1.936 local terms energy: -569.559050 where: bonds (distance) C4'-P energy: -146.479 bonds (distance) P-C4' energy: -171.399 flat angles C4'-P-C4' energy: -144.149 flat angles P-C4'-P energy: -84.290 tors. eta vs tors. theta energy: -23.242 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: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -856.071935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.071935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.071935 (E_RNA) where: Base-Base interactions energy: -356.796 where: short stacking energy: -297.872 Base-Backbone interact. energy: 12.855 local terms energy: -512.130305 where: bonds (distance) C4'-P energy: -132.218 bonds (distance) P-C4' energy: -180.000 flat angles C4'-P-C4' energy: -122.647 flat angles P-C4'-P energy: -74.327 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -779.915573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.915573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.915573 (E_RNA) where: Base-Base interactions energy: -312.221 where: short stacking energy: -281.752 Base-Backbone interact. energy: -3.772 local terms energy: -463.922283 where: bonds (distance) C4'-P energy: -130.667 bonds (distance) P-C4' energy: -165.165 flat angles C4'-P-C4' energy: -147.915 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: 23.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2066.399374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.399374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.399374 (E_RNA) where: Base-Base interactions energy: -1168.890 where: short stacking energy: -867.993 Base-Backbone interact. energy: 4.060 local terms energy: -901.569385 where: bonds (distance) C4'-P energy: -179.798 bonds (distance) P-C4' energy: -187.176 flat angles C4'-P-C4' energy: -193.921 flat angles P-C4'-P energy: -135.768 tors. eta vs tors. theta energy: -204.906 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: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2098.344558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.344558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.344558 (E_RNA) where: Base-Base interactions energy: -1239.227 where: short stacking energy: -864.286 Base-Backbone interact. energy: -0.454 local terms energy: -858.662699 where: bonds (distance) C4'-P energy: -166.979 bonds (distance) P-C4' energy: -181.037 flat angles C4'-P-C4' energy: -180.823 flat angles P-C4'-P energy: -126.361 tors. eta vs tors. theta energy: -203.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1868.452977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.452977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.452977 (E_RNA) where: Base-Base interactions energy: -1067.762 where: short stacking energy: -750.916 Base-Backbone interact. energy: -1.205 local terms energy: -799.486040 where: bonds (distance) C4'-P energy: -143.819 bonds (distance) P-C4' energy: -182.705 flat angles C4'-P-C4' energy: -184.913 flat angles P-C4'-P energy: -130.714 tors. eta vs tors. theta energy: -157.335 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: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1596.854074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.854074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.854074 (E_RNA) where: Base-Base interactions energy: -813.898 where: short stacking energy: -608.962 Base-Backbone interact. energy: -1.769 local terms energy: -781.186531 where: bonds (distance) C4'-P energy: -162.633 bonds (distance) P-C4' energy: -192.264 flat angles C4'-P-C4' energy: -175.923 flat angles P-C4'-P energy: -109.633 tors. eta vs tors. theta energy: -140.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1446.989052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.989052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.989052 (E_RNA) where: Base-Base interactions energy: -767.531 where: short stacking energy: -571.186 Base-Backbone interact. energy: 0.384 local terms energy: -679.841371 where: bonds (distance) C4'-P energy: -152.607 bonds (distance) P-C4' energy: -183.896 flat angles C4'-P-C4' energy: -155.484 flat angles P-C4'-P energy: -107.221 tors. eta vs tors. theta energy: -80.633 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: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1206.860909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.860909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.860909 (E_RNA) where: Base-Base interactions energy: -575.286 where: short stacking energy: -434.909 Base-Backbone interact. energy: -0.613 local terms energy: -630.961158 where: bonds (distance) C4'-P energy: -163.505 bonds (distance) P-C4' energy: -145.650 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -92.005 tors. eta vs tors. theta energy: -60.675 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: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1055.719597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.719597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.719597 (E_RNA) where: Base-Base interactions energy: -502.100 where: short stacking energy: -389.426 Base-Backbone interact. energy: -0.955 local terms energy: -552.664539 where: bonds (distance) C4'-P energy: -140.516 bonds (distance) P-C4' energy: -163.117 flat angles C4'-P-C4' energy: -114.384 flat angles P-C4'-P energy: -103.250 tors. eta vs tors. theta energy: -31.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -876.690611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.690611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.690611 (E_RNA) where: Base-Base interactions energy: -368.129 where: short stacking energy: -311.691 Base-Backbone interact. energy: 2.418 local terms energy: -510.980417 where: bonds (distance) C4'-P energy: -151.739 bonds (distance) P-C4' energy: -126.999 flat angles C4'-P-C4' energy: -137.047 flat angles P-C4'-P energy: -94.773 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -861.873141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.873141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.873141 (E_RNA) where: Base-Base interactions energy: -348.971 where: short stacking energy: -289.284 Base-Backbone interact. energy: 3.073 local terms energy: -515.974518 where: bonds (distance) C4'-P energy: -150.739 bonds (distance) P-C4' energy: -151.039 flat angles C4'-P-C4' energy: -142.422 flat angles P-C4'-P energy: -78.636 tors. eta vs tors. theta energy: 6.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -762.880413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.880413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.880413 (E_RNA) where: Base-Base interactions energy: -287.431 where: short stacking energy: -252.661 Base-Backbone interact. energy: 1.010 local terms energy: -476.459715 where: bonds (distance) C4'-P energy: -138.222 bonds (distance) P-C4' energy: -175.026 flat angles C4'-P-C4' energy: -124.344 flat angles P-C4'-P energy: -61.329 tors. eta vs tors. theta energy: 22.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2121.332674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.332674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.332674 (E_RNA) where: Base-Base interactions energy: -1215.230 where: short stacking energy: -819.156 Base-Backbone interact. energy: -1.583 local terms energy: -904.519175 where: bonds (distance) C4'-P energy: -189.063 bonds (distance) P-C4' energy: -187.382 flat angles C4'-P-C4' energy: -201.080 flat angles P-C4'-P energy: -129.453 tors. eta vs tors. theta energy: -197.542 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: 32 Temperature: 0.950000 Total energy: -1942.725110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.725110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.725110 (E_RNA) where: Base-Base interactions energy: -1073.396 where: short stacking energy: -790.839 Base-Backbone interact. energy: -1.622 local terms energy: -867.707267 where: bonds (distance) C4'-P energy: -186.056 bonds (distance) P-C4' energy: -196.775 flat angles C4'-P-C4' energy: -192.761 flat angles P-C4'-P energy: -111.739 tors. eta vs tors. theta energy: -180.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1877.725138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.725138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.725138 (E_RNA) where: Base-Base interactions energy: -1074.526 where: short stacking energy: -730.608 Base-Backbone interact. energy: -2.032 local terms energy: -801.167606 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -162.594 flat angles C4'-P-C4' energy: -175.300 flat angles P-C4'-P energy: -123.634 tors. eta vs tors. theta energy: -162.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1616.721456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.721456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.721456 (E_RNA) where: Base-Base interactions energy: -879.813 where: short stacking energy: -674.973 Base-Backbone interact. energy: -2.116 local terms energy: -734.792950 where: bonds (distance) C4'-P energy: -166.450 bonds (distance) P-C4' energy: -167.147 flat angles C4'-P-C4' energy: -168.760 flat angles P-C4'-P energy: -96.026 tors. eta vs tors. theta energy: -136.411 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: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1473.630789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.630789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.630789 (E_RNA) where: Base-Base interactions energy: -775.897 where: short stacking energy: -562.641 Base-Backbone interact. energy: 0.005 local terms energy: -697.739499 where: bonds (distance) C4'-P energy: -162.730 bonds (distance) P-C4' energy: -168.400 flat angles C4'-P-C4' energy: -179.892 flat angles P-C4'-P energy: -97.518 tors. eta vs tors. theta energy: -89.200 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: 32 Temperature: 1.150000 Total energy: -1200.614297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.614297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.614297 (E_RNA) where: Base-Base interactions energy: -583.410 where: short stacking energy: -460.722 Base-Backbone interact. energy: 0.015 local terms energy: -617.219365 where: bonds (distance) C4'-P energy: -137.547 bonds (distance) P-C4' energy: -179.750 flat angles C4'-P-C4' energy: -150.947 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -53.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1139.548373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.548373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.548373 (E_RNA) where: Base-Base interactions energy: -565.826 where: short stacking energy: -446.458 Base-Backbone interact. energy: -3.079 local terms energy: -570.643797 where: bonds (distance) C4'-P energy: -133.770 bonds (distance) P-C4' energy: -158.833 flat angles C4'-P-C4' energy: -145.053 flat angles P-C4'-P energy: -90.721 tors. eta vs tors. theta energy: -42.267 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: 32 Temperature: 1.250000 Total energy: -985.049298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.049298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.049298 (E_RNA) where: Base-Base interactions energy: -420.278 where: short stacking energy: -371.176 Base-Backbone interact. energy: 0.071 local terms energy: -564.841718 where: bonds (distance) C4'-P energy: -149.061 bonds (distance) P-C4' energy: -158.301 flat angles C4'-P-C4' energy: -147.747 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -23.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -879.271397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.271397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.271397 (E_RNA) where: Base-Base interactions energy: -362.967 where: short stacking energy: -287.895 Base-Backbone interact. energy: 1.105 local terms energy: -517.409769 where: bonds (distance) C4'-P energy: -148.269 bonds (distance) P-C4' energy: -169.849 flat angles C4'-P-C4' energy: -119.348 flat angles P-C4'-P energy: -84.168 tors. eta vs tors. theta energy: 4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -756.804010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.804010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.804010 (E_RNA) where: Base-Base interactions energy: -309.418 where: short stacking energy: -255.306 Base-Backbone interact. energy: 3.213 local terms energy: -450.598626 where: bonds (distance) C4'-P energy: -115.552 bonds (distance) P-C4' energy: -152.315 flat angles C4'-P-C4' energy: -132.380 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: 35.962 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: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2142.457705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.457705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.457705 (E_RNA) where: Base-Base interactions energy: -1261.145 where: short stacking energy: -836.807 Base-Backbone interact. energy: -3.524 local terms energy: -877.789267 where: bonds (distance) C4'-P energy: -174.390 bonds (distance) P-C4' energy: -185.342 flat angles C4'-P-C4' energy: -201.667 flat angles P-C4'-P energy: -128.413 tors. eta vs tors. theta energy: -187.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1947.795823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.795823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.795823 (E_RNA) where: Base-Base interactions energy: -1079.058 where: short stacking energy: -805.230 Base-Backbone interact. energy: -1.717 local terms energy: -867.020808 where: bonds (distance) C4'-P energy: -182.976 bonds (distance) P-C4' energy: -179.463 flat angles C4'-P-C4' energy: -196.291 flat angles P-C4'-P energy: -135.384 tors. eta vs tors. theta energy: -172.907 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: 33 Temperature: 1.000000 Total energy: -1901.797723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.797723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.797723 (E_RNA) where: Base-Base interactions energy: -1087.903 where: short stacking energy: -727.256 Base-Backbone interact. energy: 0.514 local terms energy: -814.408419 where: bonds (distance) C4'-P energy: -180.942 bonds (distance) P-C4' energy: -173.726 flat angles C4'-P-C4' energy: -198.518 flat angles P-C4'-P energy: -109.436 tors. eta vs tors. theta energy: -151.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1647.848462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.848462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.848462 (E_RNA) where: Base-Base interactions energy: -892.649 where: short stacking energy: -659.419 Base-Backbone interact. energy: -1.529 local terms energy: -753.669920 where: bonds (distance) C4'-P energy: -175.080 bonds (distance) P-C4' energy: -171.935 flat angles C4'-P-C4' energy: -178.842 flat angles P-C4'-P energy: -101.655 tors. eta vs tors. theta energy: -126.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1413.385395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.385395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.385395 (E_RNA) where: Base-Base interactions energy: -749.021 where: short stacking energy: -577.752 Base-Backbone interact. energy: -3.527 local terms energy: -660.837676 where: bonds (distance) C4'-P energy: -156.945 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -170.093 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -84.395 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: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1251.209868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.209868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.209868 (E_RNA) where: Base-Base interactions energy: -590.341 where: short stacking energy: -473.600 Base-Backbone interact. energy: -4.506 local terms energy: -656.363224 where: bonds (distance) C4'-P energy: -163.540 bonds (distance) P-C4' energy: -165.971 flat angles C4'-P-C4' energy: -171.278 flat angles P-C4'-P energy: -95.186 tors. eta vs tors. theta energy: -60.389 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1096.449680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.449680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.449680 (E_RNA) where: Base-Base interactions energy: -503.278 where: short stacking energy: -419.698 Base-Backbone interact. energy: 1.217 local terms energy: -594.388523 where: bonds (distance) C4'-P energy: -167.835 bonds (distance) P-C4' energy: -163.742 flat angles C4'-P-C4' energy: -143.508 flat angles P-C4'-P energy: -82.827 tors. eta vs tors. theta energy: -36.477 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: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -954.119633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.119633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.119633 (E_RNA) where: Base-Base interactions energy: -421.196 where: short stacking energy: -366.731 Base-Backbone interact. energy: 6.236 local terms energy: -539.159076 where: bonds (distance) C4'-P energy: -157.280 bonds (distance) P-C4' energy: -154.885 flat angles C4'-P-C4' energy: -136.243 flat angles P-C4'-P energy: -73.223 tors. eta vs tors. theta energy: -17.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -820.521758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.521758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.521758 (E_RNA) where: Base-Base interactions energy: -354.910 where: short stacking energy: -295.225 Base-Backbone interact. energy: -0.690 local terms energy: -464.921802 where: bonds (distance) C4'-P energy: -135.463 bonds (distance) P-C4' energy: -176.309 flat angles C4'-P-C4' energy: -119.542 flat angles P-C4'-P energy: -51.812 tors. eta vs tors. theta energy: 18.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -755.709297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.709297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.709297 (E_RNA) where: Base-Base interactions energy: -293.667 where: short stacking energy: -253.788 Base-Backbone interact. energy: 7.894 local terms energy: -469.936704 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -154.063 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: 25.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2189.505335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.505335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.505335 (E_RNA) where: Base-Base interactions energy: -1298.830 where: short stacking energy: -841.124 Base-Backbone interact. energy: -3.686 local terms energy: -886.989847 where: bonds (distance) C4'-P energy: -180.559 bonds (distance) P-C4' energy: -195.052 flat angles C4'-P-C4' energy: -197.779 flat angles P-C4'-P energy: -139.033 tors. eta vs tors. theta energy: -174.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1991.226687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.226687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.226687 (E_RNA) where: Base-Base interactions energy: -1100.325 where: short stacking energy: -826.816 Base-Backbone interact. energy: 0.721 local terms energy: -891.623191 where: bonds (distance) C4'-P energy: -180.701 bonds (distance) P-C4' energy: -177.864 flat angles C4'-P-C4' energy: -208.048 flat angles P-C4'-P energy: -142.119 tors. eta vs tors. theta energy: -182.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1970.149603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.149603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.149603 (E_RNA) where: Base-Base interactions energy: -1134.952 where: short stacking energy: -747.055 Base-Backbone interact. energy: -3.401 local terms energy: -831.796704 where: bonds (distance) C4'-P energy: -175.626 bonds (distance) P-C4' energy: -185.979 flat angles C4'-P-C4' energy: -183.086 flat angles P-C4'-P energy: -123.878 tors. eta vs tors. theta energy: -163.228 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: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1608.031376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.031376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.031376 (E_RNA) where: Base-Base interactions energy: -858.031 where: short stacking energy: -626.653 Base-Backbone interact. energy: -3.538 local terms energy: -746.462287 where: bonds (distance) C4'-P energy: -154.070 bonds (distance) P-C4' energy: -173.430 flat angles C4'-P-C4' energy: -181.732 flat angles P-C4'-P energy: -119.359 tors. eta vs tors. theta energy: -117.871 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: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1423.666649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.666649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.666649 (E_RNA) where: Base-Base interactions energy: -722.175 where: short stacking energy: -554.008 Base-Backbone interact. energy: 1.918 local terms energy: -703.409516 where: bonds (distance) C4'-P energy: -153.125 bonds (distance) P-C4' energy: -185.762 flat angles C4'-P-C4' energy: -164.659 flat angles P-C4'-P energy: -97.179 tors. eta vs tors. theta energy: -102.686 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1240.778832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.778832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.778832 (E_RNA) where: Base-Base interactions energy: -623.418 where: short stacking energy: -451.383 Base-Backbone interact. energy: -3.001 local terms energy: -614.360056 where: bonds (distance) C4'-P energy: -152.288 bonds (distance) P-C4' energy: -173.235 flat angles C4'-P-C4' energy: -138.350 flat angles P-C4'-P energy: -101.414 tors. eta vs tors. theta energy: -49.073 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: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1142.330769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.330769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.330769 (E_RNA) where: Base-Base interactions energy: -528.401 where: short stacking energy: -431.485 Base-Backbone interact. energy: 5.155 local terms energy: -619.085117 where: bonds (distance) C4'-P energy: -163.196 bonds (distance) P-C4' energy: -174.681 flat angles C4'-P-C4' energy: -135.976 flat angles P-C4'-P energy: -94.973 tors. eta vs tors. theta energy: -50.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -942.640572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.640572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.640572 (E_RNA) where: Base-Base interactions energy: -402.388 where: short stacking energy: -345.964 Base-Backbone interact. energy: -1.859 local terms energy: -538.393287 where: bonds (distance) C4'-P energy: -133.735 bonds (distance) P-C4' energy: -173.199 flat angles C4'-P-C4' energy: -150.708 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: -16.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -828.364923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.364923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.364923 (E_RNA) where: Base-Base interactions energy: -335.749 where: short stacking energy: -303.952 Base-Backbone interact. energy: 2.740 local terms energy: -495.356170 where: bonds (distance) C4'-P energy: -135.885 bonds (distance) P-C4' energy: -156.554 flat angles C4'-P-C4' energy: -148.340 flat angles P-C4'-P energy: -64.540 tors. eta vs tors. theta energy: 9.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -760.182643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.182643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.182643 (E_RNA) where: Base-Base interactions energy: -293.805 where: short stacking energy: -274.322 Base-Backbone interact. energy: 3.158 local terms energy: -469.535638 where: bonds (distance) C4'-P energy: -138.339 bonds (distance) P-C4' energy: -152.324 flat angles C4'-P-C4' energy: -128.470 flat angles P-C4'-P energy: -77.882 tors. eta vs tors. theta energy: 27.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2248.607459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.607459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.607459 (E_RNA) where: Base-Base interactions energy: -1325.725 where: short stacking energy: -896.366 Base-Backbone interact. energy: 0.090 local terms energy: -922.972569 where: bonds (distance) C4'-P energy: -180.790 bonds (distance) P-C4' energy: -187.483 flat angles C4'-P-C4' energy: -206.209 flat angles P-C4'-P energy: -135.799 tors. eta vs tors. theta energy: -212.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1956.238032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.238032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.238032 (E_RNA) where: Base-Base interactions energy: -1105.770 where: short stacking energy: -799.843 Base-Backbone interact. energy: -2.477 local terms energy: -847.991784 where: bonds (distance) C4'-P energy: -160.479 bonds (distance) P-C4' energy: -178.652 flat angles C4'-P-C4' energy: -185.844 flat angles P-C4'-P energy: -127.267 tors. eta vs tors. theta energy: -195.749 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: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1924.134787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.134787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.134787 (E_RNA) where: Base-Base interactions energy: -1089.967 where: short stacking energy: -718.096 Base-Backbone interact. energy: -2.582 local terms energy: -831.585804 where: bonds (distance) C4'-P energy: -188.383 bonds (distance) P-C4' energy: -182.601 flat angles C4'-P-C4' energy: -174.785 flat angles P-C4'-P energy: -133.053 tors. eta vs tors. theta energy: -152.764 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: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1654.097082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.097082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.097082 (E_RNA) where: Base-Base interactions energy: -869.025 where: short stacking energy: -639.069 Base-Backbone interact. energy: 0.299 local terms energy: -785.371250 where: bonds (distance) C4'-P energy: -169.266 bonds (distance) P-C4' energy: -189.981 flat angles C4'-P-C4' energy: -176.748 flat angles P-C4'-P energy: -117.099 tors. eta vs tors. theta energy: -132.277 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: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1457.393163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.393163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.393163 (E_RNA) where: Base-Base interactions energy: -772.953 where: short stacking energy: -506.204 Base-Backbone interact. energy: -3.066 local terms energy: -681.374065 where: bonds (distance) C4'-P energy: -148.595 bonds (distance) P-C4' energy: -170.977 flat angles C4'-P-C4' energy: -166.795 flat angles P-C4'-P energy: -102.810 tors. eta vs tors. theta energy: -92.197 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: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1283.071897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.071897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.071897 (E_RNA) where: Base-Base interactions energy: -653.551 where: short stacking energy: -458.316 Base-Backbone interact. energy: -1.590 local terms energy: -627.931089 where: bonds (distance) C4'-P energy: -161.462 bonds (distance) P-C4' energy: -156.274 flat angles C4'-P-C4' energy: -148.187 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -65.458 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: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1097.972208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.972208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.972208 (E_RNA) where: Base-Base interactions energy: -523.253 where: short stacking energy: -433.092 Base-Backbone interact. energy: 3.113 local terms energy: -577.832462 where: bonds (distance) C4'-P energy: -160.901 bonds (distance) P-C4' energy: -165.382 flat angles C4'-P-C4' energy: -146.130 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -48.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -969.500551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.500551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.500551 (E_RNA) where: Base-Base interactions energy: -435.232 where: short stacking energy: -374.316 Base-Backbone interact. energy: 5.513 local terms energy: -539.782217 where: bonds (distance) C4'-P energy: -143.735 bonds (distance) P-C4' energy: -149.167 flat angles C4'-P-C4' energy: -141.908 flat angles P-C4'-P energy: -83.502 tors. eta vs tors. theta energy: -21.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -885.328992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.328992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.328992 (E_RNA) where: Base-Base interactions energy: -394.757 where: short stacking energy: -334.083 Base-Backbone interact. energy: -0.689 local terms energy: -489.882965 where: bonds (distance) C4'-P energy: -154.618 bonds (distance) P-C4' energy: -145.006 flat angles C4'-P-C4' energy: -122.682 flat angles P-C4'-P energy: -58.224 tors. eta vs tors. theta energy: -9.352 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: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -755.882697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.882697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.882697 (E_RNA) where: Base-Base interactions energy: -270.799 where: short stacking energy: -248.016 Base-Backbone interact. energy: -2.146 local terms energy: -482.937618 where: bonds (distance) C4'-P energy: -142.789 bonds (distance) P-C4' energy: -152.559 flat angles C4'-P-C4' energy: -140.062 flat angles P-C4'-P energy: -62.327 tors. eta vs tors. theta energy: 14.799 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: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2252.258489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.258489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.258489 (E_RNA) where: Base-Base interactions energy: -1358.092 where: short stacking energy: -894.386 Base-Backbone interact. energy: 3.521 local terms energy: -897.688002 where: bonds (distance) C4'-P energy: -184.448 bonds (distance) P-C4' energy: -180.028 flat angles C4'-P-C4' energy: -201.289 flat angles P-C4'-P energy: -113.095 tors. eta vs tors. theta energy: -218.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1991.086008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.086008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.086008 (E_RNA) where: Base-Base interactions energy: -1108.421 where: short stacking energy: -855.291 Base-Backbone interact. energy: -1.742 local terms energy: -880.922336 where: bonds (distance) C4'-P energy: -181.361 bonds (distance) P-C4' energy: -152.735 flat angles C4'-P-C4' energy: -205.841 flat angles P-C4'-P energy: -126.713 tors. eta vs tors. theta energy: -214.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1951.475713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.475713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.475713 (E_RNA) where: Base-Base interactions energy: -1139.756 where: short stacking energy: -737.772 Base-Backbone interact. energy: 0.951 local terms energy: -812.670231 where: bonds (distance) C4'-P energy: -160.585 bonds (distance) P-C4' energy: -170.400 flat angles C4'-P-C4' energy: -197.938 flat angles P-C4'-P energy: -117.426 tors. eta vs tors. theta energy: -166.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1567.944092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.944092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.944092 (E_RNA) where: Base-Base interactions energy: -852.508 where: short stacking energy: -629.814 Base-Backbone interact. energy: 1.682 local terms energy: -717.118487 where: bonds (distance) C4'-P energy: -158.423 bonds (distance) P-C4' energy: -170.742 flat angles C4'-P-C4' energy: -170.726 flat angles P-C4'-P energy: -113.855 tors. eta vs tors. theta energy: -103.373 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: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1428.455996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.455996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.455996 (E_RNA) where: Base-Base interactions energy: -749.564 where: short stacking energy: -566.505 Base-Backbone interact. energy: -2.536 local terms energy: -676.355507 where: bonds (distance) C4'-P energy: -137.278 bonds (distance) P-C4' energy: -178.996 flat angles C4'-P-C4' energy: -174.663 flat angles P-C4'-P energy: -110.815 tors. eta vs tors. theta energy: -74.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1318.854417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.854417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.854417 (E_RNA) where: Base-Base interactions energy: -678.835 where: short stacking energy: -517.977 Base-Backbone interact. energy: -2.162 local terms energy: -637.857383 where: bonds (distance) C4'-P energy: -137.098 bonds (distance) P-C4' energy: -166.664 flat angles C4'-P-C4' energy: -154.109 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -79.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1069.048109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.048109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.048109 (E_RNA) where: Base-Base interactions energy: -510.515 where: short stacking energy: -440.471 Base-Backbone interact. energy: -1.179 local terms energy: -557.354850 where: bonds (distance) C4'-P energy: -156.783 bonds (distance) P-C4' energy: -147.331 flat angles C4'-P-C4' energy: -138.435 flat angles P-C4'-P energy: -81.525 tors. eta vs tors. theta energy: -33.281 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: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -924.597115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.597115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.597115 (E_RNA) where: Base-Base interactions energy: -428.119 where: short stacking energy: -321.648 Base-Backbone interact. energy: -2.775 local terms energy: -493.703676 where: bonds (distance) C4'-P energy: -156.559 bonds (distance) P-C4' energy: -143.760 flat angles C4'-P-C4' energy: -146.153 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: 9.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -852.532100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.532100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.532100 (E_RNA) where: Base-Base interactions energy: -348.736 where: short stacking energy: -330.179 Base-Backbone interact. energy: 7.333 local terms energy: -511.128687 where: bonds (distance) C4'-P energy: -130.332 bonds (distance) P-C4' energy: -157.300 flat angles C4'-P-C4' energy: -129.875 flat angles P-C4'-P energy: -89.385 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -740.700189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.700189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.700189 (E_RNA) where: Base-Base interactions energy: -269.373 where: short stacking energy: -255.228 Base-Backbone interact. energy: 11.184 local terms energy: -482.510723 where: bonds (distance) C4'-P energy: -133.385 bonds (distance) P-C4' energy: -154.848 flat angles C4'-P-C4' energy: -130.953 flat angles P-C4'-P energy: -86.998 tors. eta vs tors. theta energy: 23.673 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: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2323.994453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.994453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.994453 (E_RNA) where: Base-Base interactions energy: -1416.925 where: short stacking energy: -929.350 Base-Backbone interact. energy: -4.793 local terms energy: -902.276044 where: bonds (distance) C4'-P energy: -148.658 bonds (distance) P-C4' energy: -196.537 flat angles C4'-P-C4' energy: -192.827 flat angles P-C4'-P energy: -135.285 tors. eta vs tors. theta energy: -228.969 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: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1983.432248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.432248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.432248 (E_RNA) where: Base-Base interactions energy: -1056.126 where: short stacking energy: -786.367 Base-Backbone interact. energy: -1.460 local terms energy: -925.846349 where: bonds (distance) C4'-P energy: -178.087 bonds (distance) P-C4' energy: -206.677 flat angles C4'-P-C4' energy: -213.644 flat angles P-C4'-P energy: -133.297 tors. eta vs tors. theta energy: -194.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1968.599327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.599327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.599327 (E_RNA) where: Base-Base interactions energy: -1141.070 where: short stacking energy: -762.508 Base-Backbone interact. energy: -1.790 local terms energy: -825.739316 where: bonds (distance) C4'-P energy: -163.518 bonds (distance) P-C4' energy: -181.616 flat angles C4'-P-C4' energy: -184.772 flat angles P-C4'-P energy: -115.546 tors. eta vs tors. theta energy: -180.288 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: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1608.608193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.608193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.608193 (E_RNA) where: Base-Base interactions energy: -847.593 where: short stacking energy: -636.913 Base-Backbone interact. energy: 0.588 local terms energy: -761.603643 where: bonds (distance) C4'-P energy: -173.475 bonds (distance) P-C4' energy: -158.181 flat angles C4'-P-C4' energy: -177.228 flat angles P-C4'-P energy: -122.482 tors. eta vs tors. theta energy: -130.238 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: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1488.163889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.163889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.163889 (E_RNA) where: Base-Base interactions energy: -790.488 where: short stacking energy: -560.086 Base-Backbone interact. energy: -0.911 local terms energy: -696.764875 where: bonds (distance) C4'-P energy: -152.043 bonds (distance) P-C4' energy: -170.748 flat angles C4'-P-C4' energy: -174.981 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -102.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1282.521580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.521580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.521580 (E_RNA) where: Base-Base interactions energy: -633.081 where: short stacking energy: -464.623 Base-Backbone interact. energy: -0.562 local terms energy: -648.879009 where: bonds (distance) C4'-P energy: -165.257 bonds (distance) P-C4' energy: -181.020 flat angles C4'-P-C4' energy: -168.785 flat angles P-C4'-P energy: -80.543 tors. eta vs tors. theta energy: -53.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -989.198922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.198922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.198922 (E_RNA) where: Base-Base interactions energy: -432.325 where: short stacking energy: -346.189 Base-Backbone interact. energy: 1.845 local terms energy: -558.718537 where: bonds (distance) C4'-P energy: -158.313 bonds (distance) P-C4' energy: -163.245 flat angles C4'-P-C4' energy: -167.917 flat angles P-C4'-P energy: -55.877 tors. eta vs tors. theta energy: -13.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -914.549487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.549487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.549487 (E_RNA) where: Base-Base interactions energy: -370.473 where: short stacking energy: -310.050 Base-Backbone interact. energy: -3.325 local terms energy: -540.751635 where: bonds (distance) C4'-P energy: -151.220 bonds (distance) P-C4' energy: -153.126 flat angles C4'-P-C4' energy: -131.036 flat angles P-C4'-P energy: -75.794 tors. eta vs tors. theta energy: -29.576 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: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -840.442527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.442527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.442527 (E_RNA) where: Base-Base interactions energy: -323.611 where: short stacking energy: -288.576 Base-Backbone interact. energy: -2.156 local terms energy: -514.675814 where: bonds (distance) C4'-P energy: -149.237 bonds (distance) P-C4' energy: -158.160 flat angles C4'-P-C4' energy: -126.296 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: 6.851 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: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -800.464758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.464758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.464758 (E_RNA) where: Base-Base interactions energy: -317.374 where: short stacking energy: -289.831 Base-Backbone interact. energy: 3.863 local terms energy: -486.954125 where: bonds (distance) C4'-P energy: -153.314 bonds (distance) P-C4' energy: -142.181 flat angles C4'-P-C4' energy: -126.826 flat angles P-C4'-P energy: -79.284 tors. eta vs tors. theta energy: 14.650 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: 1 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2352.111318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.111318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.111318 (E_RNA) where: Base-Base interactions energy: -1454.352 where: short stacking energy: -953.285 Base-Backbone interact. energy: -5.431 local terms energy: -892.328622 where: bonds (distance) C4'-P energy: -171.034 bonds (distance) P-C4' energy: -163.583 flat angles C4'-P-C4' energy: -200.548 flat angles P-C4'-P energy: -131.227 tors. eta vs tors. theta energy: -225.937 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: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1958.264699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.264699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.264699 (E_RNA) where: Base-Base interactions energy: -1095.592 where: short stacking energy: -849.317 Base-Backbone interact. energy: -3.815 local terms energy: -858.857499 where: bonds (distance) C4'-P energy: -174.719 bonds (distance) P-C4' energy: -182.794 flat angles C4'-P-C4' energy: -175.313 flat angles P-C4'-P energy: -125.797 tors. eta vs tors. theta energy: -200.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1924.590730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.590730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.590730 (E_RNA) where: Base-Base interactions energy: -1109.595 where: short stacking energy: -712.848 Base-Backbone interact. energy: -2.958 local terms energy: -812.037170 where: bonds (distance) C4'-P energy: -173.147 bonds (distance) P-C4' energy: -180.488 flat angles C4'-P-C4' energy: -174.701 flat angles P-C4'-P energy: -121.441 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: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1624.992995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.992995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.992995 (E_RNA) where: Base-Base interactions energy: -883.053 where: short stacking energy: -652.384 Base-Backbone interact. energy: 7.686 local terms energy: -749.626397 where: bonds (distance) C4'-P energy: -188.146 bonds (distance) P-C4' energy: -164.363 flat angles C4'-P-C4' energy: -163.105 flat angles P-C4'-P energy: -108.591 tors. eta vs tors. theta energy: -125.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1457.144311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.144311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.144311 (E_RNA) where: Base-Base interactions energy: -735.751 where: short stacking energy: -540.414 Base-Backbone interact. energy: -2.914 local terms energy: -718.479507 where: bonds (distance) C4'-P energy: -150.139 bonds (distance) P-C4' energy: -182.143 flat angles C4'-P-C4' energy: -163.761 flat angles P-C4'-P energy: -112.066 tors. eta vs tors. theta energy: -110.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1392.108539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.108539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.108539 (E_RNA) where: Base-Base interactions energy: -721.326 where: short stacking energy: -542.903 Base-Backbone interact. energy: 1.289 local terms energy: -672.071437 where: bonds (distance) C4'-P energy: -156.621 bonds (distance) P-C4' energy: -169.997 flat angles C4'-P-C4' energy: -158.091 flat angles P-C4'-P energy: -112.051 tors. eta vs tors. theta energy: -75.311 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: 38 Temperature: 1.200000 Total energy: -1053.376357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.376357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.376357 (E_RNA) where: Base-Base interactions energy: -500.525 where: short stacking energy: -420.257 Base-Backbone interact. energy: 5.633 local terms energy: -558.485164 where: bonds (distance) C4'-P energy: -133.457 bonds (distance) P-C4' energy: -176.640 flat angles C4'-P-C4' energy: -143.510 flat angles P-C4'-P energy: -85.599 tors. eta vs tors. theta energy: -19.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -947.685294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.685294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.685294 (E_RNA) where: Base-Base interactions energy: -415.062 where: short stacking energy: -351.095 Base-Backbone interact. energy: 2.349 local terms energy: -534.972219 where: bonds (distance) C4'-P energy: -153.852 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -125.698 flat angles P-C4'-P energy: -97.196 tors. eta vs tors. theta energy: -7.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -834.638650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.638650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.638650 (E_RNA) where: Base-Base interactions energy: -351.597 where: short stacking energy: -281.094 Base-Backbone interact. energy: 1.718 local terms energy: -484.759662 where: bonds (distance) C4'-P energy: -141.635 bonds (distance) P-C4' energy: -162.061 flat angles C4'-P-C4' energy: -123.534 flat angles P-C4'-P energy: -78.891 tors. eta vs tors. theta energy: 21.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -749.310575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.310575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.310575 (E_RNA) where: Base-Base interactions energy: -285.117 where: short stacking energy: -239.997 Base-Backbone interact. energy: 1.134 local terms energy: -465.328013 where: bonds (distance) C4'-P energy: -154.793 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -129.911 flat angles P-C4'-P energy: -96.218 tors. eta vs tors. theta energy: 28.614 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: 1 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2402.892642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.892642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.892642 (E_RNA) where: Base-Base interactions energy: -1459.912 where: short stacking energy: -947.837 Base-Backbone interact. energy: -2.867 local terms energy: -940.113024 where: bonds (distance) C4'-P energy: -180.201 bonds (distance) P-C4' energy: -184.475 flat angles C4'-P-C4' energy: -208.069 flat angles P-C4'-P energy: -126.636 tors. eta vs tors. theta energy: -240.732 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: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2109.318087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.318087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.318087 (E_RNA) where: Base-Base interactions energy: -1211.015 where: short stacking energy: -807.846 Base-Backbone interact. energy: -3.462 local terms energy: -894.841085 where: bonds (distance) C4'-P energy: -179.204 bonds (distance) P-C4' energy: -195.267 flat angles C4'-P-C4' energy: -192.741 flat angles P-C4'-P energy: -128.767 tors. eta vs tors. theta energy: -198.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1837.175214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.175214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.175214 (E_RNA) where: Base-Base interactions energy: -997.832 where: short stacking energy: -769.315 Base-Backbone interact. energy: 4.326 local terms energy: -843.669919 where: bonds (distance) C4'-P energy: -163.337 bonds (distance) P-C4' energy: -203.044 flat angles C4'-P-C4' energy: -181.394 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -183.816 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: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1599.759939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.759939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.759939 (E_RNA) where: Base-Base interactions energy: -873.640 where: short stacking energy: -645.660 Base-Backbone interact. energy: 0.197 local terms energy: -726.316728 where: bonds (distance) C4'-P energy: -153.429 bonds (distance) P-C4' energy: -168.234 flat angles C4'-P-C4' energy: -168.646 flat angles P-C4'-P energy: -107.696 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: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1463.892167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.892167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.892167 (E_RNA) where: Base-Base interactions energy: -775.365 where: short stacking energy: -580.975 Base-Backbone interact. energy: -0.575 local terms energy: -687.952148 where: bonds (distance) C4'-P energy: -148.154 bonds (distance) P-C4' energy: -173.390 flat angles C4'-P-C4' energy: -167.893 flat angles P-C4'-P energy: -97.663 tors. eta vs tors. theta energy: -100.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1269.751450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.751450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.751450 (E_RNA) where: Base-Base interactions energy: -636.343 where: short stacking energy: -481.925 Base-Backbone interact. energy: 6.269 local terms energy: -639.677304 where: bonds (distance) C4'-P energy: -160.731 bonds (distance) P-C4' energy: -160.866 flat angles C4'-P-C4' energy: -170.492 flat angles P-C4'-P energy: -93.137 tors. eta vs tors. theta energy: -54.451 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: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1049.531583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.531583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.531583 (E_RNA) where: Base-Base interactions energy: -475.897 where: short stacking energy: -414.289 Base-Backbone interact. energy: 9.977 local terms energy: -583.611265 where: bonds (distance) C4'-P energy: -154.085 bonds (distance) P-C4' energy: -171.612 flat angles C4'-P-C4' energy: -147.941 flat angles P-C4'-P energy: -80.639 tors. eta vs tors. theta energy: -29.334 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: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -944.586297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.586297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.586297 (E_RNA) where: Base-Base interactions energy: -445.080 where: short stacking energy: -341.811 Base-Backbone interact. energy: -3.612 local terms energy: -495.894129 where: bonds (distance) C4'-P energy: -149.719 bonds (distance) P-C4' energy: -157.390 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -57.336 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -853.177999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.177999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.177999 (E_RNA) where: Base-Base interactions energy: -326.534 where: short stacking energy: -277.833 Base-Backbone interact. energy: 3.244 local terms energy: -529.888136 where: bonds (distance) C4'-P energy: -150.047 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -139.968 flat angles P-C4'-P energy: -87.170 tors. eta vs tors. theta energy: 6.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -782.794734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.794734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.794734 (E_RNA) where: Base-Base interactions energy: -276.280 where: short stacking energy: -250.835 Base-Backbone interact. energy: 3.844 local terms energy: -510.358937 where: bonds (distance) C4'-P energy: -158.606 bonds (distance) P-C4' energy: -165.467 flat angles C4'-P-C4' energy: -130.007 flat angles P-C4'-P energy: -76.869 tors. eta vs tors. theta energy: 20.590 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: 1 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2328.884012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.884012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.884012 (E_RNA) where: Base-Base interactions energy: -1399.408 where: short stacking energy: -925.821 Base-Backbone interact. energy: -2.377 local terms energy: -927.099000 where: bonds (distance) C4'-P energy: -174.710 bonds (distance) P-C4' energy: -179.092 flat angles C4'-P-C4' energy: -195.054 flat angles P-C4'-P energy: -149.439 tors. eta vs tors. theta energy: -228.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2106.927484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.927484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.927484 (E_RNA) where: Base-Base interactions energy: -1224.004 where: short stacking energy: -862.802 Base-Backbone interact. energy: -2.463 local terms energy: -880.459800 where: bonds (distance) C4'-P energy: -180.303 bonds (distance) P-C4' energy: -184.241 flat angles C4'-P-C4' energy: -199.847 flat angles P-C4'-P energy: -126.149 tors. eta vs tors. theta energy: -189.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1917.702341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.702341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.702341 (E_RNA) where: Base-Base interactions energy: -1076.958 where: short stacking energy: -790.048 Base-Backbone interact. energy: -2.613 local terms energy: -838.131085 where: bonds (distance) C4'-P energy: -168.522 bonds (distance) P-C4' energy: -152.375 flat angles C4'-P-C4' energy: -198.991 flat angles P-C4'-P energy: -132.913 tors. eta vs tors. theta energy: -185.330 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: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1602.473705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.473705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.473705 (E_RNA) where: Base-Base interactions energy: -872.873 where: short stacking energy: -625.691 Base-Backbone interact. energy: 0.597 local terms energy: -730.197255 where: bonds (distance) C4'-P energy: -149.416 bonds (distance) P-C4' energy: -176.740 flat angles C4'-P-C4' energy: -164.001 flat angles P-C4'-P energy: -109.455 tors. eta vs tors. theta energy: -130.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1458.750111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.750111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.750111 (E_RNA) where: Base-Base interactions energy: -778.328 where: short stacking energy: -566.832 Base-Backbone interact. energy: -2.324 local terms energy: -678.098316 where: bonds (distance) C4'-P energy: -163.428 bonds (distance) P-C4' energy: -156.685 flat angles C4'-P-C4' energy: -163.409 flat angles P-C4'-P energy: -90.504 tors. eta vs tors. theta energy: -104.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1333.758241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.758241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.758241 (E_RNA) where: Base-Base interactions energy: -662.533 where: short stacking energy: -482.849 Base-Backbone interact. energy: 0.736 local terms energy: -671.961122 where: bonds (distance) C4'-P energy: -153.498 bonds (distance) P-C4' energy: -176.982 flat angles C4'-P-C4' energy: -166.014 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: -88.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1052.901491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.901491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.901491 (E_RNA) where: Base-Base interactions energy: -466.454 where: short stacking energy: -387.507 Base-Backbone interact. energy: 0.638 local terms energy: -587.085628 where: bonds (distance) C4'-P energy: -174.710 bonds (distance) P-C4' energy: -161.600 flat angles C4'-P-C4' energy: -122.562 flat angles P-C4'-P energy: -100.018 tors. eta vs tors. theta energy: -28.195 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -942.314415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.314415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.314415 (E_RNA) where: Base-Base interactions energy: -384.780 where: short stacking energy: -335.355 Base-Backbone interact. energy: 0.310 local terms energy: -557.843918 where: bonds (distance) C4'-P energy: -158.732 bonds (distance) P-C4' energy: -152.785 flat angles C4'-P-C4' energy: -139.581 flat angles P-C4'-P energy: -82.576 tors. eta vs tors. theta energy: -24.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -802.011953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.011953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.011953 (E_RNA) where: Base-Base interactions energy: -300.385 where: short stacking energy: -283.918 Base-Backbone interact. energy: 0.861 local terms energy: -502.488828 where: bonds (distance) C4'-P energy: -136.235 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -149.092 flat angles P-C4'-P energy: -82.679 tors. eta vs tors. theta energy: 14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -782.778503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.778503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.778503 (E_RNA) where: Base-Base interactions energy: -306.057 where: short stacking energy: -250.415 Base-Backbone interact. energy: 2.959 local terms energy: -479.679567 where: bonds (distance) C4'-P energy: -150.352 bonds (distance) P-C4' energy: -139.268 flat angles C4'-P-C4' energy: -136.183 flat angles P-C4'-P energy: -93.948 tors. eta vs tors. theta energy: 40.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2314.731981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.731981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.731981 (E_RNA) where: Base-Base interactions energy: -1404.671 where: short stacking energy: -924.885 Base-Backbone interact. energy: -5.369 local terms energy: -904.691905 where: bonds (distance) C4'-P energy: -183.140 bonds (distance) P-C4' energy: -177.233 flat angles C4'-P-C4' energy: -209.569 flat angles P-C4'-P energy: -117.000 tors. eta vs tors. theta energy: -217.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2169.771838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.771838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.771838 (E_RNA) where: Base-Base interactions energy: -1287.625 where: short stacking energy: -857.728 Base-Backbone interact. energy: -7.124 local terms energy: -875.022841 where: bonds (distance) C4'-P energy: -162.977 bonds (distance) P-C4' energy: -196.839 flat angles C4'-P-C4' energy: -195.762 flat angles P-C4'-P energy: -110.047 tors. eta vs tors. theta energy: -209.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1845.926461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.926461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.926461 (E_RNA) where: Base-Base interactions energy: -1031.334 where: short stacking energy: -728.636 Base-Backbone interact. energy: -2.479 local terms energy: -812.113311 where: bonds (distance) C4'-P energy: -164.249 bonds (distance) P-C4' energy: -172.414 flat angles C4'-P-C4' energy: -202.444 flat angles P-C4'-P energy: -109.801 tors. eta vs tors. theta energy: -163.204 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: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1689.788327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.788327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.788327 (E_RNA) where: Base-Base interactions energy: -938.711 where: short stacking energy: -664.193 Base-Backbone interact. energy: 0.161 local terms energy: -751.238982 where: bonds (distance) C4'-P energy: -161.248 bonds (distance) P-C4' energy: -157.098 flat angles C4'-P-C4' energy: -180.754 flat angles P-C4'-P energy: -114.998 tors. eta vs tors. theta energy: -137.141 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: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1507.950778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.950778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.950778 (E_RNA) where: Base-Base interactions energy: -800.380 where: short stacking energy: -580.641 Base-Backbone interact. energy: 2.463 local terms energy: -710.033157 where: bonds (distance) C4'-P energy: -162.845 bonds (distance) P-C4' energy: -173.325 flat angles C4'-P-C4' energy: -157.914 flat angles P-C4'-P energy: -99.622 tors. eta vs tors. theta energy: -116.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1269.900697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.900697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.900697 (E_RNA) where: Base-Base interactions energy: -660.417 where: short stacking energy: -484.235 Base-Backbone interact. energy: 6.230 local terms energy: -615.714183 where: bonds (distance) C4'-P energy: -151.973 bonds (distance) P-C4' energy: -176.628 flat angles C4'-P-C4' energy: -139.577 flat angles P-C4'-P energy: -82.015 tors. eta vs tors. theta energy: -65.520 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: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1079.795266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.795266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.795266 (E_RNA) where: Base-Base interactions energy: -497.399 where: short stacking energy: -411.967 Base-Backbone interact. energy: -2.174 local terms energy: -580.222314 where: bonds (distance) C4'-P energy: -157.827 bonds (distance) P-C4' energy: -179.220 flat angles C4'-P-C4' energy: -145.621 flat angles P-C4'-P energy: -70.228 tors. eta vs tors. theta energy: -27.325 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: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -872.546792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.546792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.546792 (E_RNA) where: Base-Base interactions energy: -316.443 where: short stacking energy: -282.935 Base-Backbone interact. energy: 4.498 local terms energy: -560.601196 where: bonds (distance) C4'-P energy: -161.984 bonds (distance) P-C4' energy: -179.014 flat angles C4'-P-C4' energy: -118.369 flat angles P-C4'-P energy: -85.754 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -821.320437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.320437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.320437 (E_RNA) where: Base-Base interactions energy: -353.099 where: short stacking energy: -316.858 Base-Backbone interact. energy: -2.341 local terms energy: -465.880114 where: bonds (distance) C4'-P energy: -144.618 bonds (distance) P-C4' energy: -157.457 flat angles C4'-P-C4' energy: -120.250 flat angles P-C4'-P energy: -72.636 tors. eta vs tors. theta energy: 29.081 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -799.961173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.961173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.961173 (E_RNA) where: Base-Base interactions energy: -347.484 where: short stacking energy: -298.379 Base-Backbone interact. energy: 3.127 local terms energy: -455.604471 where: bonds (distance) C4'-P energy: -120.028 bonds (distance) P-C4' energy: -144.470 flat angles C4'-P-C4' energy: -123.572 flat angles P-C4'-P energy: -91.896 tors. eta vs tors. theta energy: 24.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2310.750852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.750852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.750852 (E_RNA) where: Base-Base interactions energy: -1373.381 where: short stacking energy: -908.264 Base-Backbone interact. energy: -0.732 local terms energy: -936.637921 where: bonds (distance) C4'-P energy: -169.296 bonds (distance) P-C4' energy: -193.609 flat angles C4'-P-C4' energy: -212.420 flat angles P-C4'-P energy: -135.591 tors. eta vs tors. theta energy: -225.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2135.183567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.183567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.183567 (E_RNA) where: Base-Base interactions energy: -1254.745 where: short stacking energy: -842.504 Base-Backbone interact. energy: -0.572 local terms energy: -879.867040 where: bonds (distance) C4'-P energy: -173.868 bonds (distance) P-C4' energy: -170.731 flat angles C4'-P-C4' energy: -198.725 flat angles P-C4'-P energy: -139.961 tors. eta vs tors. theta energy: -196.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1867.400618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.400618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.400618 (E_RNA) where: Base-Base interactions energy: -1053.454 where: short stacking energy: -741.946 Base-Backbone interact. energy: -3.119 local terms energy: -810.827408 where: bonds (distance) C4'-P energy: -160.972 bonds (distance) P-C4' energy: -182.942 flat angles C4'-P-C4' energy: -194.504 flat angles P-C4'-P energy: -114.269 tors. eta vs tors. theta energy: -158.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1788.331205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.331205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.331205 (E_RNA) where: Base-Base interactions energy: -950.565 where: short stacking energy: -651.092 Base-Backbone interact. energy: 2.829 local terms energy: -840.595740 where: bonds (distance) C4'-P energy: -182.540 bonds (distance) P-C4' energy: -189.205 flat angles C4'-P-C4' energy: -195.104 flat angles P-C4'-P energy: -122.080 tors. eta vs tors. theta energy: -151.667 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: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1505.973848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.973848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.973848 (E_RNA) where: Base-Base interactions energy: -802.671 where: short stacking energy: -531.137 Base-Backbone interact. energy: -2.339 local terms energy: -700.963753 where: bonds (distance) C4'-P energy: -177.861 bonds (distance) P-C4' energy: -169.997 flat angles C4'-P-C4' energy: -176.073 flat angles P-C4'-P energy: -98.661 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: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1392.990015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.990015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.990015 (E_RNA) where: Base-Base interactions energy: -729.528 where: short stacking energy: -503.556 Base-Backbone interact. energy: -4.779 local terms energy: -658.682502 where: bonds (distance) C4'-P energy: -162.298 bonds (distance) P-C4' energy: -165.548 flat angles C4'-P-C4' energy: -145.057 flat angles P-C4'-P energy: -105.999 tors. eta vs tors. theta energy: -79.781 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: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1087.915275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.915275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.915275 (E_RNA) where: Base-Base interactions energy: -505.477 where: short stacking energy: -401.874 Base-Backbone interact. energy: -0.095 local terms energy: -582.343001 where: bonds (distance) C4'-P energy: -126.926 bonds (distance) P-C4' energy: -184.966 flat angles C4'-P-C4' energy: -146.040 flat angles P-C4'-P energy: -80.548 tors. eta vs tors. theta energy: -43.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -931.690177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.690177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.690177 (E_RNA) where: Base-Base interactions energy: -396.876 where: short stacking energy: -339.510 Base-Backbone interact. energy: -0.819 local terms energy: -533.995121 where: bonds (distance) C4'-P energy: -152.867 bonds (distance) P-C4' energy: -160.528 flat angles C4'-P-C4' energy: -134.854 flat angles P-C4'-P energy: -81.118 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -823.205855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.205855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.205855 (E_RNA) where: Base-Base interactions energy: -333.660 where: short stacking energy: -265.930 Base-Backbone interact. energy: 7.961 local terms energy: -497.506653 where: bonds (distance) C4'-P energy: -149.827 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -144.755 flat angles P-C4'-P energy: -80.169 tors. eta vs tors. theta energy: 36.799 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: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -734.965733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.965733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.965733 (E_RNA) where: Base-Base interactions energy: -257.476 where: short stacking energy: -233.089 Base-Backbone interact. energy: 2.282 local terms energy: -479.772263 where: bonds (distance) C4'-P energy: -143.636 bonds (distance) P-C4' energy: -164.739 flat angles C4'-P-C4' energy: -125.809 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: 25.937 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: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2309.500360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.500360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.500360 (E_RNA) where: Base-Base interactions energy: -1395.760 where: short stacking energy: -901.487 Base-Backbone interact. energy: -2.063 local terms energy: -911.677912 where: bonds (distance) C4'-P energy: -178.924 bonds (distance) P-C4' energy: -194.066 flat angles C4'-P-C4' energy: -202.136 flat angles P-C4'-P energy: -129.384 tors. eta vs tors. theta energy: -207.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2159.573805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.573805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.573805 (E_RNA) where: Base-Base interactions energy: -1274.804 where: short stacking energy: -871.918 Base-Backbone interact. energy: -3.161 local terms energy: -881.608962 where: bonds (distance) C4'-P energy: -176.088 bonds (distance) P-C4' energy: -185.345 flat angles C4'-P-C4' energy: -189.592 flat angles P-C4'-P energy: -141.696 tors. eta vs tors. theta energy: -188.888 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: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1875.999855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.999855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.999855 (E_RNA) where: Base-Base interactions energy: -1073.502 where: short stacking energy: -783.168 Base-Backbone interact. energy: 1.099 local terms energy: -803.596770 where: bonds (distance) C4'-P energy: -155.751 bonds (distance) P-C4' energy: -165.040 flat angles C4'-P-C4' energy: -175.438 flat angles P-C4'-P energy: -126.862 tors. eta vs tors. theta energy: -180.506 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1789.002094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.002094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.002094 (E_RNA) where: Base-Base interactions energy: -1006.756 where: short stacking energy: -694.372 Base-Backbone interact. energy: -0.414 local terms energy: -781.831429 where: bonds (distance) C4'-P energy: -179.176 bonds (distance) P-C4' energy: -166.729 flat angles C4'-P-C4' energy: -188.915 flat angles P-C4'-P energy: -104.075 tors. eta vs tors. theta energy: -142.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1510.446884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.446884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.446884 (E_RNA) where: Base-Base interactions energy: -820.053 where: short stacking energy: -544.458 Base-Backbone interact. energy: 6.820 local terms energy: -697.213072 where: bonds (distance) C4'-P energy: -149.034 bonds (distance) P-C4' energy: -163.544 flat angles C4'-P-C4' energy: -180.661 flat angles P-C4'-P energy: -120.524 tors. eta vs tors. theta energy: -83.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1393.932310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.932310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.932310 (E_RNA) where: Base-Base interactions energy: -753.421 where: short stacking energy: -507.558 Base-Backbone interact. energy: -0.235 local terms energy: -640.276121 where: bonds (distance) C4'-P energy: -144.386 bonds (distance) P-C4' energy: -156.185 flat angles C4'-P-C4' energy: -164.482 flat angles P-C4'-P energy: -114.372 tors. eta vs tors. theta energy: -60.852 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: 7, replica: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1141.545796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.545796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.545796 (E_RNA) where: Base-Base interactions energy: -578.306 where: short stacking energy: -434.603 Base-Backbone interact. energy: 6.854 local terms energy: -570.093700 where: bonds (distance) C4'-P energy: -140.729 bonds (distance) P-C4' energy: -146.858 flat angles C4'-P-C4' energy: -127.268 flat angles P-C4'-P energy: -106.103 tors. eta vs tors. theta energy: -49.135 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: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1013.985034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.985034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.985034 (E_RNA) where: Base-Base interactions energy: -458.837 where: short stacking energy: -375.576 Base-Backbone interact. energy: 9.543 local terms energy: -564.690775 where: bonds (distance) C4'-P energy: -148.320 bonds (distance) P-C4' energy: -151.511 flat angles C4'-P-C4' energy: -139.813 flat angles P-C4'-P energy: -98.170 tors. eta vs tors. theta energy: -26.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -856.678182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.678182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.678182 (E_RNA) where: Base-Base interactions energy: -337.866 where: short stacking energy: -301.465 Base-Backbone interact. energy: -0.021 local terms energy: -518.790836 where: bonds (distance) C4'-P energy: -147.172 bonds (distance) P-C4' energy: -161.777 flat angles C4'-P-C4' energy: -138.786 flat angles P-C4'-P energy: -65.938 tors. eta vs tors. theta energy: -5.119 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: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -785.639070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.639070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.639070 (E_RNA) where: Base-Base interactions energy: -319.497 where: short stacking energy: -280.773 Base-Backbone interact. energy: 2.595 local terms energy: -468.736917 where: bonds (distance) C4'-P energy: -149.085 bonds (distance) P-C4' energy: -160.257 flat angles C4'-P-C4' energy: -112.679 flat angles P-C4'-P energy: -79.356 tors. eta vs tors. theta energy: 32.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2268.534287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.534287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.534287 (E_RNA) where: Base-Base interactions energy: -1386.015 where: short stacking energy: -924.432 Base-Backbone interact. energy: -2.650 local terms energy: -879.869192 where: bonds (distance) C4'-P energy: -170.168 bonds (distance) P-C4' energy: -180.054 flat angles C4'-P-C4' energy: -182.097 flat angles P-C4'-P energy: -125.601 tors. eta vs tors. theta energy: -221.949 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: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2121.600302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.600302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.600302 (E_RNA) where: Base-Base interactions energy: -1287.189 where: short stacking energy: -814.076 Base-Backbone interact. energy: -4.855 local terms energy: -829.556204 where: bonds (distance) C4'-P energy: -181.041 bonds (distance) P-C4' energy: -165.045 flat angles C4'-P-C4' energy: -186.248 flat angles P-C4'-P energy: -116.811 tors. eta vs tors. theta energy: -180.412 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: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1923.632568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.632568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.632568 (E_RNA) where: Base-Base interactions energy: -1088.243 where: short stacking energy: -807.020 Base-Backbone interact. energy: -2.014 local terms energy: -833.375918 where: bonds (distance) C4'-P energy: -155.138 bonds (distance) P-C4' energy: -166.823 flat angles C4'-P-C4' energy: -189.668 flat angles P-C4'-P energy: -118.165 tors. eta vs tors. theta energy: -203.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1833.668029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.668029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.668029 (E_RNA) where: Base-Base interactions energy: -1023.673 where: short stacking energy: -699.329 Base-Backbone interact. energy: -3.243 local terms energy: -806.751515 where: bonds (distance) C4'-P energy: -171.972 bonds (distance) P-C4' energy: -179.041 flat angles C4'-P-C4' energy: -175.793 flat angles P-C4'-P energy: -106.460 tors. eta vs tors. theta energy: -173.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1563.082603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.082603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.082603 (E_RNA) where: Base-Base interactions energy: -869.265 where: short stacking energy: -595.794 Base-Backbone interact. energy: -2.812 local terms energy: -691.006103 where: bonds (distance) C4'-P energy: -154.850 bonds (distance) P-C4' energy: -194.385 flat angles C4'-P-C4' energy: -152.637 flat angles P-C4'-P energy: -92.834 tors. eta vs tors. theta energy: -96.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1464.708472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.708472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.708472 (E_RNA) where: Base-Base interactions energy: -798.818 where: short stacking energy: -548.082 Base-Backbone interact. energy: -1.049 local terms energy: -664.841044 where: bonds (distance) C4'-P energy: -144.791 bonds (distance) P-C4' energy: -169.986 flat angles C4'-P-C4' energy: -156.403 flat angles P-C4'-P energy: -89.551 tors. eta vs tors. theta energy: -104.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1036.105578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.105578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.105578 (E_RNA) where: Base-Base interactions energy: -478.265 where: short stacking energy: -387.994 Base-Backbone interact. energy: -1.193 local terms energy: -556.647462 where: bonds (distance) C4'-P energy: -152.850 bonds (distance) P-C4' energy: -152.368 flat angles C4'-P-C4' energy: -152.196 flat angles P-C4'-P energy: -87.247 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -944.132708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.132708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.132708 (E_RNA) where: Base-Base interactions energy: -365.411 where: short stacking energy: -294.753 Base-Backbone interact. energy: 1.487 local terms energy: -580.209114 where: bonds (distance) C4'-P energy: -164.602 bonds (distance) P-C4' energy: -158.464 flat angles C4'-P-C4' energy: -147.121 flat angles P-C4'-P energy: -89.267 tors. eta vs tors. theta energy: -20.755 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: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -869.759276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.759276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.759276 (E_RNA) where: Base-Base interactions energy: -345.552 where: short stacking energy: -278.954 Base-Backbone interact. energy: -3.676 local terms energy: -520.531495 where: bonds (distance) C4'-P energy: -147.194 bonds (distance) P-C4' energy: -167.910 flat angles C4'-P-C4' energy: -114.073 flat angles P-C4'-P energy: -92.727 tors. eta vs tors. theta energy: 1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -723.097362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.097362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.097362 (E_RNA) where: Base-Base interactions energy: -270.646 where: short stacking energy: -245.347 Base-Backbone interact. energy: -4.339 local terms energy: -448.112851 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -129.079 flat angles C4'-P-C4' energy: -120.199 flat angles P-C4'-P energy: -85.437 tors. eta vs tors. theta energy: 32.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2330.977901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.977901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.977901 (E_RNA) where: Base-Base interactions energy: -1379.801 where: short stacking energy: -915.857 Base-Backbone interact. energy: -3.316 local terms energy: -947.860533 where: bonds (distance) C4'-P energy: -185.523 bonds (distance) P-C4' energy: -195.802 flat angles C4'-P-C4' energy: -207.369 flat angles P-C4'-P energy: -145.015 tors. eta vs tors. theta energy: -214.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2167.956253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.956253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.956253 (E_RNA) where: Base-Base interactions energy: -1284.550 where: short stacking energy: -871.276 Base-Backbone interact. energy: -0.145 local terms energy: -883.261820 where: bonds (distance) C4'-P energy: -162.333 bonds (distance) P-C4' energy: -183.054 flat angles C4'-P-C4' energy: -196.594 flat angles P-C4'-P energy: -126.141 tors. eta vs tors. theta energy: -215.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1894.275874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.275874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.275874 (E_RNA) where: Base-Base interactions energy: -1083.563 where: short stacking energy: -733.911 Base-Backbone interact. energy: -1.323 local terms energy: -809.389892 where: bonds (distance) C4'-P energy: -166.827 bonds (distance) P-C4' energy: -176.684 flat angles C4'-P-C4' energy: -182.893 flat angles P-C4'-P energy: -111.108 tors. eta vs tors. theta energy: -171.879 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: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1746.675298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.675298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.675298 (E_RNA) where: Base-Base interactions energy: -990.503 where: short stacking energy: -662.435 Base-Backbone interact. energy: -0.682 local terms energy: -755.490552 where: bonds (distance) C4'-P energy: -146.499 bonds (distance) P-C4' energy: -177.761 flat angles C4'-P-C4' energy: -179.037 flat angles P-C4'-P energy: -115.633 tors. eta vs tors. theta energy: -136.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1536.145543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.145543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.145543 (E_RNA) where: Base-Base interactions energy: -838.417 where: short stacking energy: -627.286 Base-Backbone interact. energy: -0.512 local terms energy: -697.216855 where: bonds (distance) C4'-P energy: -160.304 bonds (distance) P-C4' energy: -165.318 flat angles C4'-P-C4' energy: -158.004 flat angles P-C4'-P energy: -93.400 tors. eta vs tors. theta energy: -120.190 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: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1394.790737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.790737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.790737 (E_RNA) where: Base-Base interactions energy: -721.048 where: short stacking energy: -492.314 Base-Backbone interact. energy: -1.600 local terms energy: -672.142200 where: bonds (distance) C4'-P energy: -158.094 bonds (distance) P-C4' energy: -165.827 flat angles C4'-P-C4' energy: -168.241 flat angles P-C4'-P energy: -104.884 tors. eta vs tors. theta energy: -75.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1068.748194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.748194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.748194 (E_RNA) where: Base-Base interactions energy: -483.707 where: short stacking energy: -400.238 Base-Backbone interact. energy: -0.851 local terms energy: -584.190216 where: bonds (distance) C4'-P energy: -139.447 bonds (distance) P-C4' energy: -168.544 flat angles C4'-P-C4' energy: -151.350 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -46.577 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: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -904.674733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.674733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.674733 (E_RNA) where: Base-Base interactions energy: -369.980 where: short stacking energy: -323.892 Base-Backbone interact. energy: 2.921 local terms energy: -537.615879 where: bonds (distance) C4'-P energy: -138.417 bonds (distance) P-C4' energy: -165.004 flat angles C4'-P-C4' energy: -134.019 flat angles P-C4'-P energy: -85.759 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -885.647996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.647996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.647996 (E_RNA) where: Base-Base interactions energy: -387.741 where: short stacking energy: -312.255 Base-Backbone interact. energy: -4.484 local terms energy: -493.422987 where: bonds (distance) C4'-P energy: -143.405 bonds (distance) P-C4' energy: -139.293 flat angles C4'-P-C4' energy: -115.736 flat angles P-C4'-P energy: -96.302 tors. eta vs tors. theta energy: 1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -764.859317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.859317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.859317 (E_RNA) where: Base-Base interactions energy: -287.691 where: short stacking energy: -236.938 Base-Backbone interact. energy: 2.592 local terms energy: -479.760246 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -162.331 flat angles C4'-P-C4' energy: -125.106 flat angles P-C4'-P energy: -85.768 tors. eta vs tors. theta energy: 23.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2336.566939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.566939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.566939 (E_RNA) where: Base-Base interactions energy: -1385.198 where: short stacking energy: -923.019 Base-Backbone interact. energy: -4.018 local terms energy: -947.350440 where: bonds (distance) C4'-P energy: -192.872 bonds (distance) P-C4' energy: -180.789 flat angles C4'-P-C4' energy: -210.382 flat angles P-C4'-P energy: -129.737 tors. eta vs tors. theta energy: -233.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2176.136030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.136030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.136030 (E_RNA) where: Base-Base interactions energy: -1287.209 where: short stacking energy: -873.154 Base-Backbone interact. energy: -6.655 local terms energy: -882.271768 where: bonds (distance) C4'-P energy: -169.013 bonds (distance) P-C4' energy: -190.046 flat angles C4'-P-C4' energy: -185.657 flat angles P-C4'-P energy: -125.096 tors. eta vs tors. theta energy: -212.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1968.507357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.507357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.507357 (E_RNA) where: Base-Base interactions energy: -1130.521 where: short stacking energy: -785.737 Base-Backbone interact. energy: -2.341 local terms energy: -835.645563 where: bonds (distance) C4'-P energy: -169.763 bonds (distance) P-C4' energy: -180.987 flat angles C4'-P-C4' energy: -187.515 flat angles P-C4'-P energy: -111.932 tors. eta vs tors. theta energy: -185.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1789.085713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.085713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.085713 (E_RNA) where: Base-Base interactions energy: -1011.544 where: short stacking energy: -713.224 Base-Backbone interact. energy: -5.966 local terms energy: -771.575280 where: bonds (distance) C4'-P energy: -166.718 bonds (distance) P-C4' energy: -171.207 flat angles C4'-P-C4' energy: -181.740 flat angles P-C4'-P energy: -105.114 tors. eta vs tors. theta energy: -146.797 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: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1486.881816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.881816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.881816 (E_RNA) where: Base-Base interactions energy: -840.717 where: short stacking energy: -563.049 Base-Backbone interact. energy: 3.703 local terms energy: -649.868593 where: bonds (distance) C4'-P energy: -174.273 bonds (distance) P-C4' energy: -167.792 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -82.956 tors. eta vs tors. theta energy: -75.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1366.327965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.327965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.327965 (E_RNA) where: Base-Base interactions energy: -709.718 where: short stacking energy: -484.280 Base-Backbone interact. energy: -1.921 local terms energy: -654.689134 where: bonds (distance) C4'-P energy: -152.314 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -163.850 flat angles P-C4'-P energy: -100.649 tors. eta vs tors. theta energy: -71.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1075.224246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.224246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.224246 (E_RNA) where: Base-Base interactions energy: -490.651 where: short stacking energy: -394.114 Base-Backbone interact. energy: -1.016 local terms energy: -583.556781 where: bonds (distance) C4'-P energy: -160.776 bonds (distance) P-C4' energy: -169.069 flat angles C4'-P-C4' energy: -137.036 flat angles P-C4'-P energy: -91.097 tors. eta vs tors. theta energy: -25.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -887.667159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.667159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.667159 (E_RNA) where: Base-Base interactions energy: -369.580 where: short stacking energy: -330.046 Base-Backbone interact. energy: 4.648 local terms energy: -522.736101 where: bonds (distance) C4'-P energy: -156.574 bonds (distance) P-C4' energy: -150.860 flat angles C4'-P-C4' energy: -142.804 flat angles P-C4'-P energy: -74.877 tors. eta vs tors. theta energy: 2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -797.022551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.022551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.022551 (E_RNA) where: Base-Base interactions energy: -306.797 where: short stacking energy: -271.564 Base-Backbone interact. energy: -0.363 local terms energy: -489.862145 where: bonds (distance) C4'-P energy: -149.069 bonds (distance) P-C4' energy: -157.901 flat angles C4'-P-C4' energy: -125.598 flat angles P-C4'-P energy: -68.107 tors. eta vs tors. theta energy: 10.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -745.602077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.602077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.602077 (E_RNA) where: Base-Base interactions energy: -311.568 where: short stacking energy: -269.830 Base-Backbone interact. energy: -3.037 local terms energy: -430.996741 where: bonds (distance) C4'-P energy: -170.106 bonds (distance) P-C4' energy: -133.848 flat angles C4'-P-C4' energy: -112.047 flat angles P-C4'-P energy: -33.013 tors. eta vs tors. theta energy: 18.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2338.924635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.924635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.924635 (E_RNA) where: Base-Base interactions energy: -1416.647 where: short stacking energy: -934.590 Base-Backbone interact. energy: -3.126 local terms energy: -919.152004 where: bonds (distance) C4'-P energy: -178.069 bonds (distance) P-C4' energy: -173.071 flat angles C4'-P-C4' energy: -203.874 flat angles P-C4'-P energy: -131.185 tors. eta vs tors. theta energy: -232.953 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: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2087.817100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.817100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.817100 (E_RNA) where: Base-Base interactions energy: -1227.399 where: short stacking energy: -818.644 Base-Backbone interact. energy: -5.190 local terms energy: -855.227758 where: bonds (distance) C4'-P energy: -159.849 bonds (distance) P-C4' energy: -180.632 flat angles C4'-P-C4' energy: -196.447 flat angles P-C4'-P energy: -120.768 tors. eta vs tors. theta energy: -197.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1896.734445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.734445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.734445 (E_RNA) where: Base-Base interactions energy: -1040.932 where: short stacking energy: -747.202 Base-Backbone interact. energy: -1.041 local terms energy: -854.761629 where: bonds (distance) C4'-P energy: -181.027 bonds (distance) P-C4' energy: -183.879 flat angles C4'-P-C4' energy: -183.261 flat angles P-C4'-P energy: -123.933 tors. eta vs tors. theta energy: -182.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1756.314939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.314939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.314939 (E_RNA) where: Base-Base interactions energy: -1021.902 where: short stacking energy: -722.060 Base-Backbone interact. energy: 1.881 local terms energy: -736.293736 where: bonds (distance) C4'-P energy: -153.091 bonds (distance) P-C4' energy: -167.010 flat angles C4'-P-C4' energy: -174.507 flat angles P-C4'-P energy: -99.387 tors. eta vs tors. theta energy: -142.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1572.877491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.877491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.877491 (E_RNA) where: Base-Base interactions energy: -870.931 where: short stacking energy: -577.470 Base-Backbone interact. energy: 0.237 local terms energy: -702.183288 where: bonds (distance) C4'-P energy: -165.874 bonds (distance) P-C4' energy: -149.526 flat angles C4'-P-C4' energy: -177.338 flat angles P-C4'-P energy: -110.684 tors. eta vs tors. theta energy: -98.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1376.075376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.075376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.075376 (E_RNA) where: Base-Base interactions energy: -736.262 where: short stacking energy: -496.807 Base-Backbone interact. energy: -2.780 local terms energy: -637.033939 where: bonds (distance) C4'-P energy: -156.579 bonds (distance) P-C4' energy: -169.435 flat angles C4'-P-C4' energy: -168.922 flat angles P-C4'-P energy: -92.788 tors. eta vs tors. theta energy: -49.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1100.834118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.834118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.834118 (E_RNA) where: Base-Base interactions energy: -530.904 where: short stacking energy: -415.813 Base-Backbone interact. energy: 0.190 local terms energy: -570.120173 where: bonds (distance) C4'-P energy: -161.443 bonds (distance) P-C4' energy: -145.834 flat angles C4'-P-C4' energy: -151.134 flat angles P-C4'-P energy: -83.111 tors. eta vs tors. theta energy: -28.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -954.851588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.851588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.851588 (E_RNA) where: Base-Base interactions energy: -395.576 where: short stacking energy: -346.229 Base-Backbone interact. energy: 1.112 local terms energy: -560.388158 where: bonds (distance) C4'-P energy: -129.224 bonds (distance) P-C4' energy: -154.105 flat angles C4'-P-C4' energy: -142.948 flat angles P-C4'-P energy: -113.200 tors. eta vs tors. theta energy: -20.912 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: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -827.595260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.595260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.595260 (E_RNA) where: Base-Base interactions energy: -334.082 where: short stacking energy: -295.201 Base-Backbone interact. energy: 7.170 local terms energy: -500.683117 where: bonds (distance) C4'-P energy: -139.043 bonds (distance) P-C4' energy: -156.203 flat angles C4'-P-C4' energy: -131.205 flat angles P-C4'-P energy: -86.444 tors. eta vs tors. theta energy: 12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -754.838919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.838919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.838919 (E_RNA) where: Base-Base interactions energy: -331.684 where: short stacking energy: -253.128 Base-Backbone interact. energy: 3.595 local terms energy: -426.749615 where: bonds (distance) C4'-P energy: -134.198 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -144.330 flat angles P-C4'-P energy: -30.113 tors. eta vs tors. theta energy: 33.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2258.848324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.848324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.848324 (E_RNA) where: Base-Base interactions energy: -1359.051 where: short stacking energy: -883.472 Base-Backbone interact. energy: 1.241 local terms energy: -901.037405 where: bonds (distance) C4'-P energy: -168.589 bonds (distance) P-C4' energy: -186.429 flat angles C4'-P-C4' energy: -207.209 flat angles P-C4'-P energy: -134.398 tors. eta vs tors. theta energy: -204.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2108.071221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.071221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.071221 (E_RNA) where: Base-Base interactions energy: -1241.700 where: short stacking energy: -820.321 Base-Backbone interact. energy: -3.441 local terms energy: -862.929772 where: bonds (distance) C4'-P energy: -178.548 bonds (distance) P-C4' energy: -171.074 flat angles C4'-P-C4' energy: -190.492 flat angles P-C4'-P energy: -124.208 tors. eta vs tors. theta energy: -198.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1903.241568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.241568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.241568 (E_RNA) where: Base-Base interactions energy: -1079.353 where: short stacking energy: -740.674 Base-Backbone interact. energy: -2.683 local terms energy: -821.205579 where: bonds (distance) C4'-P energy: -169.100 bonds (distance) P-C4' energy: -173.022 flat angles C4'-P-C4' energy: -196.475 flat angles P-C4'-P energy: -122.496 tors. eta vs tors. theta energy: -160.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1777.401181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.401181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.401181 (E_RNA) where: Base-Base interactions energy: -997.016 where: short stacking energy: -704.158 Base-Backbone interact. energy: -0.254 local terms energy: -780.131016 where: bonds (distance) C4'-P energy: -164.161 bonds (distance) P-C4' energy: -166.496 flat angles C4'-P-C4' energy: -176.115 flat angles P-C4'-P energy: -124.552 tors. eta vs tors. theta energy: -148.807 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: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1549.785295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.785295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.785295 (E_RNA) where: Base-Base interactions energy: -877.711 where: short stacking energy: -573.843 Base-Backbone interact. energy: -3.931 local terms energy: -668.143261 where: bonds (distance) C4'-P energy: -148.284 bonds (distance) P-C4' energy: -159.386 flat angles C4'-P-C4' energy: -155.891 flat angles P-C4'-P energy: -100.353 tors. eta vs tors. theta energy: -104.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1359.098926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.098926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.098926 (E_RNA) where: Base-Base interactions energy: -713.905 where: short stacking energy: -506.472 Base-Backbone interact. energy: -4.920 local terms energy: -640.274128 where: bonds (distance) C4'-P energy: -161.740 bonds (distance) P-C4' energy: -176.919 flat angles C4'-P-C4' energy: -141.852 flat angles P-C4'-P energy: -81.435 tors. eta vs tors. theta energy: -78.328 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: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1126.120044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.120044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.120044 (E_RNA) where: Base-Base interactions energy: -528.324 where: short stacking energy: -441.698 Base-Backbone interact. energy: -2.928 local terms energy: -594.868741 where: bonds (distance) C4'-P energy: -147.172 bonds (distance) P-C4' energy: -165.003 flat angles C4'-P-C4' energy: -151.343 flat angles P-C4'-P energy: -80.236 tors. eta vs tors. theta energy: -51.115 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: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1055.507045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.507045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.507045 (E_RNA) where: Base-Base interactions energy: -495.622 where: short stacking energy: -379.075 Base-Backbone interact. energy: -0.807 local terms energy: -559.077967 where: bonds (distance) C4'-P energy: -159.909 bonds (distance) P-C4' energy: -141.839 flat angles C4'-P-C4' energy: -138.075 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -43.407 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: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -801.369189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.369189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.369189 (E_RNA) where: Base-Base interactions energy: -304.026 where: short stacking energy: -280.835 Base-Backbone interact. energy: -2.076 local terms energy: -495.266922 where: bonds (distance) C4'-P energy: -157.222 bonds (distance) P-C4' energy: -152.416 flat angles C4'-P-C4' energy: -120.303 flat angles P-C4'-P energy: -80.254 tors. eta vs tors. theta energy: 14.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -778.163834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.163834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.163834 (E_RNA) where: Base-Base interactions energy: -303.064 where: short stacking energy: -259.990 Base-Backbone interact. energy: 2.299 local terms energy: -477.399246 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -160.394 flat angles C4'-P-C4' energy: -132.948 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: 18.740 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: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2276.875104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.875104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.875104 (E_RNA) where: Base-Base interactions energy: -1362.003 where: short stacking energy: -880.511 Base-Backbone interact. energy: -3.342 local terms energy: -911.529213 where: bonds (distance) C4'-P energy: -179.131 bonds (distance) P-C4' energy: -196.176 flat angles C4'-P-C4' energy: -204.467 flat angles P-C4'-P energy: -116.659 tors. eta vs tors. theta energy: -215.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2145.729837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.729837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.729837 (E_RNA) where: Base-Base interactions energy: -1238.831 where: short stacking energy: -858.548 Base-Backbone interact. energy: -1.701 local terms energy: -905.197826 where: bonds (distance) C4'-P energy: -169.226 bonds (distance) P-C4' energy: -198.231 flat angles C4'-P-C4' energy: -191.398 flat angles P-C4'-P energy: -142.007 tors. eta vs tors. theta energy: -204.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1954.375859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.375859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.375859 (E_RNA) where: Base-Base interactions energy: -1110.169 where: short stacking energy: -775.143 Base-Backbone interact. energy: -3.836 local terms energy: -840.370486 where: bonds (distance) C4'-P energy: -178.203 bonds (distance) P-C4' energy: -164.333 flat angles C4'-P-C4' energy: -178.332 flat angles P-C4'-P energy: -126.796 tors. eta vs tors. theta energy: -192.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1697.659665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.659665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.659665 (E_RNA) where: Base-Base interactions energy: -973.516 where: short stacking energy: -653.337 Base-Backbone interact. energy: -3.009 local terms energy: -721.134518 where: bonds (distance) C4'-P energy: -146.756 bonds (distance) P-C4' energy: -184.999 flat angles C4'-P-C4' energy: -171.075 flat angles P-C4'-P energy: -99.056 tors. eta vs tors. theta energy: -119.248 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: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1600.187393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.187393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.187393 (E_RNA) where: Base-Base interactions energy: -894.364 where: short stacking energy: -559.895 Base-Backbone interact. energy: -2.504 local terms energy: -703.319656 where: bonds (distance) C4'-P energy: -157.450 bonds (distance) P-C4' energy: -169.686 flat angles C4'-P-C4' energy: -170.742 flat angles P-C4'-P energy: -120.089 tors. eta vs tors. theta energy: -85.353 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: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1422.180237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.180237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.180237 (E_RNA) where: Base-Base interactions energy: -788.120 where: short stacking energy: -550.429 Base-Backbone interact. energy: 2.052 local terms energy: -636.112569 where: bonds (distance) C4'-P energy: -157.507 bonds (distance) P-C4' energy: -162.468 flat angles C4'-P-C4' energy: -153.209 flat angles P-C4'-P energy: -84.620 tors. eta vs tors. theta energy: -78.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1101.130704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.130704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.130704 (E_RNA) where: Base-Base interactions energy: -541.490 where: short stacking energy: -424.610 Base-Backbone interact. energy: -0.669 local terms energy: -558.971735 where: bonds (distance) C4'-P energy: -143.475 bonds (distance) P-C4' energy: -133.299 flat angles C4'-P-C4' energy: -151.107 flat angles P-C4'-P energy: -80.415 tors. eta vs tors. theta energy: -50.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1035.827338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.827338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.827338 (E_RNA) where: Base-Base interactions energy: -464.282 where: short stacking energy: -362.530 Base-Backbone interact. energy: 0.835 local terms energy: -572.379807 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -156.583 flat angles C4'-P-C4' energy: -141.654 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -34.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -817.461884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.461884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.461884 (E_RNA) where: Base-Base interactions energy: -354.839 where: short stacking energy: -305.564 Base-Backbone interact. energy: 3.524 local terms energy: -466.146972 where: bonds (distance) C4'-P energy: -130.164 bonds (distance) P-C4' energy: -155.103 flat angles C4'-P-C4' energy: -134.153 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: 21.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -785.030859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.030859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.030859 (E_RNA) where: Base-Base interactions energy: -304.978 where: short stacking energy: -256.011 Base-Backbone interact. energy: -3.395 local terms energy: -476.657997 where: bonds (distance) C4'-P energy: -139.437 bonds (distance) P-C4' energy: -141.803 flat angles C4'-P-C4' energy: -137.358 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: 16.194 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: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2247.517092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.517092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.517092 (E_RNA) where: Base-Base interactions energy: -1342.512 where: short stacking energy: -885.577 Base-Backbone interact. energy: 0.627 local terms energy: -905.631464 where: bonds (distance) C4'-P energy: -173.034 bonds (distance) P-C4' energy: -180.347 flat angles C4'-P-C4' energy: -195.578 flat angles P-C4'-P energy: -138.507 tors. eta vs tors. theta energy: -218.166 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: 50 Temperature: 0.950000 Total energy: -2112.224698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.224698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.224698 (E_RNA) where: Base-Base interactions energy: -1257.442 where: short stacking energy: -806.423 Base-Backbone interact. energy: -3.991 local terms energy: -850.792211 where: bonds (distance) C4'-P energy: -173.503 bonds (distance) P-C4' energy: -191.160 flat angles C4'-P-C4' energy: -181.315 flat angles P-C4'-P energy: -124.495 tors. eta vs tors. theta energy: -180.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1925.806800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.806800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.806800 (E_RNA) where: Base-Base interactions energy: -1070.738 where: short stacking energy: -747.056 Base-Backbone interact. energy: -2.066 local terms energy: -853.002249 where: bonds (distance) C4'-P energy: -168.421 bonds (distance) P-C4' energy: -205.518 flat angles C4'-P-C4' energy: -191.795 flat angles P-C4'-P energy: -117.825 tors. eta vs tors. theta energy: -169.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1683.820738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.820738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.820738 (E_RNA) where: Base-Base interactions energy: -930.442 where: short stacking energy: -632.024 Base-Backbone interact. energy: -1.978 local terms energy: -751.400840 where: bonds (distance) C4'-P energy: -147.255 bonds (distance) P-C4' energy: -177.091 flat angles C4'-P-C4' energy: -187.701 flat angles P-C4'-P energy: -112.543 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: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1560.577473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.577473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.577473 (E_RNA) where: Base-Base interactions energy: -866.414 where: short stacking energy: -582.662 Base-Backbone interact. energy: 0.576 local terms energy: -694.739675 where: bonds (distance) C4'-P energy: -156.356 bonds (distance) P-C4' energy: -176.643 flat angles C4'-P-C4' energy: -173.472 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: -101.829 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: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1406.555014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.555014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.555014 (E_RNA) where: Base-Base interactions energy: -777.050 where: short stacking energy: -521.828 Base-Backbone interact. energy: -1.223 local terms energy: -628.281825 where: bonds (distance) C4'-P energy: -135.613 bonds (distance) P-C4' energy: -157.872 flat angles C4'-P-C4' energy: -159.147 flat angles P-C4'-P energy: -103.420 tors. eta vs tors. theta energy: -72.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1110.042385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.042385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.042385 (E_RNA) where: Base-Base interactions energy: -551.336 where: short stacking energy: -426.387 Base-Backbone interact. energy: 2.362 local terms energy: -561.068431 where: bonds (distance) C4'-P energy: -144.277 bonds (distance) P-C4' energy: -155.773 flat angles C4'-P-C4' energy: -147.252 flat angles P-C4'-P energy: -78.325 tors. eta vs tors. theta energy: -35.441 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: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1002.905594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.905594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.905594 (E_RNA) where: Base-Base interactions energy: -484.055 where: short stacking energy: -360.953 Base-Backbone interact. energy: -0.577 local terms energy: -518.272800 where: bonds (distance) C4'-P energy: -138.327 bonds (distance) P-C4' energy: -161.678 flat angles C4'-P-C4' energy: -138.304 flat angles P-C4'-P energy: -65.505 tors. eta vs tors. theta energy: -14.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -840.811432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.811432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.811432 (E_RNA) where: Base-Base interactions energy: -366.344 where: short stacking energy: -315.775 Base-Backbone interact. energy: -4.508 local terms energy: -469.959613 where: bonds (distance) C4'-P energy: -112.198 bonds (distance) P-C4' energy: -161.283 flat angles C4'-P-C4' energy: -135.176 flat angles P-C4'-P energy: -63.073 tors. eta vs tors. theta energy: 1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -755.717326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.717326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.717326 (E_RNA) where: Base-Base interactions energy: -274.261 where: short stacking energy: -239.777 Base-Backbone interact. energy: 0.027 local terms energy: -481.483484 where: bonds (distance) C4'-P energy: -141.161 bonds (distance) P-C4' energy: -149.129 flat angles C4'-P-C4' energy: -132.585 flat angles P-C4'-P energy: -86.564 tors. eta vs tors. theta energy: 27.956 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: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2286.946364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.946364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.946364 (E_RNA) where: Base-Base interactions energy: -1399.059 where: short stacking energy: -880.885 Base-Backbone interact. energy: -3.788 local terms energy: -884.099272 where: bonds (distance) C4'-P energy: -161.105 bonds (distance) P-C4' energy: -184.238 flat angles C4'-P-C4' energy: -199.170 flat angles P-C4'-P energy: -130.311 tors. eta vs tors. theta energy: -209.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2113.633834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.633834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.633834 (E_RNA) where: Base-Base interactions energy: -1247.451 where: short stacking energy: -786.778 Base-Backbone interact. energy: -2.013 local terms energy: -864.169819 where: bonds (distance) C4'-P energy: -178.445 bonds (distance) P-C4' energy: -177.943 flat angles C4'-P-C4' energy: -198.565 flat angles P-C4'-P energy: -122.162 tors. eta vs tors. theta energy: -187.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1887.047470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.047470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.047470 (E_RNA) where: Base-Base interactions energy: -1086.348 where: short stacking energy: -720.331 Base-Backbone interact. energy: -5.487 local terms energy: -795.212517 where: bonds (distance) C4'-P energy: -171.829 bonds (distance) P-C4' energy: -157.054 flat angles C4'-P-C4' energy: -184.221 flat angles P-C4'-P energy: -123.301 tors. eta vs tors. theta energy: -158.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1735.858904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.858904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.858904 (E_RNA) where: Base-Base interactions energy: -989.427 where: short stacking energy: -656.193 Base-Backbone interact. energy: -0.539 local terms energy: -745.893714 where: bonds (distance) C4'-P energy: -172.936 bonds (distance) P-C4' energy: -161.695 flat angles C4'-P-C4' energy: -171.703 flat angles P-C4'-P energy: -114.178 tors. eta vs tors. theta energy: -125.381 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: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1649.358255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.358255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.358255 (E_RNA) where: Base-Base interactions energy: -934.427 where: short stacking energy: -614.779 Base-Backbone interact. energy: -4.483 local terms energy: -710.448184 where: bonds (distance) C4'-P energy: -150.128 bonds (distance) P-C4' energy: -177.154 flat angles C4'-P-C4' energy: -177.282 flat angles P-C4'-P energy: -98.523 tors. eta vs tors. theta energy: -107.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1385.965407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.965407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.965407 (E_RNA) where: Base-Base interactions energy: -755.939 where: short stacking energy: -501.409 Base-Backbone interact. energy: -1.334 local terms energy: -628.692603 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -151.612 flat angles P-C4'-P energy: -112.212 tors. eta vs tors. theta energy: -67.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1128.387522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.387522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.387522 (E_RNA) where: Base-Base interactions energy: -522.761 where: short stacking energy: -413.549 Base-Backbone interact. energy: 1.461 local terms energy: -607.087171 where: bonds (distance) C4'-P energy: -149.886 bonds (distance) P-C4' energy: -151.370 flat angles C4'-P-C4' energy: -162.670 flat angles P-C4'-P energy: -93.611 tors. eta vs tors. theta energy: -49.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1062.139043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.139043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.139043 (E_RNA) where: Base-Base interactions energy: -527.027 where: short stacking energy: -386.901 Base-Backbone interact. energy: -1.137 local terms energy: -533.974318 where: bonds (distance) C4'-P energy: -134.352 bonds (distance) P-C4' energy: -137.829 flat angles C4'-P-C4' energy: -148.631 flat angles P-C4'-P energy: -90.804 tors. eta vs tors. theta energy: -22.358 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: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -841.137900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.137900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.137900 (E_RNA) where: Base-Base interactions energy: -319.509 where: short stacking energy: -296.715 Base-Backbone interact. energy: 0.578 local terms energy: -522.207552 where: bonds (distance) C4'-P energy: -149.950 bonds (distance) P-C4' energy: -175.549 flat angles C4'-P-C4' energy: -128.562 flat angles P-C4'-P energy: -74.046 tors. eta vs tors. theta energy: 5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -768.122043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.122043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.122043 (E_RNA) where: Base-Base interactions energy: -289.187 where: short stacking energy: -265.906 Base-Backbone interact. energy: 0.852 local terms energy: -479.786601 where: bonds (distance) C4'-P energy: -135.366 bonds (distance) P-C4' energy: -159.060 flat angles C4'-P-C4' energy: -123.210 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: 6.678 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: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2365.475609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.475609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.475609 (E_RNA) where: Base-Base interactions energy: -1421.264 where: short stacking energy: -883.203 Base-Backbone interact. energy: 1.013 local terms energy: -945.224514 where: bonds (distance) C4'-P energy: -179.504 bonds (distance) P-C4' energy: -189.249 flat angles C4'-P-C4' energy: -206.028 flat angles P-C4'-P energy: -140.953 tors. eta vs tors. theta energy: -229.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2131.628147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.628147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.628147 (E_RNA) where: Base-Base interactions energy: -1275.043 where: short stacking energy: -818.433 Base-Backbone interact. energy: -4.994 local terms energy: -851.592021 where: bonds (distance) C4'-P energy: -176.664 bonds (distance) P-C4' energy: -180.217 flat angles C4'-P-C4' energy: -202.373 flat angles P-C4'-P energy: -120.141 tors. eta vs tors. theta energy: -172.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1885.987593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.987593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.987593 (E_RNA) where: Base-Base interactions energy: -1050.585 where: short stacking energy: -745.333 Base-Backbone interact. energy: -4.910 local terms energy: -830.492671 where: bonds (distance) C4'-P energy: -186.976 bonds (distance) P-C4' energy: -170.753 flat angles C4'-P-C4' energy: -180.945 flat angles P-C4'-P energy: -110.687 tors. eta vs tors. theta energy: -181.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1828.571102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.571102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.571102 (E_RNA) where: Base-Base interactions energy: -1027.528 where: short stacking energy: -735.592 Base-Backbone interact. energy: -4.927 local terms energy: -796.116618 where: bonds (distance) C4'-P energy: -158.421 bonds (distance) P-C4' energy: -169.883 flat angles C4'-P-C4' energy: -189.358 flat angles P-C4'-P energy: -108.407 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: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1632.545434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.545434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.545434 (E_RNA) where: Base-Base interactions energy: -902.666 where: short stacking energy: -577.755 Base-Backbone interact. energy: -5.728 local terms energy: -724.151104 where: bonds (distance) C4'-P energy: -174.106 bonds (distance) P-C4' energy: -182.624 flat angles C4'-P-C4' energy: -149.917 flat angles P-C4'-P energy: -117.737 tors. eta vs tors. theta energy: -99.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1366.007199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.007199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.007199 (E_RNA) where: Base-Base interactions energy: -710.984 where: short stacking energy: -524.846 Base-Backbone interact. energy: -1.325 local terms energy: -653.697746 where: bonds (distance) C4'-P energy: -158.267 bonds (distance) P-C4' energy: -156.940 flat angles C4'-P-C4' energy: -161.656 flat angles P-C4'-P energy: -105.850 tors. eta vs tors. theta energy: -70.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1138.497822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.497822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.497822 (E_RNA) where: Base-Base interactions energy: -569.076 where: short stacking energy: -419.669 Base-Backbone interact. energy: -2.879 local terms energy: -566.543222 where: bonds (distance) C4'-P energy: -121.943 bonds (distance) P-C4' energy: -188.130 flat angles C4'-P-C4' energy: -120.674 flat angles P-C4'-P energy: -97.446 tors. eta vs tors. theta energy: -38.350 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: 52 Temperature: 1.250000 Total energy: -917.865098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.865098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.865098 (E_RNA) where: Base-Base interactions energy: -369.385 where: short stacking energy: -328.710 Base-Backbone interact. energy: -0.760 local terms energy: -547.720194 where: bonds (distance) C4'-P energy: -145.176 bonds (distance) P-C4' energy: -168.104 flat angles C4'-P-C4' energy: -146.029 flat angles P-C4'-P energy: -83.955 tors. eta vs tors. theta energy: -4.456 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: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -794.749867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.749867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.749867 (E_RNA) where: Base-Base interactions energy: -304.400 where: short stacking energy: -288.066 Base-Backbone interact. energy: -0.830 local terms energy: -489.519908 where: bonds (distance) C4'-P energy: -135.806 bonds (distance) P-C4' energy: -151.084 flat angles C4'-P-C4' energy: -121.709 flat angles P-C4'-P energy: -88.641 tors. eta vs tors. theta energy: 7.721 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: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -808.851853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.851853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.851853 (E_RNA) where: Base-Base interactions energy: -365.415 where: short stacking energy: -259.980 Base-Backbone interact. energy: 2.872 local terms energy: -446.308496 where: bonds (distance) C4'-P energy: -158.862 bonds (distance) P-C4' energy: -150.744 flat angles C4'-P-C4' energy: -106.197 flat angles P-C4'-P energy: -52.705 tors. eta vs tors. theta energy: 22.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2337.363417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.363417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.363417 (E_RNA) where: Base-Base interactions energy: -1451.345 where: short stacking energy: -933.788 Base-Backbone interact. energy: -3.592 local terms energy: -882.426835 where: bonds (distance) C4'-P energy: -170.627 bonds (distance) P-C4' energy: -185.841 flat angles C4'-P-C4' energy: -190.547 flat angles P-C4'-P energy: -124.236 tors. eta vs tors. theta energy: -211.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2074.653077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.653077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.653077 (E_RNA) where: Base-Base interactions energy: -1252.379 where: short stacking energy: -816.633 Base-Backbone interact. energy: -6.770 local terms energy: -815.504052 where: bonds (distance) C4'-P energy: -171.931 bonds (distance) P-C4' energy: -169.070 flat angles C4'-P-C4' energy: -188.822 flat angles P-C4'-P energy: -103.991 tors. eta vs tors. theta energy: -181.690 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: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1862.135057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.135057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.135057 (E_RNA) where: Base-Base interactions energy: -1027.503 where: short stacking energy: -717.238 Base-Backbone interact. energy: -4.194 local terms energy: -830.438426 where: bonds (distance) C4'-P energy: -168.814 bonds (distance) P-C4' energy: -185.976 flat angles C4'-P-C4' energy: -186.874 flat angles P-C4'-P energy: -128.568 tors. eta vs tors. theta energy: -160.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1820.880003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.880003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.880003 (E_RNA) where: Base-Base interactions energy: -1065.943 where: short stacking energy: -734.802 Base-Backbone interact. energy: -0.416 local terms energy: -754.521482 where: bonds (distance) C4'-P energy: -164.415 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -176.167 flat angles P-C4'-P energy: -92.910 tors. eta vs tors. theta energy: -164.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1626.203078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.203078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.203078 (E_RNA) where: Base-Base interactions energy: -898.305 where: short stacking energy: -597.067 Base-Backbone interact. energy: -0.357 local terms energy: -727.541863 where: bonds (distance) C4'-P energy: -164.771 bonds (distance) P-C4' energy: -160.979 flat angles C4'-P-C4' energy: -167.224 flat angles P-C4'-P energy: -107.575 tors. eta vs tors. theta energy: -126.993 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: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1344.472263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.472263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.472263 (E_RNA) where: Base-Base interactions energy: -697.546 where: short stacking energy: -507.543 Base-Backbone interact. energy: -2.282 local terms energy: -644.645096 where: bonds (distance) C4'-P energy: -149.720 bonds (distance) P-C4' energy: -152.570 flat angles C4'-P-C4' energy: -156.811 flat angles P-C4'-P energy: -104.952 tors. eta vs tors. theta energy: -80.591 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: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1159.758733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.758733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.758733 (E_RNA) where: Base-Base interactions energy: -570.357 where: short stacking energy: -454.174 Base-Backbone interact. energy: 2.110 local terms energy: -591.511445 where: bonds (distance) C4'-P energy: -156.174 bonds (distance) P-C4' energy: -153.568 flat angles C4'-P-C4' energy: -144.590 flat angles P-C4'-P energy: -93.403 tors. eta vs tors. theta energy: -43.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -945.769097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.769097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.769097 (E_RNA) where: Base-Base interactions energy: -431.196 where: short stacking energy: -347.959 Base-Backbone interact. energy: 5.315 local terms energy: -519.888380 where: bonds (distance) C4'-P energy: -123.105 bonds (distance) P-C4' energy: -154.003 flat angles C4'-P-C4' energy: -134.125 flat angles P-C4'-P energy: -105.505 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -809.611259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.611259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.611259 (E_RNA) where: Base-Base interactions energy: -341.037 where: short stacking energy: -313.283 Base-Backbone interact. energy: 13.325 local terms energy: -481.899367 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -135.408 flat angles C4'-P-C4' energy: -123.996 flat angles P-C4'-P energy: -83.054 tors. eta vs tors. theta energy: 5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -773.548094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.548094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.548094 (E_RNA) where: Base-Base interactions energy: -342.010 where: short stacking energy: -287.871 Base-Backbone interact. energy: -1.532 local terms energy: -430.006326 where: bonds (distance) C4'-P energy: -114.499 bonds (distance) P-C4' energy: -129.182 flat angles C4'-P-C4' energy: -134.649 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: 13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2305.343048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.343048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.343048 (E_RNA) where: Base-Base interactions energy: -1412.277 where: short stacking energy: -927.047 Base-Backbone interact. energy: -0.027 local terms energy: -893.038761 where: bonds (distance) C4'-P energy: -179.649 bonds (distance) P-C4' energy: -171.562 flat angles C4'-P-C4' energy: -191.952 flat angles P-C4'-P energy: -124.374 tors. eta vs tors. theta energy: -225.502 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: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2081.914773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.914773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.914773 (E_RNA) where: Base-Base interactions energy: -1222.643 where: short stacking energy: -787.211 Base-Backbone interact. energy: -1.838 local terms energy: -857.433636 where: bonds (distance) C4'-P energy: -166.625 bonds (distance) P-C4' energy: -167.659 flat angles C4'-P-C4' energy: -210.493 flat angles P-C4'-P energy: -137.710 tors. eta vs tors. theta energy: -174.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1918.917582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.917582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.917582 (E_RNA) where: Base-Base interactions energy: -1116.801 where: short stacking energy: -801.252 Base-Backbone interact. energy: -1.389 local terms energy: -800.726940 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -182.269 flat angles C4'-P-C4' energy: -178.665 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -170.556 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: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1734.570044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.570044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.570044 (E_RNA) where: Base-Base interactions energy: -966.790 where: short stacking energy: -665.763 Base-Backbone interact. energy: -0.944 local terms energy: -766.836178 where: bonds (distance) C4'-P energy: -161.833 bonds (distance) P-C4' energy: -163.410 flat angles C4'-P-C4' energy: -176.155 flat angles P-C4'-P energy: -117.885 tors. eta vs tors. theta energy: -147.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1573.008597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.008597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.008597 (E_RNA) where: Base-Base interactions energy: -877.133 where: short stacking energy: -544.047 Base-Backbone interact. energy: -2.806 local terms energy: -693.069653 where: bonds (distance) C4'-P energy: -157.098 bonds (distance) P-C4' energy: -173.188 flat angles C4'-P-C4' energy: -174.368 flat angles P-C4'-P energy: -97.865 tors. eta vs tors. theta energy: -90.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1430.763900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.763900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.763900 (E_RNA) where: Base-Base interactions energy: -772.923 where: short stacking energy: -528.043 Base-Backbone interact. energy: 1.457 local terms energy: -659.297822 where: bonds (distance) C4'-P energy: -148.418 bonds (distance) P-C4' energy: -172.333 flat angles C4'-P-C4' energy: -168.882 flat angles P-C4'-P energy: -91.857 tors. eta vs tors. theta energy: -77.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1106.271464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.271464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.271464 (E_RNA) where: Base-Base interactions energy: -537.868 where: short stacking energy: -416.981 Base-Backbone interact. energy: 0.197 local terms energy: -568.600421 where: bonds (distance) C4'-P energy: -150.537 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -131.813 flat angles P-C4'-P energy: -72.666 tors. eta vs tors. theta energy: -47.992 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: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -899.765183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.765183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.765183 (E_RNA) where: Base-Base interactions energy: -393.444 where: short stacking energy: -270.297 Base-Backbone interact. energy: -0.587 local terms energy: -505.733491 where: bonds (distance) C4'-P energy: -158.145 bonds (distance) P-C4' energy: -150.741 flat angles C4'-P-C4' energy: -119.926 flat angles P-C4'-P energy: -89.025 tors. eta vs tors. theta energy: 12.104 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: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -786.312391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.312391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.312391 (E_RNA) where: Base-Base interactions energy: -310.394 where: short stacking energy: -245.192 Base-Backbone interact. energy: 0.738 local terms energy: -476.656045 where: bonds (distance) C4'-P energy: -144.804 bonds (distance) P-C4' energy: -146.452 flat angles C4'-P-C4' energy: -126.526 flat angles P-C4'-P energy: -75.643 tors. eta vs tors. theta energy: 16.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -779.395346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.395346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.395346 (E_RNA) where: Base-Base interactions energy: -357.413 where: short stacking energy: -296.423 Base-Backbone interact. energy: -0.066 local terms energy: -421.916028 where: bonds (distance) C4'-P energy: -137.270 bonds (distance) P-C4' energy: -144.340 flat angles C4'-P-C4' energy: -94.375 flat angles P-C4'-P energy: -58.401 tors. eta vs tors. theta energy: 12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2329.021476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.021476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.021476 (E_RNA) where: Base-Base interactions energy: -1372.174 where: short stacking energy: -896.823 Base-Backbone interact. energy: -3.878 local terms energy: -952.970321 where: bonds (distance) C4'-P energy: -176.782 bonds (distance) P-C4' energy: -173.705 flat angles C4'-P-C4' energy: -215.133 flat angles P-C4'-P energy: -156.017 tors. eta vs tors. theta energy: -231.333 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: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2122.986650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.986650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.986650 (E_RNA) where: Base-Base interactions energy: -1243.427 where: short stacking energy: -857.682 Base-Backbone interact. energy: -4.410 local terms energy: -875.148954 where: bonds (distance) C4'-P energy: -168.392 bonds (distance) P-C4' energy: -168.686 flat angles C4'-P-C4' energy: -196.909 flat angles P-C4'-P energy: -141.491 tors. eta vs tors. theta energy: -199.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1947.375668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.375668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.375668 (E_RNA) where: Base-Base interactions energy: -1124.455 where: short stacking energy: -766.687 Base-Backbone interact. energy: 0.629 local terms energy: -823.549951 where: bonds (distance) C4'-P energy: -188.581 bonds (distance) P-C4' energy: -174.519 flat angles C4'-P-C4' energy: -181.581 flat angles P-C4'-P energy: -112.002 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: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1827.846384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.846384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.846384 (E_RNA) where: Base-Base interactions energy: -1055.029 where: short stacking energy: -698.754 Base-Backbone interact. energy: -2.873 local terms energy: -769.944585 where: bonds (distance) C4'-P energy: -166.388 bonds (distance) P-C4' energy: -174.594 flat angles C4'-P-C4' energy: -169.553 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -158.143 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: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1711.439624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.439624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.439624 (E_RNA) where: Base-Base interactions energy: -982.922 where: short stacking energy: -664.419 Base-Backbone interact. energy: 4.921 local terms energy: -733.438636 where: bonds (distance) C4'-P energy: -151.072 bonds (distance) P-C4' energy: -162.222 flat angles C4'-P-C4' energy: -186.555 flat angles P-C4'-P energy: -105.207 tors. eta vs tors. theta energy: -128.382 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: 55 Temperature: 1.150000 Total energy: -1412.741765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.741765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.741765 (E_RNA) where: Base-Base interactions energy: -752.673 where: short stacking energy: -528.163 Base-Backbone interact. energy: -3.080 local terms energy: -656.988176 where: bonds (distance) C4'-P energy: -164.723 bonds (distance) P-C4' energy: -173.801 flat angles C4'-P-C4' energy: -151.469 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -81.877 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1074.098717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.098717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.098717 (E_RNA) where: Base-Base interactions energy: -476.530 where: short stacking energy: -395.674 Base-Backbone interact. energy: 0.842 local terms energy: -598.409923 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -179.359 flat angles C4'-P-C4' energy: -163.224 flat angles P-C4'-P energy: -82.489 tors. eta vs tors. theta energy: -47.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -979.657568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.657568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.657568 (E_RNA) where: Base-Base interactions energy: -406.539 where: short stacking energy: -351.787 Base-Backbone interact. energy: 2.850 local terms energy: -575.968689 where: bonds (distance) C4'-P energy: -154.169 bonds (distance) P-C4' energy: -159.321 flat angles C4'-P-C4' energy: -157.186 flat angles P-C4'-P energy: -90.871 tors. eta vs tors. theta energy: -14.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -825.308498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.308498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.308498 (E_RNA) where: Base-Base interactions energy: -309.398 where: short stacking energy: -289.617 Base-Backbone interact. energy: 0.181 local terms energy: -516.091406 where: bonds (distance) C4'-P energy: -138.009 bonds (distance) P-C4' energy: -158.067 flat angles C4'-P-C4' energy: -142.920 flat angles P-C4'-P energy: -86.377 tors. eta vs tors. theta energy: 9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -824.530153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.530153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.530153 (E_RNA) where: Base-Base interactions energy: -338.592 where: short stacking energy: -296.790 Base-Backbone interact. energy: 3.990 local terms energy: -489.927865 where: bonds (distance) C4'-P energy: -140.142 bonds (distance) P-C4' energy: -165.574 flat angles C4'-P-C4' energy: -117.700 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: 5.386 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: 56 Temperature: 0.900000 Total energy: -2346.568546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.568546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.568546 (E_RNA) where: Base-Base interactions energy: -1413.605 where: short stacking energy: -933.335 Base-Backbone interact. energy: -3.657 local terms energy: -929.307368 where: bonds (distance) C4'-P energy: -161.661 bonds (distance) P-C4' energy: -185.245 flat angles C4'-P-C4' energy: -209.608 flat angles P-C4'-P energy: -137.415 tors. eta vs tors. theta energy: -235.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2047.388357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.388357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.388357 (E_RNA) where: Base-Base interactions energy: -1219.185 where: short stacking energy: -809.380 Base-Backbone interact. energy: -3.047 local terms energy: -825.156434 where: bonds (distance) C4'-P energy: -165.345 bonds (distance) P-C4' energy: -160.005 flat angles C4'-P-C4' energy: -198.117 flat angles P-C4'-P energy: -121.834 tors. eta vs tors. theta energy: -179.855 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: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1871.074003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.074003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.074003 (E_RNA) where: Base-Base interactions energy: -1058.126 where: short stacking energy: -694.843 Base-Backbone interact. energy: -5.315 local terms energy: -807.632968 where: bonds (distance) C4'-P energy: -175.115 bonds (distance) P-C4' energy: -181.465 flat angles C4'-P-C4' energy: -186.560 flat angles P-C4'-P energy: -108.404 tors. eta vs tors. theta energy: -156.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1789.047803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.047803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.047803 (E_RNA) where: Base-Base interactions energy: -1031.719 where: short stacking energy: -704.012 Base-Backbone interact. energy: -3.422 local terms energy: -753.907265 where: bonds (distance) C4'-P energy: -168.353 bonds (distance) P-C4' energy: -164.905 flat angles C4'-P-C4' energy: -177.297 flat angles P-C4'-P energy: -86.380 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: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1629.371499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.371499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.371499 (E_RNA) where: Base-Base interactions energy: -924.527 where: short stacking energy: -616.697 Base-Backbone interact. energy: -4.316 local terms energy: -700.528254 where: bonds (distance) C4'-P energy: -136.911 bonds (distance) P-C4' energy: -168.309 flat angles C4'-P-C4' energy: -174.479 flat angles P-C4'-P energy: -94.781 tors. eta vs tors. theta energy: -126.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1407.713839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.713839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.713839 (E_RNA) where: Base-Base interactions energy: -752.095 where: short stacking energy: -541.061 Base-Backbone interact. energy: -0.875 local terms energy: -654.743483 where: bonds (distance) C4'-P energy: -127.219 bonds (distance) P-C4' energy: -165.225 flat angles C4'-P-C4' energy: -178.710 flat angles P-C4'-P energy: -93.265 tors. eta vs tors. theta energy: -90.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1129.939769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.939769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.939769 (E_RNA) where: Base-Base interactions energy: -548.799 where: short stacking energy: -415.861 Base-Backbone interact. energy: 1.631 local terms energy: -582.771686 where: bonds (distance) C4'-P energy: -164.812 bonds (distance) P-C4' energy: -146.290 flat angles C4'-P-C4' energy: -138.316 flat angles P-C4'-P energy: -102.597 tors. eta vs tors. theta energy: -30.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -958.642653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.642653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.642653 (E_RNA) where: Base-Base interactions energy: -417.865 where: short stacking energy: -344.561 Base-Backbone interact. energy: -0.905 local terms energy: -539.872169 where: bonds (distance) C4'-P energy: -149.843 bonds (distance) P-C4' energy: -152.137 flat angles C4'-P-C4' energy: -140.440 flat angles P-C4'-P energy: -92.900 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -798.430373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.430373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.430373 (E_RNA) where: Base-Base interactions energy: -306.600 where: short stacking energy: -295.183 Base-Backbone interact. energy: 3.353 local terms energy: -495.182894 where: bonds (distance) C4'-P energy: -139.256 bonds (distance) P-C4' energy: -162.028 flat angles C4'-P-C4' energy: -146.380 flat angles P-C4'-P energy: -64.811 tors. eta vs tors. theta energy: 17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -752.744622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.744622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.744622 (E_RNA) where: Base-Base interactions energy: -283.313 where: short stacking energy: -251.672 Base-Backbone interact. energy: -2.730 local terms energy: -466.702143 where: bonds (distance) C4'-P energy: -145.219 bonds (distance) P-C4' energy: -135.426 flat angles C4'-P-C4' energy: -127.676 flat angles P-C4'-P energy: -72.287 tors. eta vs tors. theta energy: 13.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2390.450339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.450339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.450339 (E_RNA) where: Base-Base interactions energy: -1427.710 where: short stacking energy: -946.673 Base-Backbone interact. energy: -3.024 local terms energy: -959.716623 where: bonds (distance) C4'-P energy: -187.007 bonds (distance) P-C4' energy: -192.480 flat angles C4'-P-C4' energy: -208.872 flat angles P-C4'-P energy: -135.805 tors. eta vs tors. theta energy: -235.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2095.474706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.474706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.474706 (E_RNA) where: Base-Base interactions energy: -1235.264 where: short stacking energy: -821.297 Base-Backbone interact. energy: -3.541 local terms energy: -856.669172 where: bonds (distance) C4'-P energy: -163.573 bonds (distance) P-C4' energy: -169.051 flat angles C4'-P-C4' energy: -206.865 flat angles P-C4'-P energy: -125.085 tors. eta vs tors. theta energy: -192.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1909.062610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.062610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.062610 (E_RNA) where: Base-Base interactions energy: -1099.650 where: short stacking energy: -732.198 Base-Backbone interact. energy: -0.322 local terms energy: -809.090480 where: bonds (distance) C4'-P energy: -170.882 bonds (distance) P-C4' energy: -171.922 flat angles C4'-P-C4' energy: -187.263 flat angles P-C4'-P energy: -119.934 tors. eta vs tors. theta energy: -159.090 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: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1843.833999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.833999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.833999 (E_RNA) where: Base-Base interactions energy: -1048.620 where: short stacking energy: -701.424 Base-Backbone interact. energy: 2.094 local terms energy: -797.307815 where: bonds (distance) C4'-P energy: -175.540 bonds (distance) P-C4' energy: -181.259 flat angles C4'-P-C4' energy: -168.343 flat angles P-C4'-P energy: -111.757 tors. eta vs tors. theta energy: -160.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1647.406310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.406310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.406310 (E_RNA) where: Base-Base interactions energy: -969.809 where: short stacking energy: -655.797 Base-Backbone interact. energy: -4.979 local terms energy: -672.618548 where: bonds (distance) C4'-P energy: -139.303 bonds (distance) P-C4' energy: -159.324 flat angles C4'-P-C4' energy: -174.718 flat angles P-C4'-P energy: -101.943 tors. eta vs tors. theta energy: -97.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1423.671605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.671605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.671605 (E_RNA) where: Base-Base interactions energy: -778.199 where: short stacking energy: -539.153 Base-Backbone interact. energy: -0.660 local terms energy: -644.812518 where: bonds (distance) C4'-P energy: -169.353 bonds (distance) P-C4' energy: -146.428 flat angles C4'-P-C4' energy: -154.996 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -83.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1059.397426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.397426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.397426 (E_RNA) where: Base-Base interactions energy: -482.605 where: short stacking energy: -413.894 Base-Backbone interact. energy: -3.973 local terms energy: -572.819813 where: bonds (distance) C4'-P energy: -125.675 bonds (distance) P-C4' energy: -177.834 flat angles C4'-P-C4' energy: -149.606 flat angles P-C4'-P energy: -88.581 tors. eta vs tors. theta energy: -31.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -987.540725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.540725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.540725 (E_RNA) where: Base-Base interactions energy: -441.185 where: short stacking energy: -400.677 Base-Backbone interact. energy: 5.572 local terms energy: -551.927840 where: bonds (distance) C4'-P energy: -137.345 bonds (distance) P-C4' energy: -153.264 flat angles C4'-P-C4' energy: -132.804 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -48.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -810.924979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.924979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.924979 (E_RNA) where: Base-Base interactions energy: -310.761 where: short stacking energy: -281.361 Base-Backbone interact. energy: 1.479 local terms energy: -501.642690 where: bonds (distance) C4'-P energy: -153.741 bonds (distance) P-C4' energy: -147.115 flat angles C4'-P-C4' energy: -135.197 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -7.933 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: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -782.317971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.317971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.317971 (E_RNA) where: Base-Base interactions energy: -320.957 where: short stacking energy: -273.453 Base-Backbone interact. energy: 2.982 local terms energy: -464.342242 where: bonds (distance) C4'-P energy: -150.829 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -138.985 flat angles P-C4'-P energy: -68.660 tors. eta vs tors. theta energy: 29.115 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: 1, replica: 1 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2410.951288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.951288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.951288 (E_RNA) where: Base-Base interactions energy: -1473.516 where: short stacking energy: -961.810 Base-Backbone interact. energy: -4.398 local terms energy: -933.037641 where: bonds (distance) C4'-P energy: -174.852 bonds (distance) P-C4' energy: -184.814 flat angles C4'-P-C4' energy: -204.012 flat angles P-C4'-P energy: -131.206 tors. eta vs tors. theta energy: -238.155 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: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2136.178784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.178784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.178784 (E_RNA) where: Base-Base interactions energy: -1276.827 where: short stacking energy: -842.955 Base-Backbone interact. energy: -0.364 local terms energy: -858.987202 where: bonds (distance) C4'-P energy: -172.469 bonds (distance) P-C4' energy: -166.061 flat angles C4'-P-C4' energy: -199.854 flat angles P-C4'-P energy: -121.240 tors. eta vs tors. theta energy: -199.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1947.526154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.526154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.526154 (E_RNA) where: Base-Base interactions energy: -1114.827 where: short stacking energy: -763.402 Base-Backbone interact. energy: -0.153 local terms energy: -832.545901 where: bonds (distance) C4'-P energy: -167.216 bonds (distance) P-C4' energy: -159.455 flat angles C4'-P-C4' energy: -196.265 flat angles P-C4'-P energy: -121.945 tors. eta vs tors. theta energy: -187.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1818.147003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.147003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.147003 (E_RNA) where: Base-Base interactions energy: -1038.529 where: short stacking energy: -698.064 Base-Backbone interact. energy: -1.910 local terms energy: -777.708574 where: bonds (distance) C4'-P energy: -155.895 bonds (distance) P-C4' energy: -187.658 flat angles C4'-P-C4' energy: -175.106 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -149.157 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: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1599.878716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.878716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.878716 (E_RNA) where: Base-Base interactions energy: -933.228 where: short stacking energy: -588.602 Base-Backbone interact. energy: -6.026 local terms energy: -660.624619 where: bonds (distance) C4'-P energy: -135.989 bonds (distance) P-C4' energy: -169.105 flat angles C4'-P-C4' energy: -164.967 flat angles P-C4'-P energy: -95.486 tors. eta vs tors. theta energy: -95.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1395.930406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.930406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.930406 (E_RNA) where: Base-Base interactions energy: -750.341 where: short stacking energy: -514.591 Base-Backbone interact. energy: 0.117 local terms energy: -645.706463 where: bonds (distance) C4'-P energy: -153.094 bonds (distance) P-C4' energy: -148.015 flat angles C4'-P-C4' energy: -170.296 flat angles P-C4'-P energy: -104.406 tors. eta vs tors. theta energy: -69.896 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: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1079.095257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.095257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.095257 (E_RNA) where: Base-Base interactions energy: -491.470 where: short stacking energy: -411.167 Base-Backbone interact. energy: -0.962 local terms energy: -586.663076 where: bonds (distance) C4'-P energy: -152.815 bonds (distance) P-C4' energy: -161.138 flat angles C4'-P-C4' energy: -154.935 flat angles P-C4'-P energy: -94.458 tors. eta vs tors. theta energy: -23.318 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: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -980.498784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.498784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.498784 (E_RNA) where: Base-Base interactions energy: -449.365 where: short stacking energy: -368.679 Base-Backbone interact. energy: -0.993 local terms energy: -530.140178 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -154.763 flat angles C4'-P-C4' energy: -124.943 flat angles P-C4'-P energy: -105.145 tors. eta vs tors. theta energy: -14.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -845.345538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.345538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.345538 (E_RNA) where: Base-Base interactions energy: -362.813 where: short stacking energy: -326.801 Base-Backbone interact. energy: 0.028 local terms energy: -482.560245 where: bonds (distance) C4'-P energy: -150.286 bonds (distance) P-C4' energy: -141.253 flat angles C4'-P-C4' energy: -120.577 flat angles P-C4'-P energy: -72.974 tors. eta vs tors. theta energy: 2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -739.163048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.163048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.163048 (E_RNA) where: Base-Base interactions energy: -259.866 where: short stacking energy: -226.173 Base-Backbone interact. energy: 5.971 local terms energy: -485.268127 where: bonds (distance) C4'-P energy: -154.470 bonds (distance) P-C4' energy: -152.395 flat angles C4'-P-C4' energy: -133.872 flat angles P-C4'-P energy: -79.312 tors. eta vs tors. theta energy: 34.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2426.267712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.267712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.267712 (E_RNA) where: Base-Base interactions energy: -1490.448 where: short stacking energy: -955.976 Base-Backbone interact. energy: -1.906 local terms energy: -933.914012 where: bonds (distance) C4'-P energy: -176.815 bonds (distance) P-C4' energy: -172.351 flat angles C4'-P-C4' energy: -209.929 flat angles P-C4'-P energy: -132.860 tors. eta vs tors. theta energy: -241.959 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: 59 Temperature: 0.950000 Total energy: -2139.419217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.419217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.419217 (E_RNA) where: Base-Base interactions energy: -1242.430 where: short stacking energy: -841.365 Base-Backbone interact. energy: -1.766 local terms energy: -895.222642 where: bonds (distance) C4'-P energy: -176.281 bonds (distance) P-C4' energy: -189.505 flat angles C4'-P-C4' energy: -198.819 flat angles P-C4'-P energy: -133.138 tors. eta vs tors. theta energy: -197.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1961.631314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.631314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.631314 (E_RNA) where: Base-Base interactions energy: -1162.653 where: short stacking energy: -758.806 Base-Backbone interact. energy: -1.250 local terms energy: -797.728798 where: bonds (distance) C4'-P energy: -155.773 bonds (distance) P-C4' energy: -173.160 flat angles C4'-P-C4' energy: -188.847 flat angles P-C4'-P energy: -125.048 tors. eta vs tors. theta energy: -154.901 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: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1829.430136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.430136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.430136 (E_RNA) where: Base-Base interactions energy: -1049.122 where: short stacking energy: -696.320 Base-Backbone interact. energy: -0.383 local terms energy: -779.925224 where: bonds (distance) C4'-P energy: -169.926 bonds (distance) P-C4' energy: -176.031 flat angles C4'-P-C4' energy: -171.743 flat angles P-C4'-P energy: -120.536 tors. eta vs tors. theta energy: -141.689 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: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1597.691178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.691178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.691178 (E_RNA) where: Base-Base interactions energy: -914.390 where: short stacking energy: -580.588 Base-Backbone interact. energy: -0.940 local terms energy: -682.362014 where: bonds (distance) C4'-P energy: -147.696 bonds (distance) P-C4' energy: -160.064 flat angles C4'-P-C4' energy: -162.940 flat angles P-C4'-P energy: -107.101 tors. eta vs tors. theta energy: -104.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1407.707965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.707965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.707965 (E_RNA) where: Base-Base interactions energy: -750.109 where: short stacking energy: -502.305 Base-Backbone interact. energy: -0.113 local terms energy: -657.485886 where: bonds (distance) C4'-P energy: -145.172 bonds (distance) P-C4' energy: -183.507 flat angles C4'-P-C4' energy: -155.270 flat angles P-C4'-P energy: -85.228 tors. eta vs tors. theta energy: -88.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1001.889572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.889572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.889572 (E_RNA) where: Base-Base interactions energy: -416.265 where: short stacking energy: -375.533 Base-Backbone interact. energy: 1.019 local terms energy: -586.643514 where: bonds (distance) C4'-P energy: -146.170 bonds (distance) P-C4' energy: -185.088 flat angles C4'-P-C4' energy: -138.246 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -20.910 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: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -919.781559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.781559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.781559 (E_RNA) where: Base-Base interactions energy: -404.873 where: short stacking energy: -348.977 Base-Backbone interact. energy: 8.463 local terms energy: -523.371973 where: bonds (distance) C4'-P energy: -134.810 bonds (distance) P-C4' energy: -141.518 flat angles C4'-P-C4' energy: -146.817 flat angles P-C4'-P energy: -76.388 tors. eta vs tors. theta energy: -23.838 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: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -885.365023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.365023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.365023 (E_RNA) where: Base-Base interactions energy: -380.000 where: short stacking energy: -309.584 Base-Backbone interact. energy: -0.742 local terms energy: -504.623014 where: bonds (distance) C4'-P energy: -131.586 bonds (distance) P-C4' energy: -160.350 flat angles C4'-P-C4' energy: -147.766 flat angles P-C4'-P energy: -69.992 tors. eta vs tors. theta energy: 5.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -730.925294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.925294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.925294 (E_RNA) where: Base-Base interactions energy: -258.434 where: short stacking energy: -233.695 Base-Backbone interact. energy: 4.862 local terms energy: -477.352484 where: bonds (distance) C4'-P energy: -144.517 bonds (distance) P-C4' energy: -157.700 flat angles C4'-P-C4' energy: -134.336 flat angles P-C4'-P energy: -53.642 tors. eta vs tors. theta energy: 12.842 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: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2413.924959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.924959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.924959 (E_RNA) where: Base-Base interactions energy: -1486.459 where: short stacking energy: -932.979 Base-Backbone interact. energy: -1.806 local terms energy: -925.659929 where: bonds (distance) C4'-P energy: -173.078 bonds (distance) P-C4' energy: -183.176 flat angles C4'-P-C4' energy: -201.994 flat angles P-C4'-P energy: -128.281 tors. eta vs tors. theta energy: -239.131 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: 60 Temperature: 0.950000 Total energy: -2175.642173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.642173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.642173 (E_RNA) where: Base-Base interactions energy: -1263.839 where: short stacking energy: -862.146 Base-Backbone interact. energy: -3.087 local terms energy: -908.715871 where: bonds (distance) C4'-P energy: -187.980 bonds (distance) P-C4' energy: -182.738 flat angles C4'-P-C4' energy: -190.486 flat angles P-C4'-P energy: -125.773 tors. eta vs tors. theta energy: -221.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1955.123361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.123361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.123361 (E_RNA) where: Base-Base interactions energy: -1144.910 where: short stacking energy: -758.827 Base-Backbone interact. energy: -2.573 local terms energy: -807.640795 where: bonds (distance) C4'-P energy: -181.593 bonds (distance) P-C4' energy: -182.484 flat angles C4'-P-C4' energy: -176.001 flat angles P-C4'-P energy: -109.677 tors. eta vs tors. theta energy: -157.885 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: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1831.143148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.143148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.143148 (E_RNA) where: Base-Base interactions energy: -1023.703 where: short stacking energy: -690.223 Base-Backbone interact. energy: -2.062 local terms energy: -805.378279 where: bonds (distance) C4'-P energy: -183.076 bonds (distance) P-C4' energy: -181.198 flat angles C4'-P-C4' energy: -184.804 flat angles P-C4'-P energy: -111.497 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: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1626.301536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.301536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.301536 (E_RNA) where: Base-Base interactions energy: -900.918 where: short stacking energy: -604.463 Base-Backbone interact. energy: -2.864 local terms energy: -722.519128 where: bonds (distance) C4'-P energy: -156.027 bonds (distance) P-C4' energy: -174.839 flat angles C4'-P-C4' energy: -175.533 flat angles P-C4'-P energy: -108.706 tors. eta vs tors. theta energy: -107.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1380.173052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.173052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.173052 (E_RNA) where: Base-Base interactions energy: -750.934 where: short stacking energy: -501.647 Base-Backbone interact. energy: 5.214 local terms energy: -634.453020 where: bonds (distance) C4'-P energy: -169.032 bonds (distance) P-C4' energy: -161.656 flat angles C4'-P-C4' energy: -130.432 flat angles P-C4'-P energy: -110.546 tors. eta vs tors. theta energy: -62.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1022.430202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.430202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.430202 (E_RNA) where: Base-Base interactions energy: -458.643 where: short stacking energy: -385.627 Base-Backbone interact. energy: 4.671 local terms energy: -568.458649 where: bonds (distance) C4'-P energy: -156.780 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -134.798 flat angles P-C4'-P energy: -81.292 tors. eta vs tors. theta energy: -35.718 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: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1002.967211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.967211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.967211 (E_RNA) where: Base-Base interactions energy: -442.668 where: short stacking energy: -372.287 Base-Backbone interact. energy: 1.517 local terms energy: -561.816032 where: bonds (distance) C4'-P energy: -132.886 bonds (distance) P-C4' energy: -155.850 flat angles C4'-P-C4' energy: -146.455 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -40.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -867.817472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.817472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.817472 (E_RNA) where: Base-Base interactions energy: -372.302 where: short stacking energy: -308.119 Base-Backbone interact. energy: -5.161 local terms energy: -490.353561 where: bonds (distance) C4'-P energy: -145.289 bonds (distance) P-C4' energy: -154.659 flat angles C4'-P-C4' energy: -130.741 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: 6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -745.442363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.442363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.442363 (E_RNA) where: Base-Base interactions energy: -306.067 where: short stacking energy: -266.741 Base-Backbone interact. energy: 3.068 local terms energy: -442.443842 where: bonds (distance) C4'-P energy: -156.617 bonds (distance) P-C4' energy: -155.883 flat angles C4'-P-C4' energy: -98.086 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: 25.976 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: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2445.742252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.742252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.742252 (E_RNA) where: Base-Base interactions energy: -1525.240 where: short stacking energy: -950.063 Base-Backbone interact. energy: 1.717 local terms energy: -922.219154 where: bonds (distance) C4'-P energy: -172.518 bonds (distance) P-C4' energy: -174.820 flat angles C4'-P-C4' energy: -208.141 flat angles P-C4'-P energy: -135.970 tors. eta vs tors. theta energy: -230.770 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: 61 Temperature: 0.950000 Total energy: -2151.276437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.276437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.276437 (E_RNA) where: Base-Base interactions energy: -1256.700 where: short stacking energy: -840.164 Base-Backbone interact. energy: -4.840 local terms energy: -889.735489 where: bonds (distance) C4'-P energy: -175.163 bonds (distance) P-C4' energy: -192.852 flat angles C4'-P-C4' energy: -202.190 flat angles P-C4'-P energy: -124.945 tors. eta vs tors. theta energy: -194.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1922.209337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.209337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.209337 (E_RNA) where: Base-Base interactions energy: -1087.777 where: short stacking energy: -764.829 Base-Backbone interact. energy: 0.535 local terms energy: -834.967964 where: bonds (distance) C4'-P energy: -160.660 bonds (distance) P-C4' energy: -181.306 flat angles C4'-P-C4' energy: -179.044 flat angles P-C4'-P energy: -125.550 tors. eta vs tors. theta energy: -188.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1724.119092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.119092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.119092 (E_RNA) where: Base-Base interactions energy: -976.682 where: short stacking energy: -660.024 Base-Backbone interact. energy: -3.069 local terms energy: -744.367709 where: bonds (distance) C4'-P energy: -170.732 bonds (distance) P-C4' energy: -160.645 flat angles C4'-P-C4' energy: -173.271 flat angles P-C4'-P energy: -99.322 tors. eta vs tors. theta energy: -140.398 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: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1631.102804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.102804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.102804 (E_RNA) where: Base-Base interactions energy: -926.952 where: short stacking energy: -622.504 Base-Backbone interact. energy: 0.252 local terms energy: -704.403077 where: bonds (distance) C4'-P energy: -161.740 bonds (distance) P-C4' energy: -146.830 flat angles C4'-P-C4' energy: -176.076 flat angles P-C4'-P energy: -108.495 tors. eta vs tors. theta energy: -111.263 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1442.612185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.612185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.612185 (E_RNA) where: Base-Base interactions energy: -778.372 where: short stacking energy: -549.612 Base-Backbone interact. energy: 2.527 local terms energy: -666.767250 where: bonds (distance) C4'-P energy: -140.661 bonds (distance) P-C4' energy: -174.675 flat angles C4'-P-C4' energy: -165.400 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -95.734 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: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1043.893155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.893155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.893155 (E_RNA) where: Base-Base interactions energy: -476.719 where: short stacking energy: -394.948 Base-Backbone interact. energy: 3.581 local terms energy: -570.755325 where: bonds (distance) C4'-P energy: -148.700 bonds (distance) P-C4' energy: -172.297 flat angles C4'-P-C4' energy: -145.177 flat angles P-C4'-P energy: -85.595 tors. eta vs tors. theta energy: -18.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -925.736982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.736982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.736982 (E_RNA) where: Base-Base interactions energy: -387.338 where: short stacking energy: -306.499 Base-Backbone interact. energy: 3.326 local terms energy: -541.725364 where: bonds (distance) C4'-P energy: -136.557 bonds (distance) P-C4' energy: -139.452 flat angles C4'-P-C4' energy: -157.888 flat angles P-C4'-P energy: -95.767 tors. eta vs tors. theta energy: -12.061 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: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -839.838639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.838639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.838639 (E_RNA) where: Base-Base interactions energy: -341.876 where: short stacking energy: -308.900 Base-Backbone interact. energy: 12.889 local terms energy: -510.852070 where: bonds (distance) C4'-P energy: -139.452 bonds (distance) P-C4' energy: -166.215 flat angles C4'-P-C4' energy: -121.344 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -763.926023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.926023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.926023 (E_RNA) where: Base-Base interactions energy: -332.383 where: short stacking energy: -271.532 Base-Backbone interact. energy: 7.925 local terms energy: -439.468706 where: bonds (distance) C4'-P energy: -142.449 bonds (distance) P-C4' energy: -132.767 flat angles C4'-P-C4' energy: -114.346 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: 25.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2394.459138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.459138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.459138 (E_RNA) where: Base-Base interactions energy: -1472.824 where: short stacking energy: -918.076 Base-Backbone interact. energy: -4.685 local terms energy: -916.950573 where: bonds (distance) C4'-P energy: -179.350 bonds (distance) P-C4' energy: -161.731 flat angles C4'-P-C4' energy: -210.129 flat angles P-C4'-P energy: -129.765 tors. eta vs tors. theta energy: -235.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2199.920860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.920860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.920860 (E_RNA) where: Base-Base interactions energy: -1296.801 where: short stacking energy: -845.049 Base-Backbone interact. energy: -1.960 local terms energy: -901.160070 where: bonds (distance) C4'-P energy: -174.523 bonds (distance) P-C4' energy: -192.186 flat angles C4'-P-C4' energy: -211.564 flat angles P-C4'-P energy: -122.480 tors. eta vs tors. theta energy: -200.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1945.935081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.935081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.935081 (E_RNA) where: Base-Base interactions energy: -1137.860 where: short stacking energy: -757.933 Base-Backbone interact. energy: 0.008 local terms energy: -808.083844 where: bonds (distance) C4'-P energy: -145.413 bonds (distance) P-C4' energy: -169.694 flat angles C4'-P-C4' energy: -197.175 flat angles P-C4'-P energy: -127.884 tors. eta vs tors. theta energy: -167.918 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: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1769.718701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.718701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.718701 (E_RNA) where: Base-Base interactions energy: -1017.372 where: short stacking energy: -680.711 Base-Backbone interact. energy: 0.547 local terms energy: -752.893211 where: bonds (distance) C4'-P energy: -149.417 bonds (distance) P-C4' energy: -157.016 flat angles C4'-P-C4' energy: -181.317 flat angles P-C4'-P energy: -124.563 tors. eta vs tors. theta energy: -140.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1640.130250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.130250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.130250 (E_RNA) where: Base-Base interactions energy: -929.539 where: short stacking energy: -618.609 Base-Backbone interact. energy: 2.895 local terms energy: -713.485680 where: bonds (distance) C4'-P energy: -159.562 bonds (distance) P-C4' energy: -164.032 flat angles C4'-P-C4' energy: -157.295 flat angles P-C4'-P energy: -111.999 tors. eta vs tors. theta energy: -120.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1399.640312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.640312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.640312 (E_RNA) where: Base-Base interactions energy: -743.459 where: short stacking energy: -525.208 Base-Backbone interact. energy: -3.795 local terms energy: -652.385790 where: bonds (distance) C4'-P energy: -169.494 bonds (distance) P-C4' energy: -167.007 flat angles C4'-P-C4' energy: -170.786 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -69.134 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: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -997.979023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.979023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.979023 (E_RNA) where: Base-Base interactions energy: -433.567 where: short stacking energy: -386.477 Base-Backbone interact. energy: 0.988 local terms energy: -565.400439 where: bonds (distance) C4'-P energy: -170.701 bonds (distance) P-C4' energy: -138.285 flat angles C4'-P-C4' energy: -135.235 flat angles P-C4'-P energy: -90.534 tors. eta vs tors. theta energy: -30.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -916.663326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.663326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.663326 (E_RNA) where: Base-Base interactions energy: -405.891 where: short stacking energy: -340.093 Base-Backbone interact. energy: 0.292 local terms energy: -511.064355 where: bonds (distance) C4'-P energy: -152.333 bonds (distance) P-C4' energy: -142.434 flat angles C4'-P-C4' energy: -132.480 flat angles P-C4'-P energy: -84.247 tors. eta vs tors. theta energy: 0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -890.764019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.764019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.764019 (E_RNA) where: Base-Base interactions energy: -377.982 where: short stacking energy: -320.317 Base-Backbone interact. energy: 1.219 local terms energy: -514.000755 where: bonds (distance) C4'-P energy: -142.070 bonds (distance) P-C4' energy: -156.786 flat angles C4'-P-C4' energy: -142.281 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -767.313892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.313892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.313892 (E_RNA) where: Base-Base interactions energy: -305.302 where: short stacking energy: -267.537 Base-Backbone interact. energy: 16.246 local terms energy: -478.257555 where: bonds (distance) C4'-P energy: -141.265 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -131.982 flat angles P-C4'-P energy: -69.469 tors. eta vs tors. theta energy: 17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2425.574063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.574063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.574063 (E_RNA) where: Base-Base interactions energy: -1473.580 where: short stacking energy: -937.916 Base-Backbone interact. energy: -2.992 local terms energy: -949.001605 where: bonds (distance) C4'-P energy: -178.898 bonds (distance) P-C4' energy: -187.818 flat angles C4'-P-C4' energy: -202.982 flat angles P-C4'-P energy: -139.758 tors. eta vs tors. theta energy: -239.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2107.160429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.160429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.160429 (E_RNA) where: Base-Base interactions energy: -1262.553 where: short stacking energy: -805.690 Base-Backbone interact. energy: -1.958 local terms energy: -842.649555 where: bonds (distance) C4'-P energy: -167.096 bonds (distance) P-C4' energy: -166.047 flat angles C4'-P-C4' energy: -196.163 flat angles P-C4'-P energy: -133.149 tors. eta vs tors. theta energy: -180.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1968.643209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.643209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.643209 (E_RNA) where: Base-Base interactions energy: -1143.045 where: short stacking energy: -769.235 Base-Backbone interact. energy: 0.562 local terms energy: -826.160512 where: bonds (distance) C4'-P energy: -171.833 bonds (distance) P-C4' energy: -173.576 flat angles C4'-P-C4' energy: -189.309 flat angles P-C4'-P energy: -109.245 tors. eta vs tors. theta energy: -182.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1783.600729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.600729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.600729 (E_RNA) where: Base-Base interactions energy: -1038.634 where: short stacking energy: -639.086 Base-Backbone interact. energy: -2.790 local terms energy: -742.176538 where: bonds (distance) C4'-P energy: -148.741 bonds (distance) P-C4' energy: -182.107 flat angles C4'-P-C4' energy: -174.767 flat angles P-C4'-P energy: -113.551 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: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1590.678169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.678169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.678169 (E_RNA) where: Base-Base interactions energy: -894.712 where: short stacking energy: -588.666 Base-Backbone interact. energy: -1.742 local terms energy: -694.224328 where: bonds (distance) C4'-P energy: -162.655 bonds (distance) P-C4' energy: -158.634 flat angles C4'-P-C4' energy: -182.929 flat angles P-C4'-P energy: -92.349 tors. eta vs tors. theta energy: -97.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1384.167198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.167198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.167198 (E_RNA) where: Base-Base interactions energy: -728.295 where: short stacking energy: -519.548 Base-Backbone interact. energy: -1.151 local terms energy: -654.720860 where: bonds (distance) C4'-P energy: -150.524 bonds (distance) P-C4' energy: -172.546 flat angles C4'-P-C4' energy: -173.281 flat angles P-C4'-P energy: -85.175 tors. eta vs tors. theta energy: -73.194 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: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1062.131707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.131707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.131707 (E_RNA) where: Base-Base interactions energy: -493.811 where: short stacking energy: -398.754 Base-Backbone interact. energy: 1.053 local terms energy: -569.374076 where: bonds (distance) C4'-P energy: -155.113 bonds (distance) P-C4' energy: -163.397 flat angles C4'-P-C4' energy: -159.511 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -20.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -926.847325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.847325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.847325 (E_RNA) where: Base-Base interactions energy: -370.806 where: short stacking energy: -337.142 Base-Backbone interact. energy: -0.044 local terms energy: -555.997482 where: bonds (distance) C4'-P energy: -157.844 bonds (distance) P-C4' energy: -142.345 flat angles C4'-P-C4' energy: -156.349 flat angles P-C4'-P energy: -91.207 tors. eta vs tors. theta energy: -8.253 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: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -833.085755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.085755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.085755 (E_RNA) where: Base-Base interactions energy: -340.134 where: short stacking energy: -288.680 Base-Backbone interact. energy: 4.747 local terms energy: -497.699525 where: bonds (distance) C4'-P energy: -127.074 bonds (distance) P-C4' energy: -155.214 flat angles C4'-P-C4' energy: -142.326 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: 3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -778.952458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.952458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.952458 (E_RNA) where: Base-Base interactions energy: -289.447 where: short stacking energy: -262.375 Base-Backbone interact. energy: 2.251 local terms energy: -491.756366 where: bonds (distance) C4'-P energy: -130.940 bonds (distance) P-C4' energy: -164.816 flat angles C4'-P-C4' energy: -134.690 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: 5.067 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: 1 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2420.728984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.728984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.728984 (E_RNA) where: Base-Base interactions energy: -1476.602 where: short stacking energy: -998.486 Base-Backbone interact. energy: -1.501 local terms energy: -942.625886 where: bonds (distance) C4'-P energy: -175.244 bonds (distance) P-C4' energy: -186.159 flat angles C4'-P-C4' energy: -201.365 flat angles P-C4'-P energy: -144.802 tors. eta vs tors. theta energy: -235.056 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: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2197.364757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.364757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.364757 (E_RNA) where: Base-Base interactions energy: -1327.568 where: short stacking energy: -854.162 Base-Backbone interact. energy: -1.472 local terms energy: -868.324785 where: bonds (distance) C4'-P energy: -150.629 bonds (distance) P-C4' energy: -185.867 flat angles C4'-P-C4' energy: -201.524 flat angles P-C4'-P energy: -125.377 tors. eta vs tors. theta energy: -204.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1957.158982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.158982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.158982 (E_RNA) where: Base-Base interactions energy: -1095.600 where: short stacking energy: -731.891 Base-Backbone interact. energy: 1.327 local terms energy: -862.885628 where: bonds (distance) C4'-P energy: -170.175 bonds (distance) P-C4' energy: -200.299 flat angles C4'-P-C4' energy: -197.361 flat angles P-C4'-P energy: -117.546 tors. eta vs tors. theta energy: -177.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1775.365468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.365468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.365468 (E_RNA) where: Base-Base interactions energy: -1005.310 where: short stacking energy: -667.143 Base-Backbone interact. energy: -3.877 local terms energy: -766.178566 where: bonds (distance) C4'-P energy: -156.954 bonds (distance) P-C4' energy: -178.462 flat angles C4'-P-C4' energy: -188.804 flat angles P-C4'-P energy: -106.328 tors. eta vs tors. theta energy: -135.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1640.083354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.083354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.083354 (E_RNA) where: Base-Base interactions energy: -940.275 where: short stacking energy: -622.982 Base-Backbone interact. energy: 2.920 local terms energy: -702.727866 where: bonds (distance) C4'-P energy: -153.134 bonds (distance) P-C4' energy: -179.041 flat angles C4'-P-C4' energy: -148.715 flat angles P-C4'-P energy: -108.328 tors. eta vs tors. theta energy: -113.510 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: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1317.056087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.056087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.056087 (E_RNA) where: Base-Base interactions energy: -680.803 where: short stacking energy: -505.138 Base-Backbone interact. energy: -0.707 local terms energy: -635.545656 where: bonds (distance) C4'-P energy: -154.198 bonds (distance) P-C4' energy: -171.244 flat angles C4'-P-C4' energy: -158.968 flat angles P-C4'-P energy: -97.187 tors. eta vs tors. theta energy: -53.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1164.568497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.568497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.568497 (E_RNA) where: Base-Base interactions energy: -561.469 where: short stacking energy: -487.088 Base-Backbone interact. energy: -5.038 local terms energy: -598.061589 where: bonds (distance) C4'-P energy: -144.788 bonds (distance) P-C4' energy: -164.259 flat angles C4'-P-C4' energy: -159.338 flat angles P-C4'-P energy: -71.880 tors. eta vs tors. theta energy: -57.797 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: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -940.250181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.250181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.250181 (E_RNA) where: Base-Base interactions energy: -417.329 where: short stacking energy: -370.697 Base-Backbone interact. energy: -2.517 local terms energy: -520.403636 where: bonds (distance) C4'-P energy: -139.271 bonds (distance) P-C4' energy: -157.538 flat angles C4'-P-C4' energy: -133.732 flat angles P-C4'-P energy: -74.445 tors. eta vs tors. theta energy: -15.417 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: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -870.550330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.550330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.550330 (E_RNA) where: Base-Base interactions energy: -397.575 where: short stacking energy: -304.521 Base-Backbone interact. energy: 0.652 local terms energy: -473.627346 where: bonds (distance) C4'-P energy: -156.361 bonds (distance) P-C4' energy: -123.883 flat angles C4'-P-C4' energy: -140.386 flat angles P-C4'-P energy: -77.867 tors. eta vs tors. theta energy: 24.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -756.859185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.859185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.859185 (E_RNA) where: Base-Base interactions energy: -282.650 where: short stacking energy: -244.767 Base-Backbone interact. energy: 4.208 local terms energy: -478.417468 where: bonds (distance) C4'-P energy: -161.657 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -134.727 flat angles P-C4'-P energy: -59.846 tors. eta vs tors. theta energy: 23.766 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: 1 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2398.603049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.603049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.603049 (E_RNA) where: Base-Base interactions energy: -1475.270 where: short stacking energy: -965.595 Base-Backbone interact. energy: -1.619 local terms energy: -921.713953 where: bonds (distance) C4'-P energy: -185.182 bonds (distance) P-C4' energy: -172.053 flat angles C4'-P-C4' energy: -203.547 flat angles P-C4'-P energy: -122.751 tors. eta vs tors. theta energy: -238.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2216.886138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.886138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.886138 (E_RNA) where: Base-Base interactions energy: -1339.136 where: short stacking energy: -844.886 Base-Backbone interact. energy: -5.030 local terms energy: -872.719777 where: bonds (distance) C4'-P energy: -178.257 bonds (distance) P-C4' energy: -184.647 flat angles C4'-P-C4' energy: -197.197 flat angles P-C4'-P energy: -106.927 tors. eta vs tors. theta energy: -205.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1942.421964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.421964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.421964 (E_RNA) where: Base-Base interactions energy: -1144.289 where: short stacking energy: -759.840 Base-Backbone interact. energy: -2.243 local terms energy: -795.890215 where: bonds (distance) C4'-P energy: -171.997 bonds (distance) P-C4' energy: -174.247 flat angles C4'-P-C4' energy: -175.120 flat angles P-C4'-P energy: -118.125 tors. eta vs tors. theta energy: -156.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1814.012996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.012996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.012996 (E_RNA) where: Base-Base interactions energy: -1048.135 where: short stacking energy: -669.693 Base-Backbone interact. energy: -0.944 local terms energy: -764.934242 where: bonds (distance) C4'-P energy: -173.114 bonds (distance) P-C4' energy: -167.237 flat angles C4'-P-C4' energy: -190.474 flat angles P-C4'-P energy: -111.996 tors. eta vs tors. theta energy: -122.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1607.884984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.884984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.884984 (E_RNA) where: Base-Base interactions energy: -917.835 where: short stacking energy: -578.610 Base-Backbone interact. energy: 9.300 local terms energy: -699.350035 where: bonds (distance) C4'-P energy: -160.826 bonds (distance) P-C4' energy: -170.817 flat angles C4'-P-C4' energy: -169.315 flat angles P-C4'-P energy: -96.385 tors. eta vs tors. theta energy: -102.006 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: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1293.422606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.422606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.422606 (E_RNA) where: Base-Base interactions energy: -634.860 where: short stacking energy: -459.550 Base-Backbone interact. energy: 7.996 local terms energy: -666.558631 where: bonds (distance) C4'-P energy: -149.306 bonds (distance) P-C4' energy: -184.790 flat angles C4'-P-C4' energy: -157.423 flat angles P-C4'-P energy: -116.586 tors. eta vs tors. theta energy: -58.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1059.824486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.824486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.824486 (E_RNA) where: Base-Base interactions energy: -483.298 where: short stacking energy: -397.482 Base-Backbone interact. energy: -0.061 local terms energy: -576.465250 where: bonds (distance) C4'-P energy: -149.163 bonds (distance) P-C4' energy: -178.038 flat angles C4'-P-C4' energy: -144.762 flat angles P-C4'-P energy: -86.055 tors. eta vs tors. theta energy: -18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -914.296849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.296849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.296849 (E_RNA) where: Base-Base interactions energy: -399.144 where: short stacking energy: -364.613 Base-Backbone interact. energy: 3.126 local terms energy: -518.278812 where: bonds (distance) C4'-P energy: -123.911 bonds (distance) P-C4' energy: -149.047 flat angles C4'-P-C4' energy: -154.617 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -823.565907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.565907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.565907 (E_RNA) where: Base-Base interactions energy: -359.218 where: short stacking energy: -290.394 Base-Backbone interact. energy: -3.121 local terms energy: -461.226991 where: bonds (distance) C4'-P energy: -143.510 bonds (distance) P-C4' energy: -147.231 flat angles C4'-P-C4' energy: -112.546 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: 10.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -802.224376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.224376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.224376 (E_RNA) where: Base-Base interactions energy: -325.551 where: short stacking energy: -300.755 Base-Backbone interact. energy: 3.931 local terms energy: -480.604413 where: bonds (distance) C4'-P energy: -140.425 bonds (distance) P-C4' energy: -156.349 flat angles C4'-P-C4' energy: -143.438 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: 14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2368.247333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.247333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.247333 (E_RNA) where: Base-Base interactions energy: -1453.909 where: short stacking energy: -896.077 Base-Backbone interact. energy: -3.109 local terms energy: -911.229309 where: bonds (distance) C4'-P energy: -182.066 bonds (distance) P-C4' energy: -189.511 flat angles C4'-P-C4' energy: -205.923 flat angles P-C4'-P energy: -124.708 tors. eta vs tors. theta energy: -209.022 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: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2219.929988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.929988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.929988 (E_RNA) where: Base-Base interactions energy: -1351.557 where: short stacking energy: -848.518 Base-Backbone interact. energy: -3.053 local terms energy: -865.320422 where: bonds (distance) C4'-P energy: -169.229 bonds (distance) P-C4' energy: -175.805 flat angles C4'-P-C4' energy: -187.292 flat angles P-C4'-P energy: -117.896 tors. eta vs tors. theta energy: -215.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1995.036089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.036089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.036089 (E_RNA) where: Base-Base interactions energy: -1178.637 where: short stacking energy: -796.176 Base-Backbone interact. energy: -1.730 local terms energy: -814.669227 where: bonds (distance) C4'-P energy: -162.947 bonds (distance) P-C4' energy: -170.092 flat angles C4'-P-C4' energy: -172.449 flat angles P-C4'-P energy: -118.892 tors. eta vs tors. theta energy: -190.289 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: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1846.424431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.424431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.424431 (E_RNA) where: Base-Base interactions energy: -1068.258 where: short stacking energy: -701.670 Base-Backbone interact. energy: -2.489 local terms energy: -775.677193 where: bonds (distance) C4'-P energy: -169.833 bonds (distance) P-C4' energy: -179.901 flat angles C4'-P-C4' energy: -173.718 flat angles P-C4'-P energy: -104.469 tors. eta vs tors. theta energy: -147.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1591.676150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.676150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.676150 (E_RNA) where: Base-Base interactions energy: -905.902 where: short stacking energy: -584.909 Base-Backbone interact. energy: 0.245 local terms energy: -686.019338 where: bonds (distance) C4'-P energy: -167.414 bonds (distance) P-C4' energy: -163.870 flat angles C4'-P-C4' energy: -150.732 flat angles P-C4'-P energy: -115.366 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: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1296.591755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.591755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.591755 (E_RNA) where: Base-Base interactions energy: -662.533 where: short stacking energy: -516.924 Base-Backbone interact. energy: -3.747 local terms energy: -630.311388 where: bonds (distance) C4'-P energy: -160.711 bonds (distance) P-C4' energy: -143.044 flat angles C4'-P-C4' energy: -164.119 flat angles P-C4'-P energy: -94.656 tors. eta vs tors. theta energy: -67.781 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: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1024.689442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.689442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.689442 (E_RNA) where: Base-Base interactions energy: -493.095 where: short stacking energy: -390.627 Base-Backbone interact. energy: 2.083 local terms energy: -533.677985 where: bonds (distance) C4'-P energy: -146.145 bonds (distance) P-C4' energy: -148.672 flat angles C4'-P-C4' energy: -132.220 flat angles P-C4'-P energy: -94.581 tors. eta vs tors. theta energy: -12.060 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: 66 Temperature: 1.250000 Total energy: -965.770358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.770358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.770358 (E_RNA) where: Base-Base interactions energy: -427.134 where: short stacking energy: -344.464 Base-Backbone interact. energy: 1.010 local terms energy: -539.646930 where: bonds (distance) C4'-P energy: -140.625 bonds (distance) P-C4' energy: -164.249 flat angles C4'-P-C4' energy: -141.538 flat angles P-C4'-P energy: -97.281 tors. eta vs tors. theta energy: 4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -900.482973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.482973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.482973 (E_RNA) where: Base-Base interactions energy: -367.628 where: short stacking energy: -319.403 Base-Backbone interact. energy: 2.144 local terms energy: -534.999394 where: bonds (distance) C4'-P energy: -160.893 bonds (distance) P-C4' energy: -139.846 flat angles C4'-P-C4' energy: -148.008 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -744.215088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.215088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.215088 (E_RNA) where: Base-Base interactions energy: -292.218 where: short stacking energy: -273.708 Base-Backbone interact. energy: 8.030 local terms energy: -460.026977 where: bonds (distance) C4'-P energy: -137.521 bonds (distance) P-C4' energy: -143.817 flat angles C4'-P-C4' energy: -112.907 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: 17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2367.789241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.789241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.789241 (E_RNA) where: Base-Base interactions energy: -1455.255 where: short stacking energy: -942.768 Base-Backbone interact. energy: -0.050 local terms energy: -912.484685 where: bonds (distance) C4'-P energy: -178.368 bonds (distance) P-C4' energy: -177.404 flat angles C4'-P-C4' energy: -201.521 flat angles P-C4'-P energy: -120.849 tors. eta vs tors. theta energy: -234.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2206.938192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.938192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.938192 (E_RNA) where: Base-Base interactions energy: -1350.971 where: short stacking energy: -830.633 Base-Backbone interact. energy: -1.519 local terms energy: -854.448049 where: bonds (distance) C4'-P energy: -178.808 bonds (distance) P-C4' energy: -166.491 flat angles C4'-P-C4' energy: -194.067 flat angles P-C4'-P energy: -117.664 tors. eta vs tors. theta energy: -197.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2013.574156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.574156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.574156 (E_RNA) where: Base-Base interactions energy: -1189.847 where: short stacking energy: -754.691 Base-Backbone interact. energy: -0.830 local terms energy: -822.897206 where: bonds (distance) C4'-P energy: -160.367 bonds (distance) P-C4' energy: -181.236 flat angles C4'-P-C4' energy: -183.441 flat angles P-C4'-P energy: -130.803 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: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1845.173320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.173320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.173320 (E_RNA) where: Base-Base interactions energy: -1016.455 where: short stacking energy: -672.471 Base-Backbone interact. energy: -6.291 local terms energy: -822.426859 where: bonds (distance) C4'-P energy: -184.771 bonds (distance) P-C4' energy: -182.693 flat angles C4'-P-C4' energy: -189.109 flat angles P-C4'-P energy: -122.057 tors. eta vs tors. theta energy: -143.797 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1650.125383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.125383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.125383 (E_RNA) where: Base-Base interactions energy: -949.231 where: short stacking energy: -578.019 Base-Backbone interact. energy: -3.206 local terms energy: -697.688831 where: bonds (distance) C4'-P energy: -160.815 bonds (distance) P-C4' energy: -156.173 flat angles C4'-P-C4' energy: -165.184 flat angles P-C4'-P energy: -108.368 tors. eta vs tors. theta energy: -107.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1264.118180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.118180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.118180 (E_RNA) where: Base-Base interactions energy: -584.783 where: short stacking energy: -489.724 Base-Backbone interact. energy: -2.045 local terms energy: -677.290351 where: bonds (distance) C4'-P energy: -173.370 bonds (distance) P-C4' energy: -178.607 flat angles C4'-P-C4' energy: -146.421 flat angles P-C4'-P energy: -100.353 tors. eta vs tors. theta energy: -78.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1081.560653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.560653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.560653 (E_RNA) where: Base-Base interactions energy: -522.734 where: short stacking energy: -408.279 Base-Backbone interact. energy: -5.622 local terms energy: -553.204895 where: bonds (distance) C4'-P energy: -146.562 bonds (distance) P-C4' energy: -133.763 flat angles C4'-P-C4' energy: -154.270 flat angles P-C4'-P energy: -91.140 tors. eta vs tors. theta energy: -27.471 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: 67 Temperature: 1.250000 Total energy: -951.852359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.852359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.852359 (E_RNA) where: Base-Base interactions energy: -395.015 where: short stacking energy: -345.567 Base-Backbone interact. energy: -2.171 local terms energy: -554.666890 where: bonds (distance) C4'-P energy: -144.014 bonds (distance) P-C4' energy: -174.513 flat angles C4'-P-C4' energy: -130.955 flat angles P-C4'-P energy: -87.404 tors. eta vs tors. theta energy: -17.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -829.051764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.051764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.051764 (E_RNA) where: Base-Base interactions energy: -372.149 where: short stacking energy: -339.373 Base-Backbone interact. energy: 8.996 local terms energy: -465.899693 where: bonds (distance) C4'-P energy: -119.050 bonds (distance) P-C4' energy: -172.092 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -73.987 tors. eta vs tors. theta energy: 18.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -741.459182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.459182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.459182 (E_RNA) where: Base-Base interactions energy: -266.180 where: short stacking energy: -223.653 Base-Backbone interact. energy: 6.948 local terms energy: -482.227538 where: bonds (distance) C4'-P energy: -144.321 bonds (distance) P-C4' energy: -157.891 flat angles C4'-P-C4' energy: -129.305 flat angles P-C4'-P energy: -76.529 tors. eta vs tors. theta energy: 25.818 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: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2423.635181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.635181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.635181 (E_RNA) where: Base-Base interactions energy: -1487.264 where: short stacking energy: -954.521 Base-Backbone interact. energy: -5.883 local terms energy: -930.487248 where: bonds (distance) C4'-P energy: -186.235 bonds (distance) P-C4' energy: -176.153 flat angles C4'-P-C4' energy: -198.495 flat angles P-C4'-P energy: -132.998 tors. eta vs tors. theta energy: -236.607 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: 68 Temperature: 0.950000 Total energy: -2201.928194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.928194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.928194 (E_RNA) where: Base-Base interactions energy: -1315.398 where: short stacking energy: -803.550 Base-Backbone interact. energy: -3.185 local terms energy: -883.344880 where: bonds (distance) C4'-P energy: -174.557 bonds (distance) P-C4' energy: -173.565 flat angles C4'-P-C4' energy: -198.975 flat angles P-C4'-P energy: -129.064 tors. eta vs tors. theta energy: -207.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1969.872791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.872791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.872791 (E_RNA) where: Base-Base interactions energy: -1176.065 where: short stacking energy: -772.124 Base-Backbone interact. energy: -3.414 local terms energy: -790.394082 where: bonds (distance) C4'-P energy: -152.802 bonds (distance) P-C4' energy: -164.981 flat angles C4'-P-C4' energy: -187.694 flat angles P-C4'-P energy: -120.387 tors. eta vs tors. theta energy: -164.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1815.460181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.460181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.460181 (E_RNA) where: Base-Base interactions energy: -1039.281 where: short stacking energy: -701.371 Base-Backbone interact. energy: -0.358 local terms energy: -775.821188 where: bonds (distance) C4'-P energy: -168.079 bonds (distance) P-C4' energy: -172.923 flat angles C4'-P-C4' energy: -187.187 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -138.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1648.833815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.833815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.833815 (E_RNA) where: Base-Base interactions energy: -928.878 where: short stacking energy: -601.537 Base-Backbone interact. energy: -2.397 local terms energy: -717.558705 where: bonds (distance) C4'-P energy: -142.619 bonds (distance) P-C4' energy: -192.243 flat angles C4'-P-C4' energy: -165.216 flat angles P-C4'-P energy: -118.280 tors. eta vs tors. theta energy: -99.200 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: 68 Temperature: 1.150000 Total energy: -1248.350526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.350526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.350526 (E_RNA) where: Base-Base interactions energy: -581.226 where: short stacking energy: -472.852 Base-Backbone interact. energy: 3.404 local terms energy: -670.528130 where: bonds (distance) C4'-P energy: -162.740 bonds (distance) P-C4' energy: -170.118 flat angles C4'-P-C4' energy: -169.654 flat angles P-C4'-P energy: -108.072 tors. eta vs tors. theta energy: -59.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1129.539260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.539260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.539260 (E_RNA) where: Base-Base interactions energy: -539.777 where: short stacking energy: -406.837 Base-Backbone interact. energy: 4.028 local terms energy: -593.789650 where: bonds (distance) C4'-P energy: -159.648 bonds (distance) P-C4' energy: -170.949 flat angles C4'-P-C4' energy: -143.991 flat angles P-C4'-P energy: -87.038 tors. eta vs tors. theta energy: -32.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -936.095305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.095305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.095305 (E_RNA) where: Base-Base interactions energy: -412.235 where: short stacking energy: -390.602 Base-Backbone interact. energy: 3.217 local terms energy: -527.076756 where: bonds (distance) C4'-P energy: -138.382 bonds (distance) P-C4' energy: -138.084 flat angles C4'-P-C4' energy: -141.769 flat angles P-C4'-P energy: -85.206 tors. eta vs tors. theta energy: -23.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -862.274055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.274055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.274055 (E_RNA) where: Base-Base interactions energy: -331.200 where: short stacking energy: -298.988 Base-Backbone interact. energy: -3.641 local terms energy: -527.433419 where: bonds (distance) C4'-P energy: -134.717 bonds (distance) P-C4' energy: -164.374 flat angles C4'-P-C4' energy: -128.747 flat angles P-C4'-P energy: -81.577 tors. eta vs tors. theta energy: -18.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -797.608063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.608063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.608063 (E_RNA) where: Base-Base interactions energy: -343.671 where: short stacking energy: -302.735 Base-Backbone interact. energy: 0.447 local terms energy: -454.383288 where: bonds (distance) C4'-P energy: -142.147 bonds (distance) P-C4' energy: -138.149 flat angles C4'-P-C4' energy: -126.131 flat angles P-C4'-P energy: -47.459 tors. eta vs tors. theta energy: -0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2391.255206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.255206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.255206 (E_RNA) where: Base-Base interactions energy: -1444.510 where: short stacking energy: -906.414 Base-Backbone interact. energy: -5.073 local terms energy: -941.671507 where: bonds (distance) C4'-P energy: -167.561 bonds (distance) P-C4' energy: -175.562 flat angles C4'-P-C4' energy: -219.405 flat angles P-C4'-P energy: -146.339 tors. eta vs tors. theta energy: -232.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2216.512105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.512105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.512105 (E_RNA) where: Base-Base interactions energy: -1347.952 where: short stacking energy: -834.641 Base-Backbone interact. energy: -1.685 local terms energy: -866.875115 where: bonds (distance) C4'-P energy: -160.129 bonds (distance) P-C4' energy: -180.825 flat angles C4'-P-C4' energy: -204.625 flat angles P-C4'-P energy: -121.325 tors. eta vs tors. theta energy: -199.970 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: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2019.051439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.051439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.051439 (E_RNA) where: Base-Base interactions energy: -1205.880 where: short stacking energy: -765.069 Base-Backbone interact. energy: -1.506 local terms energy: -811.665877 where: bonds (distance) C4'-P energy: -163.010 bonds (distance) P-C4' energy: -156.074 flat angles C4'-P-C4' energy: -189.405 flat angles P-C4'-P energy: -124.218 tors. eta vs tors. theta energy: -178.959 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: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1784.418880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.418880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.418880 (E_RNA) where: Base-Base interactions energy: -999.521 where: short stacking energy: -694.757 Base-Backbone interact. energy: -1.885 local terms energy: -783.013109 where: bonds (distance) C4'-P energy: -152.597 bonds (distance) P-C4' energy: -181.165 flat angles C4'-P-C4' energy: -182.656 flat angles P-C4'-P energy: -109.374 tors. eta vs tors. theta energy: -157.221 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: 69 Temperature: 1.100000 Total energy: -1655.752375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.752375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.752375 (E_RNA) where: Base-Base interactions energy: -920.306 where: short stacking energy: -631.996 Base-Backbone interact. energy: -2.450 local terms energy: -732.996316 where: bonds (distance) C4'-P energy: -160.622 bonds (distance) P-C4' energy: -173.688 flat angles C4'-P-C4' energy: -166.214 flat angles P-C4'-P energy: -101.153 tors. eta vs tors. theta energy: -131.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1201.828170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.828170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.828170 (E_RNA) where: Base-Base interactions energy: -538.705 where: short stacking energy: -440.967 Base-Backbone interact. energy: -2.006 local terms energy: -661.116922 where: bonds (distance) C4'-P energy: -170.129 bonds (distance) P-C4' energy: -167.294 flat angles C4'-P-C4' energy: -181.621 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -57.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1179.377763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.377763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.377763 (E_RNA) where: Base-Base interactions energy: -587.094 where: short stacking energy: -435.809 Base-Backbone interact. energy: -3.214 local terms energy: -589.070309 where: bonds (distance) C4'-P energy: -131.354 bonds (distance) P-C4' energy: -158.354 flat angles C4'-P-C4' energy: -152.824 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -51.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -914.262867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.262867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.262867 (E_RNA) where: Base-Base interactions energy: -383.002 where: short stacking energy: -305.684 Base-Backbone interact. energy: -0.001 local terms energy: -531.259117 where: bonds (distance) C4'-P energy: -132.482 bonds (distance) P-C4' energy: -162.084 flat angles C4'-P-C4' energy: -156.277 flat angles P-C4'-P energy: -66.820 tors. eta vs tors. theta energy: -13.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -863.157858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.157858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.157858 (E_RNA) where: Base-Base interactions energy: -356.903 where: short stacking energy: -293.933 Base-Backbone interact. energy: -4.958 local terms energy: -501.297184 where: bonds (distance) C4'-P energy: -132.589 bonds (distance) P-C4' energy: -161.885 flat angles C4'-P-C4' energy: -113.505 flat angles P-C4'-P energy: -95.649 tors. eta vs tors. theta energy: 2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -783.070051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.070051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.070051 (E_RNA) where: Base-Base interactions energy: -310.960 where: short stacking energy: -299.543 Base-Backbone interact. energy: -5.713 local terms energy: -466.396827 where: bonds (distance) C4'-P energy: -138.103 bonds (distance) P-C4' energy: -142.386 flat angles C4'-P-C4' energy: -118.862 flat angles P-C4'-P energy: -66.830 tors. eta vs tors. theta energy: -0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2373.788288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.788288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.788288 (E_RNA) where: Base-Base interactions energy: -1438.555 where: short stacking energy: -920.360 Base-Backbone interact. energy: -1.450 local terms energy: -933.783378 where: bonds (distance) C4'-P energy: -182.509 bonds (distance) P-C4' energy: -189.521 flat angles C4'-P-C4' energy: -198.122 flat angles P-C4'-P energy: -128.580 tors. eta vs tors. theta energy: -235.052 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: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2173.666823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.666823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.666823 (E_RNA) where: Base-Base interactions energy: -1302.223 where: short stacking energy: -826.225 Base-Backbone interact. energy: -0.840 local terms energy: -870.603519 where: bonds (distance) C4'-P energy: -178.357 bonds (distance) P-C4' energy: -188.961 flat angles C4'-P-C4' energy: -198.515 flat angles P-C4'-P energy: -118.783 tors. eta vs tors. theta energy: -185.987 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: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2044.428406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.428406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.428406 (E_RNA) where: Base-Base interactions energy: -1172.823 where: short stacking energy: -767.220 Base-Backbone interact. energy: 1.756 local terms energy: -873.361234 where: bonds (distance) C4'-P energy: -175.644 bonds (distance) P-C4' energy: -182.457 flat angles C4'-P-C4' energy: -196.259 flat angles P-C4'-P energy: -131.691 tors. eta vs tors. theta energy: -187.310 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: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1725.151087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.151087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.151087 (E_RNA) where: Base-Base interactions energy: -956.652 where: short stacking energy: -649.782 Base-Backbone interact. energy: -0.353 local terms energy: -768.146590 where: bonds (distance) C4'-P energy: -178.663 bonds (distance) P-C4' energy: -187.768 flat angles C4'-P-C4' energy: -183.132 flat angles P-C4'-P energy: -95.686 tors. eta vs tors. theta energy: -122.898 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: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1633.979578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.979578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.979578 (E_RNA) where: Base-Base interactions energy: -920.319 where: short stacking energy: -634.913 Base-Backbone interact. energy: 3.496 local terms energy: -717.156485 where: bonds (distance) C4'-P energy: -154.969 bonds (distance) P-C4' energy: -163.410 flat angles C4'-P-C4' energy: -170.865 flat angles P-C4'-P energy: -105.294 tors. eta vs tors. theta energy: -122.619 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: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1229.123971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.123971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.123971 (E_RNA) where: Base-Base interactions energy: -610.067 where: short stacking energy: -448.800 Base-Backbone interact. energy: -1.544 local terms energy: -617.512168 where: bonds (distance) C4'-P energy: -142.434 bonds (distance) P-C4' energy: -159.857 flat angles C4'-P-C4' energy: -155.119 flat angles P-C4'-P energy: -98.142 tors. eta vs tors. theta energy: -61.961 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: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1201.001595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.001595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.001595 (E_RNA) where: Base-Base interactions energy: -636.098 where: short stacking energy: -450.082 Base-Backbone interact. energy: 0.631 local terms energy: -565.534901 where: bonds (distance) C4'-P energy: -157.293 bonds (distance) P-C4' energy: -163.552 flat angles C4'-P-C4' energy: -143.543 flat angles P-C4'-P energy: -74.938 tors. eta vs tors. theta energy: -26.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -996.296842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.296842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.296842 (E_RNA) where: Base-Base interactions energy: -427.229 where: short stacking energy: -383.319 Base-Backbone interact. energy: -0.964 local terms energy: -568.104088 where: bonds (distance) C4'-P energy: -146.025 bonds (distance) P-C4' energy: -158.470 flat angles C4'-P-C4' energy: -153.726 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: -32.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -793.741758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.741758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.741758 (E_RNA) where: Base-Base interactions energy: -317.456 where: short stacking energy: -265.556 Base-Backbone interact. energy: -2.043 local terms energy: -474.243206 where: bonds (distance) C4'-P energy: -137.733 bonds (distance) P-C4' energy: -142.078 flat angles C4'-P-C4' energy: -120.724 flat angles P-C4'-P energy: -93.293 tors. eta vs tors. theta energy: 19.586 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: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -759.100037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.100037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.100037 (E_RNA) where: Base-Base interactions energy: -299.679 where: short stacking energy: -277.246 Base-Backbone interact. energy: -0.355 local terms energy: -459.065157 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -174.940 flat angles C4'-P-C4' energy: -111.512 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: 8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2406.605875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.605875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.605875 (E_RNA) where: Base-Base interactions energy: -1450.177 where: short stacking energy: -944.550 Base-Backbone interact. energy: -4.855 local terms energy: -951.573852 where: bonds (distance) C4'-P energy: -181.628 bonds (distance) P-C4' energy: -187.188 flat angles C4'-P-C4' energy: -210.644 flat angles P-C4'-P energy: -142.007 tors. eta vs tors. theta energy: -230.108 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: 71 Temperature: 0.950000 Total energy: -2194.441832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.441832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.441832 (E_RNA) where: Base-Base interactions energy: -1296.769 where: short stacking energy: -842.874 Base-Backbone interact. energy: -5.242 local terms energy: -892.430325 where: bonds (distance) C4'-P energy: -176.791 bonds (distance) P-C4' energy: -173.226 flat angles C4'-P-C4' energy: -205.652 flat angles P-C4'-P energy: -131.609 tors. eta vs tors. theta energy: -205.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2015.069526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.069526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.069526 (E_RNA) where: Base-Base interactions energy: -1170.412 where: short stacking energy: -769.893 Base-Backbone interact. energy: -3.743 local terms energy: -840.914885 where: bonds (distance) C4'-P energy: -165.804 bonds (distance) P-C4' energy: -172.405 flat angles C4'-P-C4' energy: -186.045 flat angles P-C4'-P energy: -140.987 tors. eta vs tors. theta energy: -175.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1824.918499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.918499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.918499 (E_RNA) where: Base-Base interactions energy: -1045.593 where: short stacking energy: -708.892 Base-Backbone interact. energy: 0.749 local terms energy: -780.074361 where: bonds (distance) C4'-P energy: -146.334 bonds (distance) P-C4' energy: -179.062 flat angles C4'-P-C4' energy: -182.237 flat angles P-C4'-P energy: -117.102 tors. eta vs tors. theta energy: -155.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1702.444509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.444509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.444509 (E_RNA) where: Base-Base interactions energy: -951.424 where: short stacking energy: -646.582 Base-Backbone interact. energy: 0.528 local terms energy: -751.547993 where: bonds (distance) C4'-P energy: -179.160 bonds (distance) P-C4' energy: -167.171 flat angles C4'-P-C4' energy: -167.269 flat angles P-C4'-P energy: -99.153 tors. eta vs tors. theta energy: -138.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1254.574831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.574831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.574831 (E_RNA) where: Base-Base interactions energy: -617.470 where: short stacking energy: -467.100 Base-Backbone interact. energy: -2.927 local terms energy: -634.177708 where: bonds (distance) C4'-P energy: -143.190 bonds (distance) P-C4' energy: -168.165 flat angles C4'-P-C4' energy: -161.856 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -56.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1143.400280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.400280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.400280 (E_RNA) where: Base-Base interactions energy: -541.189 where: short stacking energy: -418.330 Base-Backbone interact. energy: -4.195 local terms energy: -598.016588 where: bonds (distance) C4'-P energy: -152.050 bonds (distance) P-C4' energy: -142.938 flat angles C4'-P-C4' energy: -154.208 flat angles P-C4'-P energy: -85.982 tors. eta vs tors. theta energy: -62.838 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: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -971.530281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.530281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.530281 (E_RNA) where: Base-Base interactions energy: -420.212 where: short stacking energy: -366.223 Base-Backbone interact. energy: 4.878 local terms energy: -556.196322 where: bonds (distance) C4'-P energy: -128.321 bonds (distance) P-C4' energy: -159.465 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -95.323 tors. eta vs tors. theta energy: -29.546 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: 71 Temperature: 1.300000 Total energy: -889.356032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.356032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.356032 (E_RNA) where: Base-Base interactions energy: -415.894 where: short stacking energy: -342.906 Base-Backbone interact. energy: 2.548 local terms energy: -476.009569 where: bonds (distance) C4'-P energy: -147.109 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -62.228 tors. eta vs tors. theta energy: 8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -749.410379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.410379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.410379 (E_RNA) where: Base-Base interactions energy: -289.276 where: short stacking energy: -256.144 Base-Backbone interact. energy: 0.589 local terms energy: -460.724203 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -150.210 flat angles C4'-P-C4' energy: -124.455 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: 17.867 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: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2361.226490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.226490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.226490 (E_RNA) where: Base-Base interactions energy: -1437.891 where: short stacking energy: -931.079 Base-Backbone interact. energy: -3.217 local terms energy: -920.118804 where: bonds (distance) C4'-P energy: -176.773 bonds (distance) P-C4' energy: -185.407 flat angles C4'-P-C4' energy: -203.974 flat angles P-C4'-P energy: -125.900 tors. eta vs tors. theta energy: -228.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2259.313620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.313620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.313620 (E_RNA) where: Base-Base interactions energy: -1377.292 where: short stacking energy: -864.287 Base-Backbone interact. energy: -1.576 local terms energy: -880.445315 where: bonds (distance) C4'-P energy: -163.224 bonds (distance) P-C4' energy: -176.123 flat angles C4'-P-C4' energy: -200.502 flat angles P-C4'-P energy: -134.747 tors. eta vs tors. theta energy: -205.850 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: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2012.880211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.880211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.880211 (E_RNA) where: Base-Base interactions energy: -1186.747 where: short stacking energy: -765.397 Base-Backbone interact. energy: -2.213 local terms energy: -823.919760 where: bonds (distance) C4'-P energy: -159.376 bonds (distance) P-C4' energy: -167.660 flat angles C4'-P-C4' energy: -186.927 flat angles P-C4'-P energy: -120.289 tors. eta vs tors. theta energy: -189.668 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: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1798.927427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.927427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.927427 (E_RNA) where: Base-Base interactions energy: -1026.343 where: short stacking energy: -699.512 Base-Backbone interact. energy: -0.239 local terms energy: -772.345824 where: bonds (distance) C4'-P energy: -157.828 bonds (distance) P-C4' energy: -192.953 flat angles C4'-P-C4' energy: -170.132 flat angles P-C4'-P energy: -109.118 tors. eta vs tors. theta energy: -142.315 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: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1600.438810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.438810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.438810 (E_RNA) where: Base-Base interactions energy: -894.427 where: short stacking energy: -565.215 Base-Backbone interact. energy: 3.700 local terms energy: -709.711907 where: bonds (distance) C4'-P energy: -151.648 bonds (distance) P-C4' energy: -183.303 flat angles C4'-P-C4' energy: -177.779 flat angles P-C4'-P energy: -110.229 tors. eta vs tors. theta energy: -86.753 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: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1261.425006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.425006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.425006 (E_RNA) where: Base-Base interactions energy: -611.212 where: short stacking energy: -468.250 Base-Backbone interact. energy: -1.182 local terms energy: -649.031240 where: bonds (distance) C4'-P energy: -171.037 bonds (distance) P-C4' energy: -171.723 flat angles C4'-P-C4' energy: -146.129 flat angles P-C4'-P energy: -92.358 tors. eta vs tors. theta energy: -67.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1165.175363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.175363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.175363 (E_RNA) where: Base-Base interactions energy: -598.174 where: short stacking energy: -453.306 Base-Backbone interact. energy: 2.596 local terms energy: -569.597959 where: bonds (distance) C4'-P energy: -127.039 bonds (distance) P-C4' energy: -151.095 flat angles C4'-P-C4' energy: -165.955 flat angles P-C4'-P energy: -73.785 tors. eta vs tors. theta energy: -51.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -977.619156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.619156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.619156 (E_RNA) where: Base-Base interactions energy: -428.938 where: short stacking energy: -353.967 Base-Backbone interact. energy: -0.094 local terms energy: -548.587505 where: bonds (distance) C4'-P energy: -164.870 bonds (distance) P-C4' energy: -141.211 flat angles C4'-P-C4' energy: -119.952 flat angles P-C4'-P energy: -91.108 tors. eta vs tors. theta energy: -31.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -848.755350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.755350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.755350 (E_RNA) where: Base-Base interactions energy: -335.929 where: short stacking energy: -286.552 Base-Backbone interact. energy: -0.870 local terms energy: -511.956130 where: bonds (distance) C4'-P energy: -163.130 bonds (distance) P-C4' energy: -145.109 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -88.062 tors. eta vs tors. theta energy: 2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -755.293603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.293603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.293603 (E_RNA) where: Base-Base interactions energy: -292.292 where: short stacking energy: -274.875 Base-Backbone interact. energy: 2.449 local terms energy: -465.450416 where: bonds (distance) C4'-P energy: -135.629 bonds (distance) P-C4' energy: -138.704 flat angles C4'-P-C4' energy: -136.175 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: 4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2300.632305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.632305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.632305 (E_RNA) where: Base-Base interactions energy: -1391.782 where: short stacking energy: -880.548 Base-Backbone interact. energy: -0.216 local terms energy: -908.633711 where: bonds (distance) C4'-P energy: -175.083 bonds (distance) P-C4' energy: -189.651 flat angles C4'-P-C4' energy: -205.235 flat angles P-C4'-P energy: -135.119 tors. eta vs tors. theta energy: -203.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2224.890784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.890784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.890784 (E_RNA) where: Base-Base interactions energy: -1345.854 where: short stacking energy: -856.865 Base-Backbone interact. energy: -3.936 local terms energy: -875.100917 where: bonds (distance) C4'-P energy: -163.466 bonds (distance) P-C4' energy: -181.845 flat angles C4'-P-C4' energy: -205.751 flat angles P-C4'-P energy: -130.273 tors. eta vs tors. theta energy: -193.766 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: 73 Temperature: 1.000000 Total energy: -2007.090998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.090998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.090998 (E_RNA) where: Base-Base interactions energy: -1219.807 where: short stacking energy: -761.742 Base-Backbone interact. energy: -3.081 local terms energy: -784.203225 where: bonds (distance) C4'-P energy: -159.006 bonds (distance) P-C4' energy: -170.198 flat angles C4'-P-C4' energy: -170.719 flat angles P-C4'-P energy: -110.096 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: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1799.501714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.501714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.501714 (E_RNA) where: Base-Base interactions energy: -1038.340 where: short stacking energy: -666.819 Base-Backbone interact. energy: 1.861 local terms energy: -763.022717 where: bonds (distance) C4'-P energy: -150.885 bonds (distance) P-C4' energy: -183.157 flat angles C4'-P-C4' energy: -180.476 flat angles P-C4'-P energy: -119.731 tors. eta vs tors. theta energy: -128.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1559.451497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.451497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.451497 (E_RNA) where: Base-Base interactions energy: -851.222 where: short stacking energy: -576.107 Base-Backbone interact. energy: 1.961 local terms energy: -710.190368 where: bonds (distance) C4'-P energy: -147.320 bonds (distance) P-C4' energy: -170.403 flat angles C4'-P-C4' energy: -177.193 flat angles P-C4'-P energy: -118.678 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: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1329.384936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.384936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.384936 (E_RNA) where: Base-Base interactions energy: -645.270 where: short stacking energy: -500.968 Base-Backbone interact. energy: -2.410 local terms energy: -681.704838 where: bonds (distance) C4'-P energy: -168.819 bonds (distance) P-C4' energy: -175.605 flat angles C4'-P-C4' energy: -160.592 flat angles P-C4'-P energy: -102.803 tors. eta vs tors. theta energy: -73.886 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: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1158.849889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.849889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.849889 (E_RNA) where: Base-Base interactions energy: -602.680 where: short stacking energy: -465.216 Base-Backbone interact. energy: 2.065 local terms energy: -558.234958 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -126.140 flat angles C4'-P-C4' energy: -153.637 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -55.103 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: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -999.861683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.861683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.861683 (E_RNA) where: Base-Base interactions energy: -466.098 where: short stacking energy: -357.829 Base-Backbone interact. energy: 1.370 local terms energy: -535.133092 where: bonds (distance) C4'-P energy: -144.870 bonds (distance) P-C4' energy: -157.635 flat angles C4'-P-C4' energy: -128.231 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -26.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -872.071639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.071639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.071639 (E_RNA) where: Base-Base interactions energy: -384.177 where: short stacking energy: -275.871 Base-Backbone interact. energy: 12.851 local terms energy: -500.745780 where: bonds (distance) C4'-P energy: -125.498 bonds (distance) P-C4' energy: -168.829 flat angles C4'-P-C4' energy: -138.545 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: 23.942 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: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -781.907884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.907884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.907884 (E_RNA) where: Base-Base interactions energy: -325.994 where: short stacking energy: -278.831 Base-Backbone interact. energy: 0.376 local terms energy: -456.290593 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -140.120 flat angles C4'-P-C4' energy: -116.312 flat angles P-C4'-P energy: -95.301 tors. eta vs tors. theta energy: 19.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2300.394675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.394675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.394675 (E_RNA) where: Base-Base interactions energy: -1379.296 where: short stacking energy: -883.730 Base-Backbone interact. energy: -8.746 local terms energy: -912.352928 where: bonds (distance) C4'-P energy: -172.988 bonds (distance) P-C4' energy: -195.307 flat angles C4'-P-C4' energy: -203.846 flat angles P-C4'-P energy: -144.228 tors. eta vs tors. theta energy: -195.983 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: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2221.919958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.919958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.919958 (E_RNA) where: Base-Base interactions energy: -1373.755 where: short stacking energy: -835.273 Base-Backbone interact. energy: -2.752 local terms energy: -845.412906 where: bonds (distance) C4'-P energy: -164.233 bonds (distance) P-C4' energy: -185.041 flat angles C4'-P-C4' energy: -196.883 flat angles P-C4'-P energy: -118.090 tors. eta vs tors. theta energy: -181.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1949.674170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.674170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.674170 (E_RNA) where: Base-Base interactions energy: -1150.920 where: short stacking energy: -745.436 Base-Backbone interact. energy: -3.732 local terms energy: -795.022243 where: bonds (distance) C4'-P energy: -139.552 bonds (distance) P-C4' energy: -179.385 flat angles C4'-P-C4' energy: -174.990 flat angles P-C4'-P energy: -117.124 tors. eta vs tors. theta energy: -183.971 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: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1787.260486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.260486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.260486 (E_RNA) where: Base-Base interactions energy: -1028.148 where: short stacking energy: -661.873 Base-Backbone interact. energy: -3.763 local terms energy: -755.349214 where: bonds (distance) C4'-P energy: -190.381 bonds (distance) P-C4' energy: -161.484 flat angles C4'-P-C4' energy: -166.260 flat angles P-C4'-P energy: -110.256 tors. eta vs tors. theta energy: -126.969 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: 74 Temperature: 1.100000 Total energy: -1557.246161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.246161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.246161 (E_RNA) where: Base-Base interactions energy: -833.594 where: short stacking energy: -581.519 Base-Backbone interact. energy: -3.488 local terms energy: -720.164028 where: bonds (distance) C4'-P energy: -159.690 bonds (distance) P-C4' energy: -185.556 flat angles C4'-P-C4' energy: -177.680 flat angles P-C4'-P energy: -84.473 tors. eta vs tors. theta energy: -112.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1401.886180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.886180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.886180 (E_RNA) where: Base-Base interactions energy: -719.336 where: short stacking energy: -520.791 Base-Backbone interact. energy: -5.441 local terms energy: -677.108940 where: bonds (distance) C4'-P energy: -139.957 bonds (distance) P-C4' energy: -172.605 flat angles C4'-P-C4' energy: -178.006 flat angles P-C4'-P energy: -105.740 tors. eta vs tors. theta energy: -80.802 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: 74 Temperature: 1.200000 Total energy: -1072.227620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.227620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.227620 (E_RNA) where: Base-Base interactions energy: -510.016 where: short stacking energy: -412.521 Base-Backbone interact. energy: -1.292 local terms energy: -560.920323 where: bonds (distance) C4'-P energy: -142.219 bonds (distance) P-C4' energy: -171.730 flat angles C4'-P-C4' energy: -125.339 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -36.823 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: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -979.744659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.744659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.744659 (E_RNA) where: Base-Base interactions energy: -420.951 where: short stacking energy: -372.446 Base-Backbone interact. energy: -2.063 local terms energy: -556.730471 where: bonds (distance) C4'-P energy: -159.924 bonds (distance) P-C4' energy: -147.860 flat angles C4'-P-C4' energy: -153.784 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -16.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -820.968035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.968035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.968035 (E_RNA) where: Base-Base interactions energy: -331.964 where: short stacking energy: -302.030 Base-Backbone interact. energy: -1.981 local terms energy: -487.023661 where: bonds (distance) C4'-P energy: -146.936 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -144.311 flat angles P-C4'-P energy: -73.194 tors. eta vs tors. theta energy: 15.739 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: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -799.333094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.333094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.333094 (E_RNA) where: Base-Base interactions energy: -341.589 where: short stacking energy: -272.596 Base-Backbone interact. energy: -2.123 local terms energy: -455.621205 where: bonds (distance) C4'-P energy: -129.386 bonds (distance) P-C4' energy: -160.298 flat angles C4'-P-C4' energy: -107.915 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: 14.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2297.225459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.225459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.225459 (E_RNA) where: Base-Base interactions energy: -1402.628 where: short stacking energy: -857.266 Base-Backbone interact. energy: -3.139 local terms energy: -891.459175 where: bonds (distance) C4'-P energy: -178.512 bonds (distance) P-C4' energy: -175.839 flat angles C4'-P-C4' energy: -217.018 flat angles P-C4'-P energy: -122.558 tors. eta vs tors. theta energy: -197.532 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: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2230.583296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.583296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.583296 (E_RNA) where: Base-Base interactions energy: -1346.481 where: short stacking energy: -852.879 Base-Backbone interact. energy: -4.794 local terms energy: -879.308604 where: bonds (distance) C4'-P energy: -169.753 bonds (distance) P-C4' energy: -190.863 flat angles C4'-P-C4' energy: -200.826 flat angles P-C4'-P energy: -122.488 tors. eta vs tors. theta energy: -195.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2017.894095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.894095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.894095 (E_RNA) where: Base-Base interactions energy: -1169.845 where: short stacking energy: -780.595 Base-Backbone interact. energy: 5.042 local terms energy: -853.090339 where: bonds (distance) C4'-P energy: -170.736 bonds (distance) P-C4' energy: -188.540 flat angles C4'-P-C4' energy: -187.287 flat angles P-C4'-P energy: -115.871 tors. eta vs tors. theta energy: -190.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1832.625997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.625997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.625997 (E_RNA) where: Base-Base interactions energy: -1076.129 where: short stacking energy: -702.965 Base-Backbone interact. energy: 1.596 local terms energy: -758.093087 where: bonds (distance) C4'-P energy: -152.838 bonds (distance) P-C4' energy: -172.844 flat angles C4'-P-C4' energy: -166.666 flat angles P-C4'-P energy: -110.893 tors. eta vs tors. theta energy: -154.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1565.432430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.432430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.432430 (E_RNA) where: Base-Base interactions energy: -858.539 where: short stacking energy: -592.744 Base-Backbone interact. energy: 1.477 local terms energy: -708.370332 where: bonds (distance) C4'-P energy: -164.735 bonds (distance) P-C4' energy: -172.987 flat angles C4'-P-C4' energy: -167.175 flat angles P-C4'-P energy: -103.087 tors. eta vs tors. theta energy: -100.386 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: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1364.508354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.508354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.508354 (E_RNA) where: Base-Base interactions energy: -738.856 where: short stacking energy: -529.021 Base-Backbone interact. energy: 8.153 local terms energy: -633.806177 where: bonds (distance) C4'-P energy: -138.871 bonds (distance) P-C4' energy: -174.608 flat angles C4'-P-C4' energy: -162.833 flat angles P-C4'-P energy: -102.833 tors. eta vs tors. theta energy: -54.661 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: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1082.937124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.937124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.937124 (E_RNA) where: Base-Base interactions energy: -508.454 where: short stacking energy: -365.200 Base-Backbone interact. energy: 0.286 local terms energy: -574.768481 where: bonds (distance) C4'-P energy: -153.054 bonds (distance) P-C4' energy: -167.736 flat angles C4'-P-C4' energy: -138.763 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -883.418078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.418078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.418078 (E_RNA) where: Base-Base interactions energy: -387.681 where: short stacking energy: -320.511 Base-Backbone interact. energy: 1.027 local terms energy: -496.763862 where: bonds (distance) C4'-P energy: -138.197 bonds (distance) P-C4' energy: -159.710 flat angles C4'-P-C4' energy: -119.161 flat angles P-C4'-P energy: -84.360 tors. eta vs tors. theta energy: 4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -851.249024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.249024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.249024 (E_RNA) where: Base-Base interactions energy: -354.088 where: short stacking energy: -299.262 Base-Backbone interact. energy: 10.693 local terms energy: -507.854354 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -148.305 flat angles C4'-P-C4' energy: -130.918 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -838.918077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.918077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.918077 (E_RNA) where: Base-Base interactions energy: -338.596 where: short stacking energy: -287.041 Base-Backbone interact. energy: 6.001 local terms energy: -506.323051 where: bonds (distance) C4'-P energy: -151.683 bonds (distance) P-C4' energy: -141.573 flat angles C4'-P-C4' energy: -147.727 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2335.205473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.205473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.205473 (E_RNA) where: Base-Base interactions energy: -1430.769 where: short stacking energy: -900.283 Base-Backbone interact. energy: -4.944 local terms energy: -899.491915 where: bonds (distance) C4'-P energy: -176.938 bonds (distance) P-C4' energy: -184.258 flat angles C4'-P-C4' energy: -196.462 flat angles P-C4'-P energy: -130.088 tors. eta vs tors. theta energy: -211.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2214.960316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.960316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.960316 (E_RNA) where: Base-Base interactions energy: -1332.206 where: short stacking energy: -815.705 Base-Backbone interact. energy: -1.249 local terms energy: -881.505159 where: bonds (distance) C4'-P energy: -181.148 bonds (distance) P-C4' energy: -187.974 flat angles C4'-P-C4' energy: -197.967 flat angles P-C4'-P energy: -113.595 tors. eta vs tors. theta energy: -200.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2018.586744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.586744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.586744 (E_RNA) where: Base-Base interactions energy: -1158.775 where: short stacking energy: -778.602 Base-Backbone interact. energy: -2.905 local terms energy: -856.907119 where: bonds (distance) C4'-P energy: -165.603 bonds (distance) P-C4' energy: -176.528 flat angles C4'-P-C4' energy: -196.404 flat angles P-C4'-P energy: -124.442 tors. eta vs tors. theta energy: -193.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1827.670742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.670742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.670742 (E_RNA) where: Base-Base interactions energy: -1070.861 where: short stacking energy: -691.411 Base-Backbone interact. energy: 0.759 local terms energy: -757.568688 where: bonds (distance) C4'-P energy: -175.938 bonds (distance) P-C4' energy: -164.536 flat angles C4'-P-C4' energy: -169.128 flat angles P-C4'-P energy: -109.070 tors. eta vs tors. theta energy: -138.897 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: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1551.439659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.439659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.439659 (E_RNA) where: Base-Base interactions energy: -858.494 where: short stacking energy: -565.758 Base-Backbone interact. energy: -3.089 local terms energy: -689.856113 where: bonds (distance) C4'-P energy: -156.134 bonds (distance) P-C4' energy: -157.920 flat angles C4'-P-C4' energy: -175.248 flat angles P-C4'-P energy: -104.986 tors. eta vs tors. theta energy: -95.568 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: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1384.722733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.722733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.722733 (E_RNA) where: Base-Base interactions energy: -764.691 where: short stacking energy: -526.896 Base-Backbone interact. energy: -1.640 local terms energy: -618.391654 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -154.324 flat angles C4'-P-C4' energy: -155.663 flat angles P-C4'-P energy: -88.382 tors. eta vs tors. theta energy: -74.538 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1174.914058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.914058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.914058 (E_RNA) where: Base-Base interactions energy: -576.855 where: short stacking energy: -422.924 Base-Backbone interact. energy: -0.476 local terms energy: -597.582439 where: bonds (distance) C4'-P energy: -135.032 bonds (distance) P-C4' energy: -176.595 flat angles C4'-P-C4' energy: -160.821 flat angles P-C4'-P energy: -86.712 tors. eta vs tors. theta energy: -38.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -949.497143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.497143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.497143 (E_RNA) where: Base-Base interactions energy: -428.898 where: short stacking energy: -357.326 Base-Backbone interact. energy: 1.910 local terms energy: -522.508609 where: bonds (distance) C4'-P energy: -135.789 bonds (distance) P-C4' energy: -157.947 flat angles C4'-P-C4' energy: -131.831 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -7.983 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: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -902.946069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.946069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.946069 (E_RNA) where: Base-Base interactions energy: -397.815 where: short stacking energy: -285.718 Base-Backbone interact. energy: 7.495 local terms energy: -512.626598 where: bonds (distance) C4'-P energy: -119.120 bonds (distance) P-C4' energy: -159.860 flat angles C4'-P-C4' energy: -139.869 flat angles P-C4'-P energy: -101.757 tors. eta vs tors. theta energy: 7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -747.138012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.138012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.138012 (E_RNA) where: Base-Base interactions energy: -268.877 where: short stacking energy: -264.494 Base-Backbone interact. energy: -0.583 local terms energy: -477.678421 where: bonds (distance) C4'-P energy: -149.884 bonds (distance) P-C4' energy: -160.111 flat angles C4'-P-C4' energy: -117.078 flat angles P-C4'-P energy: -55.811 tors. eta vs tors. theta energy: 5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2335.679165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.679165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.679165 (E_RNA) where: Base-Base interactions energy: -1431.953 where: short stacking energy: -879.964 Base-Backbone interact. energy: -4.334 local terms energy: -899.391768 where: bonds (distance) C4'-P energy: -168.874 bonds (distance) P-C4' energy: -187.213 flat angles C4'-P-C4' energy: -198.651 flat angles P-C4'-P energy: -142.118 tors. eta vs tors. theta energy: -202.537 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: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2231.578239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.578239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.578239 (E_RNA) where: Base-Base interactions energy: -1361.584 where: short stacking energy: -874.519 Base-Backbone interact. energy: -2.598 local terms energy: -867.395746 where: bonds (distance) C4'-P energy: -161.263 bonds (distance) P-C4' energy: -184.357 flat angles C4'-P-C4' energy: -191.567 flat angles P-C4'-P energy: -111.215 tors. eta vs tors. theta energy: -218.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2086.393568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.393568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.393568 (E_RNA) where: Base-Base interactions energy: -1251.240 where: short stacking energy: -819.754 Base-Backbone interact. energy: -0.514 local terms energy: -834.638886 where: bonds (distance) C4'-P energy: -170.690 bonds (distance) P-C4' energy: -165.743 flat angles C4'-P-C4' energy: -186.232 flat angles P-C4'-P energy: -123.008 tors. eta vs tors. theta energy: -188.967 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: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1820.673085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.673085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.673085 (E_RNA) where: Base-Base interactions energy: -1058.065 where: short stacking energy: -681.052 Base-Backbone interact. energy: -1.090 local terms energy: -761.517465 where: bonds (distance) C4'-P energy: -148.175 bonds (distance) P-C4' energy: -169.952 flat angles C4'-P-C4' energy: -184.966 flat angles P-C4'-P energy: -119.729 tors. eta vs tors. theta energy: -138.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1630.013854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.013854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.013854 (E_RNA) where: Base-Base interactions energy: -943.159 where: short stacking energy: -633.776 Base-Backbone interact. energy: -2.635 local terms energy: -684.219609 where: bonds (distance) C4'-P energy: -157.572 bonds (distance) P-C4' energy: -156.537 flat angles C4'-P-C4' energy: -165.000 flat angles P-C4'-P energy: -90.895 tors. eta vs tors. theta energy: -114.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1304.687663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.687663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.687663 (E_RNA) where: Base-Base interactions energy: -718.497 where: short stacking energy: -466.835 Base-Backbone interact. energy: -2.674 local terms energy: -583.517313 where: bonds (distance) C4'-P energy: -158.527 bonds (distance) P-C4' energy: -154.127 flat angles C4'-P-C4' energy: -138.494 flat angles P-C4'-P energy: -82.337 tors. eta vs tors. theta energy: -50.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1124.806201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.806201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.806201 (E_RNA) where: Base-Base interactions energy: -530.631 where: short stacking energy: -399.199 Base-Backbone interact. energy: 1.228 local terms energy: -595.403486 where: bonds (distance) C4'-P energy: -141.713 bonds (distance) P-C4' energy: -169.390 flat angles C4'-P-C4' energy: -152.905 flat angles P-C4'-P energy: -79.927 tors. eta vs tors. theta energy: -51.468 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: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -942.780197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.780197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.780197 (E_RNA) where: Base-Base interactions energy: -394.394 where: short stacking energy: -319.536 Base-Backbone interact. energy: 5.630 local terms energy: -554.016369 where: bonds (distance) C4'-P energy: -171.509 bonds (distance) P-C4' energy: -159.701 flat angles C4'-P-C4' energy: -146.593 flat angles P-C4'-P energy: -68.804 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -856.815896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.815896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.815896 (E_RNA) where: Base-Base interactions energy: -386.598 where: short stacking energy: -313.712 Base-Backbone interact. energy: 0.615 local terms energy: -470.833083 where: bonds (distance) C4'-P energy: -116.713 bonds (distance) P-C4' energy: -147.183 flat angles C4'-P-C4' energy: -134.333 flat angles P-C4'-P energy: -72.005 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -806.862188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.862188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.862188 (E_RNA) where: Base-Base interactions energy: -335.108 where: short stacking energy: -282.615 Base-Backbone interact. energy: -1.095 local terms energy: -470.659226 where: bonds (distance) C4'-P energy: -134.703 bonds (distance) P-C4' energy: -153.802 flat angles C4'-P-C4' energy: -111.421 flat angles P-C4'-P energy: -85.263 tors. eta vs tors. theta energy: 14.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2351.086101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.086101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.086101 (E_RNA) where: Base-Base interactions energy: -1424.194 where: short stacking energy: -914.206 Base-Backbone interact. energy: -0.777 local terms energy: -926.115166 where: bonds (distance) C4'-P energy: -182.611 bonds (distance) P-C4' energy: -188.605 flat angles C4'-P-C4' energy: -200.210 flat angles P-C4'-P energy: -129.283 tors. eta vs tors. theta energy: -225.406 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2233.557270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.557270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.557270 (E_RNA) where: Base-Base interactions energy: -1364.426 where: short stacking energy: -860.957 Base-Backbone interact. energy: -3.813 local terms energy: -865.318785 where: bonds (distance) C4'-P energy: -165.964 bonds (distance) P-C4' energy: -182.984 flat angles C4'-P-C4' energy: -187.493 flat angles P-C4'-P energy: -135.026 tors. eta vs tors. theta energy: -193.851 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: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2065.048019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.048019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.048019 (E_RNA) where: Base-Base interactions energy: -1214.448 where: short stacking energy: -813.713 Base-Backbone interact. energy: 0.291 local terms energy: -850.890596 where: bonds (distance) C4'-P energy: -161.139 bonds (distance) P-C4' energy: -186.567 flat angles C4'-P-C4' energy: -189.353 flat angles P-C4'-P energy: -120.621 tors. eta vs tors. theta energy: -193.210 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: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1829.108387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.108387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.108387 (E_RNA) where: Base-Base interactions energy: -1048.367 where: short stacking energy: -689.958 Base-Backbone interact. energy: -4.829 local terms energy: -775.912488 where: bonds (distance) C4'-P energy: -177.993 bonds (distance) P-C4' energy: -167.224 flat angles C4'-P-C4' energy: -169.514 flat angles P-C4'-P energy: -109.840 tors. eta vs tors. theta energy: -151.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1642.742508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.742508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.742508 (E_RNA) where: Base-Base interactions energy: -941.458 where: short stacking energy: -613.506 Base-Backbone interact. energy: 4.208 local terms energy: -705.492828 where: bonds (distance) C4'-P energy: -168.495 bonds (distance) P-C4' energy: -166.850 flat angles C4'-P-C4' energy: -164.924 flat angles P-C4'-P energy: -96.740 tors. eta vs tors. theta energy: -108.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1353.145784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.145784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.145784 (E_RNA) where: Base-Base interactions energy: -683.612 where: short stacking energy: -491.570 Base-Backbone interact. energy: 0.236 local terms energy: -669.770068 where: bonds (distance) C4'-P energy: -159.509 bonds (distance) P-C4' energy: -180.392 flat angles C4'-P-C4' energy: -164.593 flat angles P-C4'-P energy: -93.952 tors. eta vs tors. theta energy: -71.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1189.538815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.538815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.538815 (E_RNA) where: Base-Base interactions energy: -595.222 where: short stacking energy: -451.078 Base-Backbone interact. energy: -0.601 local terms energy: -593.714903 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -152.277 flat angles C4'-P-C4' energy: -134.725 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -72.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -948.007685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.007685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.007685 (E_RNA) where: Base-Base interactions energy: -430.380 where: short stacking energy: -380.720 Base-Backbone interact. energy: -3.151 local terms energy: -514.476346 where: bonds (distance) C4'-P energy: -140.567 bonds (distance) P-C4' energy: -150.031 flat angles C4'-P-C4' energy: -139.857 flat angles P-C4'-P energy: -62.458 tors. eta vs tors. theta energy: -21.563 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: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -867.906434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.906434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.906434 (E_RNA) where: Base-Base interactions energy: -349.544 where: short stacking energy: -292.394 Base-Backbone interact. energy: -5.123 local terms energy: -513.239450 where: bonds (distance) C4'-P energy: -141.973 bonds (distance) P-C4' energy: -162.079 flat angles C4'-P-C4' energy: -137.743 flat angles P-C4'-P energy: -54.887 tors. eta vs tors. theta energy: -16.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -827.421336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.421336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.421336 (E_RNA) where: Base-Base interactions energy: -339.531 where: short stacking energy: -283.922 Base-Backbone interact. energy: 0.068 local terms energy: -487.957517 where: bonds (distance) C4'-P energy: -118.841 bonds (distance) P-C4' energy: -177.143 flat angles C4'-P-C4' energy: -119.355 flat angles P-C4'-P energy: -82.651 tors. eta vs tors. theta energy: 10.033 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: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2361.027265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.027265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.027265 (E_RNA) where: Base-Base interactions energy: -1400.475 where: short stacking energy: -874.346 Base-Backbone interact. energy: -6.822 local terms energy: -953.729925 where: bonds (distance) C4'-P energy: -189.390 bonds (distance) P-C4' energy: -180.626 flat angles C4'-P-C4' energy: -218.253 flat angles P-C4'-P energy: -142.740 tors. eta vs tors. theta energy: -222.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2243.637399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.637399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.637399 (E_RNA) where: Base-Base interactions energy: -1374.760 where: short stacking energy: -852.409 Base-Backbone interact. energy: -3.043 local terms energy: -865.834602 where: bonds (distance) C4'-P energy: -182.063 bonds (distance) P-C4' energy: -171.874 flat angles C4'-P-C4' energy: -192.301 flat angles P-C4'-P energy: -112.510 tors. eta vs tors. theta energy: -207.086 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: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2064.663845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.663845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.663845 (E_RNA) where: Base-Base interactions energy: -1221.074 where: short stacking energy: -803.185 Base-Backbone interact. energy: -2.881 local terms energy: -840.709507 where: bonds (distance) C4'-P energy: -173.469 bonds (distance) P-C4' energy: -183.533 flat angles C4'-P-C4' energy: -187.734 flat angles P-C4'-P energy: -107.881 tors. eta vs tors. theta energy: -188.092 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: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1851.461241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.461241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.461241 (E_RNA) where: Base-Base interactions energy: -1074.256 where: short stacking energy: -690.736 Base-Backbone interact. energy: -0.145 local terms energy: -777.060598 where: bonds (distance) C4'-P energy: -184.246 bonds (distance) P-C4' energy: -168.861 flat angles C4'-P-C4' energy: -183.420 flat angles P-C4'-P energy: -98.484 tors. eta vs tors. theta energy: -142.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1640.199289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.199289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.199289 (E_RNA) where: Base-Base interactions energy: -937.344 where: short stacking energy: -630.784 Base-Backbone interact. energy: 1.673 local terms energy: -704.527685 where: bonds (distance) C4'-P energy: -167.863 bonds (distance) P-C4' energy: -152.618 flat angles C4'-P-C4' energy: -160.003 flat angles P-C4'-P energy: -110.557 tors. eta vs tors. theta energy: -113.487 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: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1251.463805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.463805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.463805 (E_RNA) where: Base-Base interactions energy: -641.367 where: short stacking energy: -479.593 Base-Backbone interact. energy: 4.788 local terms energy: -614.884453 where: bonds (distance) C4'-P energy: -149.436 bonds (distance) P-C4' energy: -157.341 flat angles C4'-P-C4' energy: -157.826 flat angles P-C4'-P energy: -97.715 tors. eta vs tors. theta energy: -52.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1144.915150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.915150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.915150 (E_RNA) where: Base-Base interactions energy: -543.832 where: short stacking energy: -384.197 Base-Backbone interact. energy: -3.418 local terms energy: -597.665116 where: bonds (distance) C4'-P energy: -155.184 bonds (distance) P-C4' energy: -165.592 flat angles C4'-P-C4' energy: -150.769 flat angles P-C4'-P energy: -85.780 tors. eta vs tors. theta energy: -40.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -969.245968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.245968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.245968 (E_RNA) where: Base-Base interactions energy: -431.577 where: short stacking energy: -351.321 Base-Backbone interact. energy: 5.866 local terms energy: -543.535199 where: bonds (distance) C4'-P energy: -151.834 bonds (distance) P-C4' energy: -169.688 flat angles C4'-P-C4' energy: -136.279 flat angles P-C4'-P energy: -78.662 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -856.342911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.342911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.342911 (E_RNA) where: Base-Base interactions energy: -373.435 where: short stacking energy: -330.222 Base-Backbone interact. energy: 1.114 local terms energy: -484.022292 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -155.833 flat angles C4'-P-C4' energy: -121.315 flat angles P-C4'-P energy: -73.972 tors. eta vs tors. theta energy: 14.303 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: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -762.327930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.327930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.327930 (E_RNA) where: Base-Base interactions energy: -300.065 where: short stacking energy: -259.473 Base-Backbone interact. energy: 0.407 local terms energy: -462.669791 where: bonds (distance) C4'-P energy: -155.881 bonds (distance) P-C4' energy: -124.111 flat angles C4'-P-C4' energy: -111.113 flat angles P-C4'-P energy: -73.891 tors. eta vs tors. theta energy: 2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2364.536023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.536023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.536023 (E_RNA) where: Base-Base interactions energy: -1427.898 where: short stacking energy: -902.934 Base-Backbone interact. energy: -4.894 local terms energy: -931.743484 where: bonds (distance) C4'-P energy: -181.217 bonds (distance) P-C4' energy: -198.081 flat angles C4'-P-C4' energy: -202.525 flat angles P-C4'-P energy: -124.576 tors. eta vs tors. theta energy: -225.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2202.229874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.229874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.229874 (E_RNA) where: Base-Base interactions energy: -1337.432 where: short stacking energy: -833.733 Base-Backbone interact. energy: -4.371 local terms energy: -860.427064 where: bonds (distance) C4'-P energy: -159.536 bonds (distance) P-C4' energy: -192.591 flat angles C4'-P-C4' energy: -187.674 flat angles P-C4'-P energy: -122.089 tors. eta vs tors. theta energy: -198.537 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: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2085.955693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.955693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.955693 (E_RNA) where: Base-Base interactions energy: -1227.247 where: short stacking energy: -819.571 Base-Backbone interact. energy: -0.800 local terms energy: -857.907804 where: bonds (distance) C4'-P energy: -174.953 bonds (distance) P-C4' energy: -174.656 flat angles C4'-P-C4' energy: -189.417 flat angles P-C4'-P energy: -111.549 tors. eta vs tors. theta energy: -207.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1854.073060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.073060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.073060 (E_RNA) where: Base-Base interactions energy: -1078.742 where: short stacking energy: -696.472 Base-Backbone interact. energy: -0.970 local terms energy: -774.361795 where: bonds (distance) C4'-P energy: -172.790 bonds (distance) P-C4' energy: -181.243 flat angles C4'-P-C4' energy: -182.662 flat angles P-C4'-P energy: -102.543 tors. eta vs tors. theta energy: -135.125 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1607.230521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.230521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.230521 (E_RNA) where: Base-Base interactions energy: -895.992 where: short stacking energy: -627.599 Base-Backbone interact. energy: 2.085 local terms energy: -713.323131 where: bonds (distance) C4'-P energy: -154.104 bonds (distance) P-C4' energy: -176.241 flat angles C4'-P-C4' energy: -166.773 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -123.775 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: 5 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1316.621286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.621286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.621286 (E_RNA) where: Base-Base interactions energy: -665.902 where: short stacking energy: -500.398 Base-Backbone interact. energy: 0.592 local terms energy: -651.311669 where: bonds (distance) C4'-P energy: -153.534 bonds (distance) P-C4' energy: -162.513 flat angles C4'-P-C4' energy: -161.479 flat angles P-C4'-P energy: -105.049 tors. eta vs tors. theta energy: -68.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1133.950130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.950130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.950130 (E_RNA) where: Base-Base interactions energy: -554.993 where: short stacking energy: -388.682 Base-Backbone interact. energy: -0.787 local terms energy: -578.170597 where: bonds (distance) C4'-P energy: -145.301 bonds (distance) P-C4' energy: -162.756 flat angles C4'-P-C4' energy: -166.210 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -17.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -940.448406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.448406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.448406 (E_RNA) where: Base-Base interactions energy: -425.680 where: short stacking energy: -370.300 Base-Backbone interact. energy: 1.707 local terms energy: -516.475190 where: bonds (distance) C4'-P energy: -147.584 bonds (distance) P-C4' energy: -146.964 flat angles C4'-P-C4' energy: -136.059 flat angles P-C4'-P energy: -78.316 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -838.550646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.550646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.550646 (E_RNA) where: Base-Base interactions energy: -363.912 where: short stacking energy: -292.684 Base-Backbone interact. energy: -1.598 local terms energy: -473.040759 where: bonds (distance) C4'-P energy: -121.702 bonds (distance) P-C4' energy: -145.912 flat angles C4'-P-C4' energy: -145.410 flat angles P-C4'-P energy: -69.191 tors. eta vs tors. theta energy: 9.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -737.298651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.298651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.298651 (E_RNA) where: Base-Base interactions energy: -251.013 where: short stacking energy: -236.163 Base-Backbone interact. energy: -0.474 local terms energy: -485.811643 where: bonds (distance) C4'-P energy: -136.714 bonds (distance) P-C4' energy: -179.089 flat angles C4'-P-C4' energy: -131.746 flat angles P-C4'-P energy: -66.792 tors. eta vs tors. theta energy: 28.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2375.652819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.652819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.652819 (E_RNA) where: Base-Base interactions energy: -1452.223 where: short stacking energy: -922.782 Base-Backbone interact. energy: -1.990 local terms energy: -921.439496 where: bonds (distance) C4'-P energy: -182.096 bonds (distance) P-C4' energy: -187.133 flat angles C4'-P-C4' energy: -205.430 flat angles P-C4'-P energy: -127.046 tors. eta vs tors. theta energy: -219.734 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: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2238.830875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.830875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.830875 (E_RNA) where: Base-Base interactions energy: -1364.278 where: short stacking energy: -852.015 Base-Backbone interact. energy: -3.379 local terms energy: -871.173812 where: bonds (distance) C4'-P energy: -168.152 bonds (distance) P-C4' energy: -185.556 flat angles C4'-P-C4' energy: -193.074 flat angles P-C4'-P energy: -113.261 tors. eta vs tors. theta energy: -211.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2047.295712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.295712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.295712 (E_RNA) where: Base-Base interactions energy: -1203.782 where: short stacking energy: -816.795 Base-Backbone interact. energy: 0.007 local terms energy: -843.520776 where: bonds (distance) C4'-P energy: -168.214 bonds (distance) P-C4' energy: -186.864 flat angles C4'-P-C4' energy: -181.812 flat angles P-C4'-P energy: -118.221 tors. eta vs tors. theta energy: -188.410 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: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1797.833604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.833604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.833604 (E_RNA) where: Base-Base interactions energy: -1027.328 where: short stacking energy: -665.674 Base-Backbone interact. energy: -0.241 local terms energy: -770.265030 where: bonds (distance) C4'-P energy: -164.426 bonds (distance) P-C4' energy: -175.903 flat angles C4'-P-C4' energy: -186.359 flat angles P-C4'-P energy: -112.435 tors. eta vs tors. theta energy: -131.142 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: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1554.500506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.500506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.500506 (E_RNA) where: Base-Base interactions energy: -853.047 where: short stacking energy: -528.978 Base-Backbone interact. energy: 0.308 local terms energy: -701.761755 where: bonds (distance) C4'-P energy: -169.426 bonds (distance) P-C4' energy: -156.598 flat angles C4'-P-C4' energy: -152.699 flat angles P-C4'-P energy: -119.163 tors. eta vs tors. theta energy: -103.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1361.903999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.903999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.903999 (E_RNA) where: Base-Base interactions energy: -699.191 where: short stacking energy: -516.232 Base-Backbone interact. energy: -1.920 local terms energy: -660.792392 where: bonds (distance) C4'-P energy: -144.593 bonds (distance) P-C4' energy: -170.631 flat angles C4'-P-C4' energy: -175.848 flat angles P-C4'-P energy: -94.303 tors. eta vs tors. theta energy: -75.417 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: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1136.932620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.932620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.932620 (E_RNA) where: Base-Base interactions energy: -559.759 where: short stacking energy: -424.263 Base-Backbone interact. energy: 0.031 local terms energy: -577.204814 where: bonds (distance) C4'-P energy: -165.504 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -140.105 flat angles P-C4'-P energy: -84.186 tors. eta vs tors. theta energy: -42.952 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: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -980.599550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.599550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.599550 (E_RNA) where: Base-Base interactions energy: -439.157 where: short stacking energy: -384.999 Base-Backbone interact. energy: -3.097 local terms energy: -538.345409 where: bonds (distance) C4'-P energy: -163.560 bonds (distance) P-C4' energy: -146.195 flat angles C4'-P-C4' energy: -133.300 flat angles P-C4'-P energy: -85.191 tors. eta vs tors. theta energy: -10.099 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: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -795.862787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.862787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.862787 (E_RNA) where: Base-Base interactions energy: -298.204 where: short stacking energy: -273.567 Base-Backbone interact. energy: -1.593 local terms energy: -496.065253 where: bonds (distance) C4'-P energy: -129.104 bonds (distance) P-C4' energy: -160.289 flat angles C4'-P-C4' energy: -129.252 flat angles P-C4'-P energy: -84.482 tors. eta vs tors. theta energy: 7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -765.780335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.780335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.780335 (E_RNA) where: Base-Base interactions energy: -308.989 where: short stacking energy: -256.213 Base-Backbone interact. energy: -0.495 local terms energy: -456.296570 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -159.143 flat angles C4'-P-C4' energy: -125.347 flat angles P-C4'-P energy: -53.044 tors. eta vs tors. theta energy: 10.215 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: 82 Temperature: 0.900000 Total energy: -2353.881081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.881081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.881081 (E_RNA) where: Base-Base interactions energy: -1441.714 where: short stacking energy: -869.039 Base-Backbone interact. energy: -6.372 local terms energy: -905.794793 where: bonds (distance) C4'-P energy: -184.714 bonds (distance) P-C4' energy: -172.849 flat angles C4'-P-C4' energy: -211.633 flat angles P-C4'-P energy: -129.896 tors. eta vs tors. theta energy: -206.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2289.635859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.635859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.635859 (E_RNA) where: Base-Base interactions energy: -1406.017 where: short stacking energy: -877.140 Base-Backbone interact. energy: -0.304 local terms energy: -883.314660 where: bonds (distance) C4'-P energy: -183.257 bonds (distance) P-C4' energy: -172.942 flat angles C4'-P-C4' energy: -198.823 flat angles P-C4'-P energy: -121.920 tors. eta vs tors. theta energy: -206.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1987.983467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.983467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.983467 (E_RNA) where: Base-Base interactions energy: -1166.622 where: short stacking energy: -752.680 Base-Backbone interact. energy: -3.678 local terms energy: -817.683413 where: bonds (distance) C4'-P energy: -162.920 bonds (distance) P-C4' energy: -167.533 flat angles C4'-P-C4' energy: -199.303 flat angles P-C4'-P energy: -126.674 tors. eta vs tors. theta energy: -161.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1847.009444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.009444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.009444 (E_RNA) where: Base-Base interactions energy: -1087.824 where: short stacking energy: -722.872 Base-Backbone interact. energy: 5.442 local terms energy: -764.627707 where: bonds (distance) C4'-P energy: -179.268 bonds (distance) P-C4' energy: -152.202 flat angles C4'-P-C4' energy: -181.154 flat angles P-C4'-P energy: -106.048 tors. eta vs tors. theta energy: -145.955 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: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1620.619843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.619843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.619843 (E_RNA) where: Base-Base interactions energy: -919.505 where: short stacking energy: -649.165 Base-Backbone interact. energy: -1.725 local terms energy: -699.389408 where: bonds (distance) C4'-P energy: -155.085 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -161.611 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: -139.512 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: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1360.754782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.754782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.754782 (E_RNA) where: Base-Base interactions energy: -719.464 where: short stacking energy: -493.624 Base-Backbone interact. energy: -0.954 local terms energy: -640.337186 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -163.642 flat angles C4'-P-C4' energy: -162.834 flat angles P-C4'-P energy: -93.784 tors. eta vs tors. theta energy: -80.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1133.763059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.763059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.763059 (E_RNA) where: Base-Base interactions energy: -545.849 where: short stacking energy: -408.780 Base-Backbone interact. energy: -2.658 local terms energy: -585.256514 where: bonds (distance) C4'-P energy: -135.706 bonds (distance) P-C4' energy: -160.202 flat angles C4'-P-C4' energy: -149.305 flat angles P-C4'-P energy: -111.120 tors. eta vs tors. theta energy: -28.924 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: 82 Temperature: 1.250000 Total energy: -921.547555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.547555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.547555 (E_RNA) where: Base-Base interactions energy: -417.154 where: short stacking energy: -361.291 Base-Backbone interact. energy: 0.129 local terms energy: -504.521692 where: bonds (distance) C4'-P energy: -137.856 bonds (distance) P-C4' energy: -148.066 flat angles C4'-P-C4' energy: -116.167 flat angles P-C4'-P energy: -93.608 tors. eta vs tors. theta energy: -8.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -841.660228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.660228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.660228 (E_RNA) where: Base-Base interactions energy: -307.794 where: short stacking energy: -266.838 Base-Backbone interact. energy: -0.843 local terms energy: -533.022840 where: bonds (distance) C4'-P energy: -157.933 bonds (distance) P-C4' energy: -168.724 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: 12.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -820.213832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.213832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.213832 (E_RNA) where: Base-Base interactions energy: -326.813 where: short stacking energy: -283.642 Base-Backbone interact. energy: 9.766 local terms energy: -503.167028 where: bonds (distance) C4'-P energy: -136.119 bonds (distance) P-C4' energy: -162.871 flat angles C4'-P-C4' energy: -142.799 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: 3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2362.753594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.753594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.753594 (E_RNA) where: Base-Base interactions energy: -1454.277 where: short stacking energy: -888.022 Base-Backbone interact. energy: 1.064 local terms energy: -909.541409 where: bonds (distance) C4'-P energy: -179.034 bonds (distance) P-C4' energy: -179.029 flat angles C4'-P-C4' energy: -209.208 flat angles P-C4'-P energy: -133.868 tors. eta vs tors. theta energy: -208.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2240.658750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.658750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.658750 (E_RNA) where: Base-Base interactions energy: -1387.093 where: short stacking energy: -841.698 Base-Backbone interact. energy: -1.435 local terms energy: -852.131001 where: bonds (distance) C4'-P energy: -151.697 bonds (distance) P-C4' energy: -183.756 flat angles C4'-P-C4' energy: -190.124 flat angles P-C4'-P energy: -131.535 tors. eta vs tors. theta energy: -195.019 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: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1992.417796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.417796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.417796 (E_RNA) where: Base-Base interactions energy: -1152.988 where: short stacking energy: -748.301 Base-Backbone interact. energy: 0.153 local terms energy: -839.582329 where: bonds (distance) C4'-P energy: -180.179 bonds (distance) P-C4' energy: -178.262 flat angles C4'-P-C4' energy: -200.267 flat angles P-C4'-P energy: -113.402 tors. eta vs tors. theta energy: -167.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1865.683087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.683087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.683087 (E_RNA) where: Base-Base interactions energy: -1084.084 where: short stacking energy: -681.044 Base-Backbone interact. energy: -5.145 local terms energy: -776.454300 where: bonds (distance) C4'-P energy: -157.694 bonds (distance) P-C4' energy: -165.060 flat angles C4'-P-C4' energy: -182.584 flat angles P-C4'-P energy: -131.824 tors. eta vs tors. theta energy: -139.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1513.394498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.394498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.394498 (E_RNA) where: Base-Base interactions energy: -778.972 where: short stacking energy: -554.595 Base-Backbone interact. energy: 4.912 local terms energy: -739.334329 where: bonds (distance) C4'-P energy: -176.396 bonds (distance) P-C4' energy: -165.999 flat angles C4'-P-C4' energy: -160.865 flat angles P-C4'-P energy: -124.229 tors. eta vs tors. theta energy: -111.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1351.998731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.998731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.998731 (E_RNA) where: Base-Base interactions energy: -722.763 where: short stacking energy: -535.827 Base-Backbone interact. energy: 1.242 local terms energy: -630.477297 where: bonds (distance) C4'-P energy: -152.227 bonds (distance) P-C4' energy: -175.782 flat angles C4'-P-C4' energy: -141.655 flat angles P-C4'-P energy: -102.961 tors. eta vs tors. theta energy: -57.852 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: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1117.234705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.234705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.234705 (E_RNA) where: Base-Base interactions energy: -541.400 where: short stacking energy: -414.318 Base-Backbone interact. energy: 2.698 local terms energy: -578.533150 where: bonds (distance) C4'-P energy: -149.291 bonds (distance) P-C4' energy: -142.401 flat angles C4'-P-C4' energy: -161.433 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -28.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -935.701509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.701509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.701509 (E_RNA) where: Base-Base interactions energy: -419.033 where: short stacking energy: -345.573 Base-Backbone interact. energy: 0.314 local terms energy: -516.982474 where: bonds (distance) C4'-P energy: -157.288 bonds (distance) P-C4' energy: -161.622 flat angles C4'-P-C4' energy: -124.098 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: 0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -854.457459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.457459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.457459 (E_RNA) where: Base-Base interactions energy: -354.686 where: short stacking energy: -332.944 Base-Backbone interact. energy: 0.698 local terms energy: -500.470198 where: bonds (distance) C4'-P energy: -128.557 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -152.966 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: 7.422 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: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -784.182065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.182065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.182065 (E_RNA) where: Base-Base interactions energy: -301.955 where: short stacking energy: -247.436 Base-Backbone interact. energy: 6.270 local terms energy: -488.497642 where: bonds (distance) C4'-P energy: -138.276 bonds (distance) P-C4' energy: -158.646 flat angles C4'-P-C4' energy: -150.949 flat angles P-C4'-P energy: -62.943 tors. eta vs tors. theta energy: 22.317 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: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2373.452608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.452608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.452608 (E_RNA) where: Base-Base interactions energy: -1456.916 where: short stacking energy: -935.051 Base-Backbone interact. energy: -6.127 local terms energy: -910.409272 where: bonds (distance) C4'-P energy: -189.582 bonds (distance) P-C4' energy: -184.348 flat angles C4'-P-C4' energy: -194.810 flat angles P-C4'-P energy: -130.281 tors. eta vs tors. theta energy: -211.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2307.606372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.606372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.606372 (E_RNA) where: Base-Base interactions energy: -1419.483 where: short stacking energy: -867.087 Base-Backbone interact. energy: -2.073 local terms energy: -886.050542 where: bonds (distance) C4'-P energy: -181.235 bonds (distance) P-C4' energy: -172.583 flat angles C4'-P-C4' energy: -191.214 flat angles P-C4'-P energy: -133.215 tors. eta vs tors. theta energy: -207.803 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: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1989.417989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.417989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.417989 (E_RNA) where: Base-Base interactions energy: -1147.118 where: short stacking energy: -771.595 Base-Backbone interact. energy: -1.813 local terms energy: -840.487592 where: bonds (distance) C4'-P energy: -168.972 bonds (distance) P-C4' energy: -183.065 flat angles C4'-P-C4' energy: -199.190 flat angles P-C4'-P energy: -116.074 tors. eta vs tors. theta energy: -173.186 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: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1893.283724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.283724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.283724 (E_RNA) where: Base-Base interactions energy: -1129.288 where: short stacking energy: -724.433 Base-Backbone interact. energy: 3.637 local terms energy: -767.631864 where: bonds (distance) C4'-P energy: -165.374 bonds (distance) P-C4' energy: -179.492 flat angles C4'-P-C4' energy: -146.293 flat angles P-C4'-P energy: -115.875 tors. eta vs tors. theta energy: -160.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1542.291823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.291823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.291823 (E_RNA) where: Base-Base interactions energy: -839.298 where: short stacking energy: -588.601 Base-Backbone interact. energy: -2.831 local terms energy: -700.162847 where: bonds (distance) C4'-P energy: -168.179 bonds (distance) P-C4' energy: -171.233 flat angles C4'-P-C4' energy: -162.110 flat angles P-C4'-P energy: -93.072 tors. eta vs tors. theta energy: -105.568 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: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1355.778863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.778863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.778863 (E_RNA) where: Base-Base interactions energy: -679.725 where: short stacking energy: -505.014 Base-Backbone interact. energy: 2.967 local terms energy: -679.020911 where: bonds (distance) C4'-P energy: -176.086 bonds (distance) P-C4' energy: -159.135 flat angles C4'-P-C4' energy: -150.162 flat angles P-C4'-P energy: -112.999 tors. eta vs tors. theta energy: -80.639 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: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1071.074430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.074430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.074430 (E_RNA) where: Base-Base interactions energy: -530.940 where: short stacking energy: -388.051 Base-Backbone interact. energy: -4.309 local terms energy: -535.825414 where: bonds (distance) C4'-P energy: -161.100 bonds (distance) P-C4' energy: -151.782 flat angles C4'-P-C4' energy: -134.105 flat angles P-C4'-P energy: -72.073 tors. eta vs tors. theta energy: -16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -934.229582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.229582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.229582 (E_RNA) where: Base-Base interactions energy: -425.908 where: short stacking energy: -318.865 Base-Backbone interact. energy: 3.843 local terms energy: -512.164496 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -165.944 flat angles C4'-P-C4' energy: -133.884 flat angles P-C4'-P energy: -86.408 tors. eta vs tors. theta energy: 12.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -862.474573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.474573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.474573 (E_RNA) where: Base-Base interactions energy: -380.174 where: short stacking energy: -328.113 Base-Backbone interact. energy: 2.872 local terms energy: -485.172689 where: bonds (distance) C4'-P energy: -114.094 bonds (distance) P-C4' energy: -144.024 flat angles C4'-P-C4' energy: -129.763 flat angles P-C4'-P energy: -86.244 tors. eta vs tors. theta energy: -11.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -762.751409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.751409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.751409 (E_RNA) where: Base-Base interactions energy: -306.219 where: short stacking energy: -240.832 Base-Backbone interact. energy: 2.186 local terms energy: -458.718763 where: bonds (distance) C4'-P energy: -154.750 bonds (distance) P-C4' energy: -153.382 flat angles C4'-P-C4' energy: -87.082 flat angles P-C4'-P energy: -79.406 tors. eta vs tors. theta energy: 15.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2342.766648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.766648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.766648 (E_RNA) where: Base-Base interactions energy: -1442.361 where: short stacking energy: -885.679 Base-Backbone interact. energy: -3.712 local terms energy: -896.693030 where: bonds (distance) C4'-P energy: -175.588 bonds (distance) P-C4' energy: -193.004 flat angles C4'-P-C4' energy: -208.157 flat angles P-C4'-P energy: -121.275 tors. eta vs tors. theta energy: -198.669 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: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2304.214927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.214927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.214927 (E_RNA) where: Base-Base interactions energy: -1420.343 where: short stacking energy: -863.567 Base-Backbone interact. energy: 0.962 local terms energy: -884.834151 where: bonds (distance) C4'-P energy: -177.904 bonds (distance) P-C4' energy: -182.813 flat angles C4'-P-C4' energy: -203.221 flat angles P-C4'-P energy: -113.144 tors. eta vs tors. theta energy: -207.752 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: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1956.099171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.099171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.099171 (E_RNA) where: Base-Base interactions energy: -1140.603 where: short stacking energy: -745.951 Base-Backbone interact. energy: -2.637 local terms energy: -812.858705 where: bonds (distance) C4'-P energy: -147.675 bonds (distance) P-C4' energy: -175.805 flat angles C4'-P-C4' energy: -187.835 flat angles P-C4'-P energy: -134.364 tors. eta vs tors. theta energy: -167.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1879.586889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.586889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.586889 (E_RNA) where: Base-Base interactions energy: -1115.562 where: short stacking energy: -689.988 Base-Backbone interact. energy: -3.769 local terms energy: -760.255303 where: bonds (distance) C4'-P energy: -161.805 bonds (distance) P-C4' energy: -175.561 flat angles C4'-P-C4' energy: -169.293 flat angles P-C4'-P energy: -102.760 tors. eta vs tors. theta energy: -150.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1578.570078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.570078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.570078 (E_RNA) where: Base-Base interactions energy: -855.971 where: short stacking energy: -557.506 Base-Backbone interact. energy: -0.690 local terms energy: -721.908205 where: bonds (distance) C4'-P energy: -175.656 bonds (distance) P-C4' energy: -169.166 flat angles C4'-P-C4' energy: -176.553 flat angles P-C4'-P energy: -110.531 tors. eta vs tors. theta energy: -90.003 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: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1271.127049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.127049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.127049 (E_RNA) where: Base-Base interactions energy: -586.942 where: short stacking energy: -446.570 Base-Backbone interact. energy: -1.674 local terms energy: -682.510835 where: bonds (distance) C4'-P energy: -170.069 bonds (distance) P-C4' energy: -177.715 flat angles C4'-P-C4' energy: -152.470 flat angles P-C4'-P energy: -116.285 tors. eta vs tors. theta energy: -65.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1075.661871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.661871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.661871 (E_RNA) where: Base-Base interactions energy: -506.228 where: short stacking energy: -418.227 Base-Backbone interact. energy: -1.193 local terms energy: -568.240143 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -148.613 flat angles C4'-P-C4' energy: -128.702 flat angles P-C4'-P energy: -88.269 tors. eta vs tors. theta energy: -47.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -915.920166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.920166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.920166 (E_RNA) where: Base-Base interactions energy: -411.208 where: short stacking energy: -336.366 Base-Backbone interact. energy: 0.820 local terms energy: -505.532349 where: bonds (distance) C4'-P energy: -143.781 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -147.278 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -17.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -877.215908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.215908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.215908 (E_RNA) where: Base-Base interactions energy: -362.104 where: short stacking energy: -313.228 Base-Backbone interact. energy: 0.733 local terms energy: -515.845228 where: bonds (distance) C4'-P energy: -152.563 bonds (distance) P-C4' energy: -161.810 flat angles C4'-P-C4' energy: -114.114 flat angles P-C4'-P energy: -79.587 tors. eta vs tors. theta energy: -7.771 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: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -768.938048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.938048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.938048 (E_RNA) where: Base-Base interactions energy: -306.037 where: short stacking energy: -278.221 Base-Backbone interact. energy: 6.884 local terms energy: -469.785442 where: bonds (distance) C4'-P energy: -135.180 bonds (distance) P-C4' energy: -142.516 flat angles C4'-P-C4' energy: -120.438 flat angles P-C4'-P energy: -93.929 tors. eta vs tors. theta energy: 22.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2449.266247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.266247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.266247 (E_RNA) where: Base-Base interactions energy: -1510.797 where: short stacking energy: -909.232 Base-Backbone interact. energy: -4.682 local terms energy: -933.787528 where: bonds (distance) C4'-P energy: -175.343 bonds (distance) P-C4' energy: -190.275 flat angles C4'-P-C4' energy: -203.806 flat angles P-C4'-P energy: -141.939 tors. eta vs tors. theta energy: -222.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2243.082978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.082978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.082978 (E_RNA) where: Base-Base interactions energy: -1358.771 where: short stacking energy: -852.508 Base-Backbone interact. energy: -2.064 local terms energy: -882.248203 where: bonds (distance) C4'-P energy: -178.252 bonds (distance) P-C4' energy: -161.977 flat angles C4'-P-C4' energy: -206.317 flat angles P-C4'-P energy: -131.813 tors. eta vs tors. theta energy: -203.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1956.275458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.275458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.275458 (E_RNA) where: Base-Base interactions energy: -1122.914 where: short stacking energy: -760.223 Base-Backbone interact. energy: -3.486 local terms energy: -829.875041 where: bonds (distance) C4'-P energy: -186.637 bonds (distance) P-C4' energy: -186.923 flat angles C4'-P-C4' energy: -170.251 flat angles P-C4'-P energy: -124.258 tors. eta vs tors. theta energy: -161.806 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: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1807.627795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.627795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.627795 (E_RNA) where: Base-Base interactions energy: -1017.475 where: short stacking energy: -665.337 Base-Backbone interact. energy: 0.189 local terms energy: -790.342141 where: bonds (distance) C4'-P energy: -148.303 bonds (distance) P-C4' energy: -188.829 flat angles C4'-P-C4' energy: -179.695 flat angles P-C4'-P energy: -124.231 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: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1591.496307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.496307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.496307 (E_RNA) where: Base-Base interactions energy: -884.664 where: short stacking energy: -584.147 Base-Backbone interact. energy: -3.106 local terms energy: -703.725620 where: bonds (distance) C4'-P energy: -156.465 bonds (distance) P-C4' energy: -160.420 flat angles C4'-P-C4' energy: -167.399 flat angles P-C4'-P energy: -118.559 tors. eta vs tors. theta energy: -100.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1377.106987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.106987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.106987 (E_RNA) where: Base-Base interactions energy: -713.118 where: short stacking energy: -502.743 Base-Backbone interact. energy: -4.856 local terms energy: -659.132986 where: bonds (distance) C4'-P energy: -164.585 bonds (distance) P-C4' energy: -162.847 flat angles C4'-P-C4' energy: -150.857 flat angles P-C4'-P energy: -110.208 tors. eta vs tors. theta energy: -70.636 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: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1093.502455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.502455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.502455 (E_RNA) where: Base-Base interactions energy: -523.171 where: short stacking energy: -388.770 Base-Backbone interact. energy: 7.392 local terms energy: -577.723426 where: bonds (distance) C4'-P energy: -161.232 bonds (distance) P-C4' energy: -166.239 flat angles C4'-P-C4' energy: -150.339 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: -26.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -960.848952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.848952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.848952 (E_RNA) where: Base-Base interactions energy: -432.685 where: short stacking energy: -374.582 Base-Backbone interact. energy: -0.318 local terms energy: -527.845494 where: bonds (distance) C4'-P energy: -125.064 bonds (distance) P-C4' energy: -161.019 flat angles C4'-P-C4' energy: -134.510 flat angles P-C4'-P energy: -77.186 tors. eta vs tors. theta energy: -30.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -841.684181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.684181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.684181 (E_RNA) where: Base-Base interactions energy: -360.710 where: short stacking energy: -299.098 Base-Backbone interact. energy: -4.078 local terms energy: -476.896558 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -152.805 flat angles C4'-P-C4' energy: -135.273 flat angles P-C4'-P energy: -81.379 tors. eta vs tors. theta energy: 42.374 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: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -754.453499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.453499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.453499 (E_RNA) where: Base-Base interactions energy: -279.224 where: short stacking energy: -245.965 Base-Backbone interact. energy: 7.960 local terms energy: -483.189807 where: bonds (distance) C4'-P energy: -144.327 bonds (distance) P-C4' energy: -165.963 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -68.495 tors. eta vs tors. theta energy: 30.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2454.139350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.139350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.139350 (E_RNA) where: Base-Base interactions energy: -1499.291 where: short stacking energy: -918.387 Base-Backbone interact. energy: -0.967 local terms energy: -953.880498 where: bonds (distance) C4'-P energy: -193.278 bonds (distance) P-C4' energy: -177.589 flat angles C4'-P-C4' energy: -213.260 flat angles P-C4'-P energy: -146.914 tors. eta vs tors. theta energy: -222.839 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: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2201.778352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.778352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.778352 (E_RNA) where: Base-Base interactions energy: -1327.871 where: short stacking energy: -803.147 Base-Backbone interact. energy: -4.328 local terms energy: -869.579722 where: bonds (distance) C4'-P energy: -180.937 bonds (distance) P-C4' energy: -189.524 flat angles C4'-P-C4' energy: -188.533 flat angles P-C4'-P energy: -119.417 tors. eta vs tors. theta energy: -191.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1930.207086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.207086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.207086 (E_RNA) where: Base-Base interactions energy: -1120.843 where: short stacking energy: -717.897 Base-Backbone interact. energy: -3.686 local terms energy: -805.678536 where: bonds (distance) C4'-P energy: -171.161 bonds (distance) P-C4' energy: -171.268 flat angles C4'-P-C4' energy: -169.604 flat angles P-C4'-P energy: -137.376 tors. eta vs tors. theta energy: -156.270 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: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1837.332017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.332017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.332017 (E_RNA) where: Base-Base interactions energy: -1072.067 where: short stacking energy: -675.407 Base-Backbone interact. energy: -4.110 local terms energy: -761.154664 where: bonds (distance) C4'-P energy: -132.816 bonds (distance) P-C4' energy: -179.036 flat angles C4'-P-C4' energy: -183.473 flat angles P-C4'-P energy: -121.893 tors. eta vs tors. theta energy: -143.936 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: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1589.174033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.174033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.174033 (E_RNA) where: Base-Base interactions energy: -898.605 where: short stacking energy: -596.819 Base-Backbone interact. energy: -3.997 local terms energy: -686.572316 where: bonds (distance) C4'-P energy: -162.959 bonds (distance) P-C4' energy: -153.966 flat angles C4'-P-C4' energy: -162.555 flat angles P-C4'-P energy: -97.903 tors. eta vs tors. theta energy: -109.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1359.869548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.869548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.869548 (E_RNA) where: Base-Base interactions energy: -743.383 where: short stacking energy: -502.092 Base-Backbone interact. energy: -4.319 local terms energy: -612.168149 where: bonds (distance) C4'-P energy: -149.560 bonds (distance) P-C4' energy: -165.449 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: -75.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1050.803115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.803115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.803115 (E_RNA) where: Base-Base interactions energy: -481.876 where: short stacking energy: -382.169 Base-Backbone interact. energy: 4.458 local terms energy: -573.384930 where: bonds (distance) C4'-P energy: -156.522 bonds (distance) P-C4' energy: -167.626 flat angles C4'-P-C4' energy: -157.368 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -27.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -901.987104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.987104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.987104 (E_RNA) where: Base-Base interactions energy: -369.757 where: short stacking energy: -344.588 Base-Backbone interact. energy: -4.169 local terms energy: -528.061777 where: bonds (distance) C4'-P energy: -117.545 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -146.965 flat angles P-C4'-P energy: -91.020 tors. eta vs tors. theta energy: -12.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -855.185125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.185125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.185125 (E_RNA) where: Base-Base interactions energy: -346.794 where: short stacking energy: -296.833 Base-Backbone interact. energy: -1.944 local terms energy: -506.447451 where: bonds (distance) C4'-P energy: -135.200 bonds (distance) P-C4' energy: -146.596 flat angles C4'-P-C4' energy: -151.753 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -768.531530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.531530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.531530 (E_RNA) where: Base-Base interactions energy: -309.809 where: short stacking energy: -274.382 Base-Backbone interact. energy: 0.527 local terms energy: -459.249646 where: bonds (distance) C4'-P energy: -142.466 bonds (distance) P-C4' energy: -154.543 flat angles C4'-P-C4' energy: -121.127 flat angles P-C4'-P energy: -70.510 tors. eta vs tors. theta energy: 29.396 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: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2417.461510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.461510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.461510 (E_RNA) where: Base-Base interactions energy: -1478.675 where: short stacking energy: -946.456 Base-Backbone interact. energy: -1.551 local terms energy: -937.235626 where: bonds (distance) C4'-P energy: -181.117 bonds (distance) P-C4' energy: -184.069 flat angles C4'-P-C4' energy: -214.750 flat angles P-C4'-P energy: -128.925 tors. eta vs tors. theta energy: -228.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2203.592185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.592185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.592185 (E_RNA) where: Base-Base interactions energy: -1320.569 where: short stacking energy: -818.145 Base-Backbone interact. energy: -4.338 local terms energy: -878.685054 where: bonds (distance) C4'-P energy: -186.056 bonds (distance) P-C4' energy: -172.995 flat angles C4'-P-C4' energy: -188.934 flat angles P-C4'-P energy: -120.790 tors. eta vs tors. theta energy: -209.910 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: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1949.321545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.321545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.321545 (E_RNA) where: Base-Base interactions energy: -1115.531 where: short stacking energy: -775.937 Base-Backbone interact. energy: -3.581 local terms energy: -830.208768 where: bonds (distance) C4'-P energy: -174.296 bonds (distance) P-C4' energy: -177.643 flat angles C4'-P-C4' energy: -182.343 flat angles P-C4'-P energy: -124.017 tors. eta vs tors. theta energy: -171.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1885.907684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.907684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.907684 (E_RNA) where: Base-Base interactions energy: -1091.665 where: short stacking energy: -698.144 Base-Backbone interact. energy: -2.574 local terms energy: -791.669002 where: bonds (distance) C4'-P energy: -166.654 bonds (distance) P-C4' energy: -179.533 flat angles C4'-P-C4' energy: -186.799 flat angles P-C4'-P energy: -109.962 tors. eta vs tors. theta energy: -148.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1593.247134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.247134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.247134 (E_RNA) where: Base-Base interactions energy: -914.356 where: short stacking energy: -612.460 Base-Backbone interact. energy: 4.708 local terms energy: -683.599806 where: bonds (distance) C4'-P energy: -158.820 bonds (distance) P-C4' energy: -167.263 flat angles C4'-P-C4' energy: -162.732 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -101.103 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: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1364.337569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.337569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.337569 (E_RNA) where: Base-Base interactions energy: -711.234 where: short stacking energy: -499.875 Base-Backbone interact. energy: 2.102 local terms energy: -655.205198 where: bonds (distance) C4'-P energy: -158.172 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -167.140 flat angles P-C4'-P energy: -89.832 tors. eta vs tors. theta energy: -84.267 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: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1078.160515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.160515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.160515 (E_RNA) where: Base-Base interactions energy: -494.294 where: short stacking energy: -408.335 Base-Backbone interact. energy: 2.215 local terms energy: -586.081283 where: bonds (distance) C4'-P energy: -150.467 bonds (distance) P-C4' energy: -166.219 flat angles C4'-P-C4' energy: -150.342 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: -35.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -953.034732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.034732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.034732 (E_RNA) where: Base-Base interactions energy: -389.223 where: short stacking energy: -356.784 Base-Backbone interact. energy: -2.641 local terms energy: -561.170628 where: bonds (distance) C4'-P energy: -136.676 bonds (distance) P-C4' energy: -180.427 flat angles C4'-P-C4' energy: -121.457 flat angles P-C4'-P energy: -117.720 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -834.750222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.750222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.750222 (E_RNA) where: Base-Base interactions energy: -326.336 where: short stacking energy: -273.522 Base-Backbone interact. energy: -0.718 local terms energy: -507.696154 where: bonds (distance) C4'-P energy: -147.749 bonds (distance) P-C4' energy: -165.010 flat angles C4'-P-C4' energy: -135.336 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: 15.477 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: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -783.859134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.859134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.859134 (E_RNA) where: Base-Base interactions energy: -308.222 where: short stacking energy: -266.757 Base-Backbone interact. energy: -2.135 local terms energy: -473.502412 where: bonds (distance) C4'-P energy: -129.210 bonds (distance) P-C4' energy: -136.835 flat angles C4'-P-C4' energy: -127.003 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: 5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2451.327857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.327857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.327857 (E_RNA) where: Base-Base interactions energy: -1519.436 where: short stacking energy: -933.001 Base-Backbone interact. energy: 0.592 local terms energy: -932.484093 where: bonds (distance) C4'-P energy: -158.006 bonds (distance) P-C4' energy: -194.521 flat angles C4'-P-C4' energy: -198.411 flat angles P-C4'-P energy: -150.405 tors. eta vs tors. theta energy: -231.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2188.347548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.347548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.347548 (E_RNA) where: Base-Base interactions energy: -1335.146 where: short stacking energy: -835.347 Base-Backbone interact. energy: -2.547 local terms energy: -850.654279 where: bonds (distance) C4'-P energy: -167.156 bonds (distance) P-C4' energy: -178.050 flat angles C4'-P-C4' energy: -186.641 flat angles P-C4'-P energy: -123.191 tors. eta vs tors. theta energy: -195.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1986.594106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.594106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.594106 (E_RNA) where: Base-Base interactions energy: -1180.136 where: short stacking energy: -740.470 Base-Backbone interact. energy: -1.739 local terms energy: -804.719231 where: bonds (distance) C4'-P energy: -159.941 bonds (distance) P-C4' energy: -176.845 flat angles C4'-P-C4' energy: -181.638 flat angles P-C4'-P energy: -127.076 tors. eta vs tors. theta energy: -159.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1893.048735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.048735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.048735 (E_RNA) where: Base-Base interactions energy: -1102.021 where: short stacking energy: -700.422 Base-Backbone interact. energy: -0.926 local terms energy: -790.101160 where: bonds (distance) C4'-P energy: -161.532 bonds (distance) P-C4' energy: -172.606 flat angles C4'-P-C4' energy: -178.894 flat angles P-C4'-P energy: -111.911 tors. eta vs tors. theta energy: -165.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1587.481373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.481373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.481373 (E_RNA) where: Base-Base interactions energy: -897.978 where: short stacking energy: -594.821 Base-Backbone interact. energy: 0.011 local terms energy: -689.513943 where: bonds (distance) C4'-P energy: -172.289 bonds (distance) P-C4' energy: -165.666 flat angles C4'-P-C4' energy: -167.914 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -106.270 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: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1337.131961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.131961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.131961 (E_RNA) where: Base-Base interactions energy: -697.666 where: short stacking energy: -499.619 Base-Backbone interact. energy: 0.001 local terms energy: -639.467718 where: bonds (distance) C4'-P energy: -154.051 bonds (distance) P-C4' energy: -159.797 flat angles C4'-P-C4' energy: -154.203 flat angles P-C4'-P energy: -106.363 tors. eta vs tors. theta energy: -65.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1108.422937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.422937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.422937 (E_RNA) where: Base-Base interactions energy: -527.931 where: short stacking energy: -433.177 Base-Backbone interact. energy: 2.653 local terms energy: -583.144897 where: bonds (distance) C4'-P energy: -159.674 bonds (distance) P-C4' energy: -156.125 flat angles C4'-P-C4' energy: -154.640 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -22.103 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: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -908.100827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.100827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.100827 (E_RNA) where: Base-Base interactions energy: -391.034 where: short stacking energy: -349.779 Base-Backbone interact. energy: -0.018 local terms energy: -517.049511 where: bonds (distance) C4'-P energy: -151.581 bonds (distance) P-C4' energy: -146.679 flat angles C4'-P-C4' energy: -139.534 flat angles P-C4'-P energy: -79.568 tors. eta vs tors. theta energy: 0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -877.559066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.559066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.559066 (E_RNA) where: Base-Base interactions energy: -398.518 where: short stacking energy: -355.714 Base-Backbone interact. energy: 3.208 local terms energy: -482.248770 where: bonds (distance) C4'-P energy: -122.853 bonds (distance) P-C4' energy: -149.671 flat angles C4'-P-C4' energy: -120.209 flat angles P-C4'-P energy: -80.086 tors. eta vs tors. theta energy: -9.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -765.724399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.724399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.724399 (E_RNA) where: Base-Base interactions energy: -300.674 where: short stacking energy: -258.628 Base-Backbone interact. energy: 0.168 local terms energy: -465.218822 where: bonds (distance) C4'-P energy: -142.176 bonds (distance) P-C4' energy: -146.295 flat angles C4'-P-C4' energy: -125.191 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: 23.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2479.373993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.373993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.373993 (E_RNA) where: Base-Base interactions energy: -1549.540 where: short stacking energy: -967.590 Base-Backbone interact. energy: -4.584 local terms energy: -925.250054 where: bonds (distance) C4'-P energy: -176.675 bonds (distance) P-C4' energy: -174.271 flat angles C4'-P-C4' energy: -204.741 flat angles P-C4'-P energy: -121.260 tors. eta vs tors. theta energy: -248.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2134.148804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.148804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.148804 (E_RNA) where: Base-Base interactions energy: -1263.855 where: short stacking energy: -817.336 Base-Backbone interact. energy: -3.272 local terms energy: -867.021695 where: bonds (distance) C4'-P energy: -167.030 bonds (distance) P-C4' energy: -196.069 flat angles C4'-P-C4' energy: -196.965 flat angles P-C4'-P energy: -125.785 tors. eta vs tors. theta energy: -181.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1990.729152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.729152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.729152 (E_RNA) where: Base-Base interactions energy: -1161.055 where: short stacking energy: -755.111 Base-Backbone interact. energy: 2.960 local terms energy: -832.634878 where: bonds (distance) C4'-P energy: -171.084 bonds (distance) P-C4' energy: -183.512 flat angles C4'-P-C4' energy: -186.526 flat angles P-C4'-P energy: -132.458 tors. eta vs tors. theta energy: -159.056 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: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1940.068443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.068443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.068443 (E_RNA) where: Base-Base interactions energy: -1132.810 where: short stacking energy: -720.012 Base-Backbone interact. energy: -0.807 local terms energy: -806.451037 where: bonds (distance) C4'-P energy: -157.818 bonds (distance) P-C4' energy: -183.135 flat angles C4'-P-C4' energy: -194.383 flat angles P-C4'-P energy: -104.588 tors. eta vs tors. theta energy: -166.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1629.595537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.595537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.595537 (E_RNA) where: Base-Base interactions energy: -905.664 where: short stacking energy: -623.229 Base-Backbone interact. energy: -3.690 local terms energy: -720.241437 where: bonds (distance) C4'-P energy: -158.225 bonds (distance) P-C4' energy: -175.347 flat angles C4'-P-C4' energy: -178.800 flat angles P-C4'-P energy: -97.154 tors. eta vs tors. theta energy: -110.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1369.717184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.717184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.717184 (E_RNA) where: Base-Base interactions energy: -725.848 where: short stacking energy: -503.196 Base-Backbone interact. energy: -1.960 local terms energy: -641.909305 where: bonds (distance) C4'-P energy: -152.225 bonds (distance) P-C4' energy: -138.685 flat angles C4'-P-C4' energy: -159.000 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -84.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1115.167661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.167661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.167661 (E_RNA) where: Base-Base interactions energy: -509.652 where: short stacking energy: -417.779 Base-Backbone interact. energy: 0.969 local terms energy: -606.484271 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -152.664 flat angles C4'-P-C4' energy: -165.881 flat angles P-C4'-P energy: -85.462 tors. eta vs tors. theta energy: -56.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -947.623278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.623278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.623278 (E_RNA) where: Base-Base interactions energy: -432.202 where: short stacking energy: -368.927 Base-Backbone interact. energy: 1.725 local terms energy: -517.146526 where: bonds (distance) C4'-P energy: -114.758 bonds (distance) P-C4' energy: -163.277 flat angles C4'-P-C4' energy: -137.902 flat angles P-C4'-P energy: -89.347 tors. eta vs tors. theta energy: -11.862 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: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -878.547863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.547863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.547863 (E_RNA) where: Base-Base interactions energy: -379.332 where: short stacking energy: -334.052 Base-Backbone interact. energy: -4.667 local terms energy: -494.549730 where: bonds (distance) C4'-P energy: -129.376 bonds (distance) P-C4' energy: -150.366 flat angles C4'-P-C4' energy: -140.940 flat angles P-C4'-P energy: -77.400 tors. eta vs tors. theta energy: 3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -799.909925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.909925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.909925 (E_RNA) where: Base-Base interactions energy: -329.516 where: short stacking energy: -267.903 Base-Backbone interact. energy: -4.388 local terms energy: -466.006587 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -149.210 flat angles C4'-P-C4' energy: -119.359 flat angles P-C4'-P energy: -78.358 tors. eta vs tors. theta energy: 6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2429.492392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.492392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.492392 (E_RNA) where: Base-Base interactions energy: -1526.345 where: short stacking energy: -927.118 Base-Backbone interact. energy: 1.677 local terms energy: -904.824689 where: bonds (distance) C4'-P energy: -180.027 bonds (distance) P-C4' energy: -170.851 flat angles C4'-P-C4' energy: -184.969 flat angles P-C4'-P energy: -130.861 tors. eta vs tors. theta energy: -238.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2089.735147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.735147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.735147 (E_RNA) where: Base-Base interactions energy: -1237.023 where: short stacking energy: -822.588 Base-Backbone interact. energy: 1.603 local terms energy: -854.315203 where: bonds (distance) C4'-P energy: -170.170 bonds (distance) P-C4' energy: -175.249 flat angles C4'-P-C4' energy: -189.718 flat angles P-C4'-P energy: -122.495 tors. eta vs tors. theta energy: -196.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2017.552253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.552253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.552253 (E_RNA) where: Base-Base interactions energy: -1202.800 where: short stacking energy: -757.601 Base-Backbone interact. energy: -5.930 local terms energy: -808.821632 where: bonds (distance) C4'-P energy: -153.277 bonds (distance) P-C4' energy: -173.366 flat angles C4'-P-C4' energy: -174.443 flat angles P-C4'-P energy: -135.289 tors. eta vs tors. theta energy: -172.447 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: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1881.087979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.087979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.087979 (E_RNA) where: Base-Base interactions energy: -1120.003 where: short stacking energy: -726.772 Base-Backbone interact. energy: -2.143 local terms energy: -758.941502 where: bonds (distance) C4'-P energy: -160.883 bonds (distance) P-C4' energy: -177.588 flat angles C4'-P-C4' energy: -160.774 flat angles P-C4'-P energy: -112.777 tors. eta vs tors. theta energy: -146.920 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: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1612.661515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.661515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.661515 (E_RNA) where: Base-Base interactions energy: -902.885 where: short stacking energy: -590.523 Base-Backbone interact. energy: -3.075 local terms energy: -706.701441 where: bonds (distance) C4'-P energy: -149.624 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -164.937 flat angles P-C4'-P energy: -114.486 tors. eta vs tors. theta energy: -108.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1238.186792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.186792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.186792 (E_RNA) where: Base-Base interactions energy: -622.561 where: short stacking energy: -449.589 Base-Backbone interact. energy: -4.373 local terms energy: -611.252091 where: bonds (distance) C4'-P energy: -167.923 bonds (distance) P-C4' energy: -156.710 flat angles C4'-P-C4' energy: -148.995 flat angles P-C4'-P energy: -81.855 tors. eta vs tors. theta energy: -55.769 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: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1109.318709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.318709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.318709 (E_RNA) where: Base-Base interactions energy: -524.115 where: short stacking energy: -380.846 Base-Backbone interact. energy: 2.923 local terms energy: -588.126224 where: bonds (distance) C4'-P energy: -163.726 bonds (distance) P-C4' energy: -162.433 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -90.151 tors. eta vs tors. theta energy: -34.376 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: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -902.625366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.625366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.625366 (E_RNA) where: Base-Base interactions energy: -363.901 where: short stacking energy: -288.931 Base-Backbone interact. energy: 4.087 local terms energy: -542.810630 where: bonds (distance) C4'-P energy: -144.765 bonds (distance) P-C4' energy: -169.645 flat angles C4'-P-C4' energy: -152.865 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -8.454 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: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -872.477944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.477944 (E_RNA) where: Base-Base interactions energy: -373.402 where: short stacking energy: -329.831 Base-Backbone interact. energy: 1.844 local terms energy: -500.919775 where: bonds (distance) C4'-P energy: -135.874 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -125.104 flat angles P-C4'-P energy: -73.163 tors. eta vs tors. theta energy: -6.318 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: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -759.151284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.151284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.151284 (E_RNA) where: Base-Base interactions energy: -283.172 where: short stacking energy: -266.712 Base-Backbone interact. energy: 3.952 local terms energy: -479.930614 where: bonds (distance) C4'-P energy: -150.617 bonds (distance) P-C4' energy: -146.846 flat angles C4'-P-C4' energy: -120.954 flat angles P-C4'-P energy: -69.563 tors. eta vs tors. theta energy: 8.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2432.849393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.849393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.849393 (E_RNA) where: Base-Base interactions energy: -1453.851 where: short stacking energy: -893.006 Base-Backbone interact. energy: -7.948 local terms energy: -971.049969 where: bonds (distance) C4'-P energy: -184.764 bonds (distance) P-C4' energy: -204.800 flat angles C4'-P-C4' energy: -201.696 flat angles P-C4'-P energy: -135.784 tors. eta vs tors. theta energy: -244.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2111.385005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.385005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.385005 (E_RNA) where: Base-Base interactions energy: -1252.699 where: short stacking energy: -821.770 Base-Backbone interact. energy: -2.773 local terms energy: -855.912800 where: bonds (distance) C4'-P energy: -163.953 bonds (distance) P-C4' energy: -177.377 flat angles C4'-P-C4' energy: -206.758 flat angles P-C4'-P energy: -116.545 tors. eta vs tors. theta energy: -191.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1984.309675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.309675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.309675 (E_RNA) where: Base-Base interactions energy: -1165.596 where: short stacking energy: -746.666 Base-Backbone interact. energy: -2.392 local terms energy: -816.321857 where: bonds (distance) C4'-P energy: -158.632 bonds (distance) P-C4' energy: -171.021 flat angles C4'-P-C4' energy: -183.706 flat angles P-C4'-P energy: -134.012 tors. eta vs tors. theta energy: -168.950 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: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1883.905334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.905334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.905334 (E_RNA) where: Base-Base interactions energy: -1063.795 where: short stacking energy: -663.030 Base-Backbone interact. energy: -1.441 local terms energy: -818.669210 where: bonds (distance) C4'-P energy: -196.152 bonds (distance) P-C4' energy: -186.589 flat angles C4'-P-C4' energy: -177.327 flat angles P-C4'-P energy: -107.817 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: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1624.437589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.437589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.437589 (E_RNA) where: Base-Base interactions energy: -902.363 where: short stacking energy: -579.064 Base-Backbone interact. energy: -1.115 local terms energy: -720.959506 where: bonds (distance) C4'-P energy: -179.239 bonds (distance) P-C4' energy: -155.817 flat angles C4'-P-C4' energy: -177.268 flat angles P-C4'-P energy: -103.740 tors. eta vs tors. theta energy: -104.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1318.514710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.514710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.514710 (E_RNA) where: Base-Base interactions energy: -704.026 where: short stacking energy: -492.462 Base-Backbone interact. energy: -2.766 local terms energy: -611.723199 where: bonds (distance) C4'-P energy: -137.558 bonds (distance) P-C4' energy: -175.190 flat angles C4'-P-C4' energy: -142.816 flat angles P-C4'-P energy: -87.202 tors. eta vs tors. theta energy: -68.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1143.355288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.355288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.355288 (E_RNA) where: Base-Base interactions energy: -555.969 where: short stacking energy: -410.704 Base-Backbone interact. energy: -3.702 local terms energy: -583.684169 where: bonds (distance) C4'-P energy: -152.875 bonds (distance) P-C4' energy: -159.760 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -87.064 tors. eta vs tors. theta energy: -27.665 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: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -938.550978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.550978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.550978 (E_RNA) where: Base-Base interactions energy: -421.389 where: short stacking energy: -338.803 Base-Backbone interact. energy: 0.326 local terms energy: -517.488273 where: bonds (distance) C4'-P energy: -139.184 bonds (distance) P-C4' energy: -133.628 flat angles C4'-P-C4' energy: -124.037 flat angles P-C4'-P energy: -107.477 tors. eta vs tors. theta energy: -13.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -821.135538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.135538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.135538 (E_RNA) where: Base-Base interactions energy: -316.275 where: short stacking energy: -287.147 Base-Backbone interact. energy: 0.980 local terms energy: -505.841182 where: bonds (distance) C4'-P energy: -139.185 bonds (distance) P-C4' energy: -157.603 flat angles C4'-P-C4' energy: -129.337 flat angles P-C4'-P energy: -95.600 tors. eta vs tors. theta energy: 15.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -771.245828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.245828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.245828 (E_RNA) where: Base-Base interactions energy: -299.746 where: short stacking energy: -259.430 Base-Backbone interact. energy: 0.362 local terms energy: -471.861630 where: bonds (distance) C4'-P energy: -147.811 bonds (distance) P-C4' energy: -156.377 flat angles C4'-P-C4' energy: -118.132 flat angles P-C4'-P energy: -79.704 tors. eta vs tors. theta energy: 30.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2467.203946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.203946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.203946 (E_RNA) where: Base-Base interactions energy: -1512.407 where: short stacking energy: -947.135 Base-Backbone interact. energy: -2.543 local terms energy: -952.253645 where: bonds (distance) C4'-P energy: -202.922 bonds (distance) P-C4' energy: -186.819 flat angles C4'-P-C4' energy: -190.485 flat angles P-C4'-P energy: -141.323 tors. eta vs tors. theta energy: -230.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2094.187404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.187404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.187404 (E_RNA) where: Base-Base interactions energy: -1230.950 where: short stacking energy: -834.429 Base-Backbone interact. energy: -1.665 local terms energy: -861.573034 where: bonds (distance) C4'-P energy: -170.753 bonds (distance) P-C4' energy: -184.825 flat angles C4'-P-C4' energy: -191.268 flat angles P-C4'-P energy: -113.567 tors. eta vs tors. theta energy: -201.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2013.108259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.108259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.108259 (E_RNA) where: Base-Base interactions energy: -1197.946 where: short stacking energy: -765.817 Base-Backbone interact. energy: -6.701 local terms energy: -808.461561 where: bonds (distance) C4'-P energy: -160.173 bonds (distance) P-C4' energy: -170.051 flat angles C4'-P-C4' energy: -197.117 flat angles P-C4'-P energy: -129.899 tors. eta vs tors. theta energy: -151.222 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: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1835.590891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.590891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.590891 (E_RNA) where: Base-Base interactions energy: -1062.630 where: short stacking energy: -659.539 Base-Backbone interact. energy: 7.255 local terms energy: -780.215491 where: bonds (distance) C4'-P energy: -182.372 bonds (distance) P-C4' energy: -173.782 flat angles C4'-P-C4' energy: -173.351 flat angles P-C4'-P energy: -119.922 tors. eta vs tors. theta energy: -130.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1616.062933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.062933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.062933 (E_RNA) where: Base-Base interactions energy: -936.250 where: short stacking energy: -602.306 Base-Backbone interact. energy: 6.142 local terms energy: -685.955193 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -168.583 flat angles C4'-P-C4' energy: -160.077 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -106.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1308.847102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.847102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.847102 (E_RNA) where: Base-Base interactions energy: -680.308 where: short stacking energy: -483.585 Base-Backbone interact. energy: -0.360 local terms energy: -628.179027 where: bonds (distance) C4'-P energy: -151.966 bonds (distance) P-C4' energy: -155.595 flat angles C4'-P-C4' energy: -144.956 flat angles P-C4'-P energy: -93.052 tors. eta vs tors. theta energy: -82.610 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: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1138.689621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.689621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.689621 (E_RNA) where: Base-Base interactions energy: -568.137 where: short stacking energy: -449.007 Base-Backbone interact. energy: 2.861 local terms energy: -573.413590 where: bonds (distance) C4'-P energy: -166.299 bonds (distance) P-C4' energy: -138.918 flat angles C4'-P-C4' energy: -147.841 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -45.504 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: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -912.709540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.709540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.709540 (E_RNA) where: Base-Base interactions energy: -385.130 where: short stacking energy: -359.007 Base-Backbone interact. energy: -0.408 local terms energy: -527.171284 where: bonds (distance) C4'-P energy: -160.266 bonds (distance) P-C4' energy: -150.046 flat angles C4'-P-C4' energy: -135.616 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -8.162 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -869.915137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.915137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.915137 (E_RNA) where: Base-Base interactions energy: -376.979 where: short stacking energy: -303.190 Base-Backbone interact. energy: 0.775 local terms energy: -493.711612 where: bonds (distance) C4'-P energy: -133.519 bonds (distance) P-C4' energy: -157.451 flat angles C4'-P-C4' energy: -139.929 flat angles P-C4'-P energy: -80.642 tors. eta vs tors. theta energy: 17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -757.862830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.862830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.862830 (E_RNA) where: Base-Base interactions energy: -311.422 where: short stacking energy: -261.037 Base-Backbone interact. energy: 4.603 local terms energy: -451.043327 where: bonds (distance) C4'-P energy: -142.562 bonds (distance) P-C4' energy: -130.420 flat angles C4'-P-C4' energy: -130.624 flat angles P-C4'-P energy: -64.250 tors. eta vs tors. theta energy: 16.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2484.576529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.576529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.576529 (E_RNA) where: Base-Base interactions energy: -1547.144 where: short stacking energy: -963.017 Base-Backbone interact. energy: -1.794 local terms energy: -935.637830 where: bonds (distance) C4'-P energy: -188.774 bonds (distance) P-C4' energy: -185.842 flat angles C4'-P-C4' energy: -199.571 flat angles P-C4'-P energy: -110.914 tors. eta vs tors. theta energy: -250.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2188.243516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.243516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.243516 (E_RNA) where: Base-Base interactions energy: -1322.526 where: short stacking energy: -883.787 Base-Backbone interact. energy: -4.038 local terms energy: -861.679932 where: bonds (distance) C4'-P energy: -181.015 bonds (distance) P-C4' energy: -169.028 flat angles C4'-P-C4' energy: -177.798 flat angles P-C4'-P energy: -128.273 tors. eta vs tors. theta energy: -205.566 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: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1978.902880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.902880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.902880 (E_RNA) where: Base-Base interactions energy: -1180.342 where: short stacking energy: -764.756 Base-Backbone interact. energy: -0.994 local terms energy: -797.567012 where: bonds (distance) C4'-P energy: -163.263 bonds (distance) P-C4' energy: -166.281 flat angles C4'-P-C4' energy: -182.178 flat angles P-C4'-P energy: -114.557 tors. eta vs tors. theta energy: -171.288 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: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1905.002764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.002764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.002764 (E_RNA) where: Base-Base interactions energy: -1107.914 where: short stacking energy: -687.077 Base-Backbone interact. energy: 1.002 local terms energy: -798.090511 where: bonds (distance) C4'-P energy: -174.340 bonds (distance) P-C4' energy: -180.713 flat angles C4'-P-C4' energy: -170.318 flat angles P-C4'-P energy: -123.024 tors. eta vs tors. theta energy: -149.695 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1675.331570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.331570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.331570 (E_RNA) where: Base-Base interactions energy: -964.311 where: short stacking energy: -621.130 Base-Backbone interact. energy: -0.991 local terms energy: -710.030096 where: bonds (distance) C4'-P energy: -164.971 bonds (distance) P-C4' energy: -181.907 flat angles C4'-P-C4' energy: -176.986 flat angles P-C4'-P energy: -87.946 tors. eta vs tors. theta energy: -98.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1358.616989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.616989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.616989 (E_RNA) where: Base-Base interactions energy: -706.229 where: short stacking energy: -472.089 Base-Backbone interact. energy: 0.591 local terms energy: -652.978719 where: bonds (distance) C4'-P energy: -173.799 bonds (distance) P-C4' energy: -169.157 flat angles C4'-P-C4' energy: -154.087 flat angles P-C4'-P energy: -96.737 tors. eta vs tors. theta energy: -59.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1185.012269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.012269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.012269 (E_RNA) where: Base-Base interactions energy: -630.614 where: short stacking energy: -485.266 Base-Backbone interact. energy: 4.652 local terms energy: -559.050985 where: bonds (distance) C4'-P energy: -130.828 bonds (distance) P-C4' energy: -148.511 flat angles C4'-P-C4' energy: -151.848 flat angles P-C4'-P energy: -88.674 tors. eta vs tors. theta energy: -39.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -965.716595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.716595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.716595 (E_RNA) where: Base-Base interactions energy: -407.457 where: short stacking energy: -382.179 Base-Backbone interact. energy: 3.851 local terms energy: -562.110613 where: bonds (distance) C4'-P energy: -143.153 bonds (distance) P-C4' energy: -166.347 flat angles C4'-P-C4' energy: -142.719 flat angles P-C4'-P energy: -65.794 tors. eta vs tors. theta energy: -44.097 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: 94 Temperature: 1.300000 Total energy: -883.572531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.572531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.572531 (E_RNA) where: Base-Base interactions energy: -424.928 where: short stacking energy: -339.841 Base-Backbone interact. energy: -0.532 local terms energy: -458.113113 where: bonds (distance) C4'-P energy: -108.447 bonds (distance) P-C4' energy: -143.892 flat angles C4'-P-C4' energy: -146.158 flat angles P-C4'-P energy: -72.281 tors. eta vs tors. theta energy: 12.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -764.606811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.606811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.606811 (E_RNA) where: Base-Base interactions energy: -297.857 where: short stacking energy: -256.689 Base-Backbone interact. energy: 0.729 local terms energy: -467.478982 where: bonds (distance) C4'-P energy: -122.003 bonds (distance) P-C4' energy: -169.391 flat angles C4'-P-C4' energy: -121.007 flat angles P-C4'-P energy: -65.188 tors. eta vs tors. theta energy: 10.110 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: 95 Temperature: 0.900000 Total energy: -2501.995954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.995954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.995954 (E_RNA) where: Base-Base interactions energy: -1540.200 where: short stacking energy: -954.184 Base-Backbone interact. energy: -2.032 local terms energy: -959.764224 where: bonds (distance) C4'-P energy: -182.509 bonds (distance) P-C4' energy: -189.808 flat angles C4'-P-C4' energy: -200.092 flat angles P-C4'-P energy: -135.171 tors. eta vs tors. theta energy: -252.185 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: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2127.595903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.595903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.595903 (E_RNA) where: Base-Base interactions energy: -1256.516 where: short stacking energy: -837.843 Base-Backbone interact. energy: -4.738 local terms energy: -866.341842 where: bonds (distance) C4'-P energy: -162.493 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -195.386 flat angles P-C4'-P energy: -146.259 tors. eta vs tors. theta energy: -205.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2028.673585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.673585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.673585 (E_RNA) where: Base-Base interactions energy: -1195.148 where: short stacking energy: -737.272 Base-Backbone interact. energy: -1.302 local terms energy: -832.224140 where: bonds (distance) C4'-P energy: -185.308 bonds (distance) P-C4' energy: -179.642 flat angles C4'-P-C4' energy: -176.395 flat angles P-C4'-P energy: -127.657 tors. eta vs tors. theta energy: -163.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1872.941492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.941492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.941492 (E_RNA) where: Base-Base interactions energy: -1081.178 where: short stacking energy: -696.895 Base-Backbone interact. energy: -0.179 local terms energy: -791.584350 where: bonds (distance) C4'-P energy: -157.566 bonds (distance) P-C4' energy: -181.103 flat angles C4'-P-C4' energy: -179.840 flat angles P-C4'-P energy: -123.107 tors. eta vs tors. theta energy: -149.969 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: 95 Temperature: 1.100000 Total energy: -1693.370928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.370928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.370928 (E_RNA) where: Base-Base interactions energy: -974.304 where: short stacking energy: -602.208 Base-Backbone interact. energy: 2.399 local terms energy: -721.466547 where: bonds (distance) C4'-P energy: -167.155 bonds (distance) P-C4' energy: -179.137 flat angles C4'-P-C4' energy: -163.259 flat angles P-C4'-P energy: -97.753 tors. eta vs tors. theta energy: -114.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1380.873383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.873383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.873383 (E_RNA) where: Base-Base interactions energy: -744.700 where: short stacking energy: -514.491 Base-Backbone interact. energy: -4.933 local terms energy: -631.240844 where: bonds (distance) C4'-P energy: -155.455 bonds (distance) P-C4' energy: -157.783 flat angles C4'-P-C4' energy: -157.815 flat angles P-C4'-P energy: -85.013 tors. eta vs tors. theta energy: -75.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1161.887515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.887515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.887515 (E_RNA) where: Base-Base interactions energy: -551.203 where: short stacking energy: -453.013 Base-Backbone interact. energy: -0.402 local terms energy: -610.282422 where: bonds (distance) C4'-P energy: -141.707 bonds (distance) P-C4' energy: -172.296 flat angles C4'-P-C4' energy: -153.335 flat angles P-C4'-P energy: -82.110 tors. eta vs tors. theta energy: -60.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -950.289579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.289579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.289579 (E_RNA) where: Base-Base interactions energy: -400.038 where: short stacking energy: -336.869 Base-Backbone interact. energy: 1.271 local terms energy: -551.522213 where: bonds (distance) C4'-P energy: -115.665 bonds (distance) P-C4' energy: -164.335 flat angles C4'-P-C4' energy: -162.681 flat angles P-C4'-P energy: -102.701 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -820.645495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.645495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.645495 (E_RNA) where: Base-Base interactions energy: -301.941 where: short stacking energy: -281.957 Base-Backbone interact. energy: 4.452 local terms energy: -523.156063 where: bonds (distance) C4'-P energy: -152.047 bonds (distance) P-C4' energy: -155.606 flat angles C4'-P-C4' energy: -127.301 flat angles P-C4'-P energy: -68.774 tors. eta vs tors. theta energy: -19.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -770.948723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.948723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.948723 (E_RNA) where: Base-Base interactions energy: -345.115 where: short stacking energy: -297.600 Base-Backbone interact. energy: 1.291 local terms energy: -427.124389 where: bonds (distance) C4'-P energy: -127.818 bonds (distance) P-C4' energy: -139.014 flat angles C4'-P-C4' energy: -126.751 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: 31.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2504.921913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.921913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.921913 (E_RNA) where: Base-Base interactions energy: -1553.664 where: short stacking energy: -978.264 Base-Backbone interact. energy: 2.560 local terms energy: -953.817827 where: bonds (distance) C4'-P energy: -177.057 bonds (distance) P-C4' energy: -192.015 flat angles C4'-P-C4' energy: -202.325 flat angles P-C4'-P energy: -127.920 tors. eta vs tors. theta energy: -254.500 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: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2175.422501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.422501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.422501 (E_RNA) where: Base-Base interactions energy: -1298.856 where: short stacking energy: -847.528 Base-Backbone interact. energy: -2.995 local terms energy: -873.571548 where: bonds (distance) C4'-P energy: -170.438 bonds (distance) P-C4' energy: -193.683 flat angles C4'-P-C4' energy: -198.396 flat angles P-C4'-P energy: -118.440 tors. eta vs tors. theta energy: -192.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2036.212789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.212789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.212789 (E_RNA) where: Base-Base interactions energy: -1205.070 where: short stacking energy: -784.592 Base-Backbone interact. energy: -4.332 local terms energy: -826.810191 where: bonds (distance) C4'-P energy: -165.357 bonds (distance) P-C4' energy: -188.248 flat angles C4'-P-C4' energy: -198.063 flat angles P-C4'-P energy: -101.686 tors. eta vs tors. theta energy: -173.456 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: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1830.465304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.465304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.465304 (E_RNA) where: Base-Base interactions energy: -1060.711 where: short stacking energy: -702.680 Base-Backbone interact. energy: -0.812 local terms energy: -768.942031 where: bonds (distance) C4'-P energy: -166.692 bonds (distance) P-C4' energy: -151.585 flat angles C4'-P-C4' energy: -189.403 flat angles P-C4'-P energy: -114.670 tors. eta vs tors. theta energy: -146.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1636.831945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.831945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.831945 (E_RNA) where: Base-Base interactions energy: -940.546 where: short stacking energy: -576.534 Base-Backbone interact. energy: 1.334 local terms energy: -697.619242 where: bonds (distance) C4'-P energy: -144.111 bonds (distance) P-C4' energy: -175.130 flat angles C4'-P-C4' energy: -178.455 flat angles P-C4'-P energy: -89.488 tors. eta vs tors. theta energy: -110.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1310.230705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.230705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.230705 (E_RNA) where: Base-Base interactions energy: -671.430 where: short stacking energy: -474.322 Base-Backbone interact. energy: -1.919 local terms energy: -636.881908 where: bonds (distance) C4'-P energy: -164.033 bonds (distance) P-C4' energy: -172.015 flat angles C4'-P-C4' energy: -153.396 flat angles P-C4'-P energy: -94.878 tors. eta vs tors. theta energy: -52.559 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: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1102.876705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.876705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.876705 (E_RNA) where: Base-Base interactions energy: -511.585 where: short stacking energy: -413.828 Base-Backbone interact. energy: -2.168 local terms energy: -589.123938 where: bonds (distance) C4'-P energy: -152.791 bonds (distance) P-C4' energy: -158.834 flat angles C4'-P-C4' energy: -147.123 flat angles P-C4'-P energy: -101.904 tors. eta vs tors. theta energy: -28.473 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: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -931.336475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.336475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.336475 (E_RNA) where: Base-Base interactions energy: -356.982 where: short stacking energy: -316.588 Base-Backbone interact. energy: 2.972 local terms energy: -577.326470 where: bonds (distance) C4'-P energy: -170.157 bonds (distance) P-C4' energy: -155.979 flat angles C4'-P-C4' energy: -161.196 flat angles P-C4'-P energy: -96.912 tors. eta vs tors. theta energy: 6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -830.576123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.576123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.576123 (E_RNA) where: Base-Base interactions energy: -379.298 where: short stacking energy: -321.002 Base-Backbone interact. energy: 1.323 local terms energy: -452.601365 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -144.912 flat angles C4'-P-C4' energy: -114.359 flat angles P-C4'-P energy: -78.975 tors. eta vs tors. theta energy: 10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -732.222711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.222711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.222711 (E_RNA) where: Base-Base interactions energy: -263.435 where: short stacking energy: -231.535 Base-Backbone interact. energy: 6.491 local terms energy: -475.278133 where: bonds (distance) C4'-P energy: -139.351 bonds (distance) P-C4' energy: -147.725 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -81.045 tors. eta vs tors. theta energy: 17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2513.373604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.373604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.373604 (E_RNA) where: Base-Base interactions energy: -1527.869 where: short stacking energy: -977.442 Base-Backbone interact. energy: -2.487 local terms energy: -983.017930 where: bonds (distance) C4'-P energy: -181.277 bonds (distance) P-C4' energy: -206.195 flat angles C4'-P-C4' energy: -204.080 flat angles P-C4'-P energy: -137.271 tors. eta vs tors. theta energy: -254.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2184.076007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.076007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.076007 (E_RNA) where: Base-Base interactions energy: -1304.696 where: short stacking energy: -892.107 Base-Backbone interact. energy: 0.672 local terms energy: -880.051962 where: bonds (distance) C4'-P energy: -163.818 bonds (distance) P-C4' energy: -173.769 flat angles C4'-P-C4' energy: -199.655 flat angles P-C4'-P energy: -138.050 tors. eta vs tors. theta energy: -204.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2053.008050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.008050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.008050 (E_RNA) where: Base-Base interactions energy: -1228.040 where: short stacking energy: -768.078 Base-Backbone interact. energy: 0.725 local terms energy: -825.693662 where: bonds (distance) C4'-P energy: -169.268 bonds (distance) P-C4' energy: -170.737 flat angles C4'-P-C4' energy: -197.978 flat angles P-C4'-P energy: -104.964 tors. eta vs tors. theta energy: -182.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1844.409355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.409355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.409355 (E_RNA) where: Base-Base interactions energy: -1061.016 where: short stacking energy: -658.066 Base-Backbone interact. energy: -7.396 local terms energy: -775.997969 where: bonds (distance) C4'-P energy: -169.229 bonds (distance) P-C4' energy: -164.317 flat angles C4'-P-C4' energy: -182.848 flat angles P-C4'-P energy: -106.639 tors. eta vs tors. theta energy: -152.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1538.415293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.415293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.415293 (E_RNA) where: Base-Base interactions energy: -898.039 where: short stacking energy: -564.713 Base-Backbone interact. energy: -5.041 local terms energy: -635.335727 where: bonds (distance) C4'-P energy: -152.559 bonds (distance) P-C4' energy: -121.671 flat angles C4'-P-C4' energy: -173.137 flat angles P-C4'-P energy: -85.992 tors. eta vs tors. theta energy: -101.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1269.669088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.669088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.669088 (E_RNA) where: Base-Base interactions energy: -644.091 where: short stacking energy: -468.080 Base-Backbone interact. energy: -3.602 local terms energy: -621.976507 where: bonds (distance) C4'-P energy: -151.461 bonds (distance) P-C4' energy: -169.206 flat angles C4'-P-C4' energy: -147.890 flat angles P-C4'-P energy: -94.468 tors. eta vs tors. theta energy: -58.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1024.013928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.013928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.013928 (E_RNA) where: Base-Base interactions energy: -488.772 where: short stacking energy: -380.399 Base-Backbone interact. energy: 0.656 local terms energy: -535.898396 where: bonds (distance) C4'-P energy: -152.116 bonds (distance) P-C4' energy: -152.516 flat angles C4'-P-C4' energy: -146.059 flat angles P-C4'-P energy: -62.116 tors. eta vs tors. theta energy: -23.091 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: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -945.743108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.743108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.743108 (E_RNA) where: Base-Base interactions energy: -402.516 where: short stacking energy: -364.824 Base-Backbone interact. energy: -0.897 local terms energy: -542.330740 where: bonds (distance) C4'-P energy: -152.453 bonds (distance) P-C4' energy: -148.062 flat angles C4'-P-C4' energy: -140.005 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -9.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -856.136640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.136640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.136640 (E_RNA) where: Base-Base interactions energy: -366.641 where: short stacking energy: -312.362 Base-Backbone interact. energy: 2.992 local terms energy: -492.486671 where: bonds (distance) C4'-P energy: -140.401 bonds (distance) P-C4' energy: -135.703 flat angles C4'-P-C4' energy: -136.430 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: 3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -747.452194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.452194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.452194 (E_RNA) where: Base-Base interactions energy: -283.753 where: short stacking energy: -237.338 Base-Backbone interact. energy: 5.692 local terms energy: -469.391325 where: bonds (distance) C4'-P energy: -158.465 bonds (distance) P-C4' energy: -138.048 flat angles C4'-P-C4' energy: -126.033 flat angles P-C4'-P energy: -62.981 tors. eta vs tors. theta energy: 16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2474.584509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.584509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.584509 (E_RNA) where: Base-Base interactions energy: -1512.465 where: short stacking energy: -969.889 Base-Backbone interact. energy: -1.783 local terms energy: -960.336618 where: bonds (distance) C4'-P energy: -181.701 bonds (distance) P-C4' energy: -190.817 flat angles C4'-P-C4' energy: -211.749 flat angles P-C4'-P energy: -129.107 tors. eta vs tors. theta energy: -246.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2203.603814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.603814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.603814 (E_RNA) where: Base-Base interactions energy: -1341.187 where: short stacking energy: -865.893 Base-Backbone interact. energy: -1.225 local terms energy: -861.192048 where: bonds (distance) C4'-P energy: -156.636 bonds (distance) P-C4' energy: -191.450 flat angles C4'-P-C4' energy: -181.010 flat angles P-C4'-P energy: -135.591 tors. eta vs tors. theta energy: -196.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2092.570965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.570965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.570965 (E_RNA) where: Base-Base interactions energy: -1235.834 where: short stacking energy: -793.029 Base-Backbone interact. energy: -3.023 local terms energy: -853.714918 where: bonds (distance) C4'-P energy: -171.279 bonds (distance) P-C4' energy: -172.753 flat angles C4'-P-C4' energy: -192.403 flat angles P-C4'-P energy: -130.975 tors. eta vs tors. theta energy: -186.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1839.936556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.936556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.936556 (E_RNA) where: Base-Base interactions energy: -1091.769 where: short stacking energy: -713.640 Base-Backbone interact. energy: 3.597 local terms energy: -751.763949 where: bonds (distance) C4'-P energy: -147.652 bonds (distance) P-C4' energy: -160.957 flat angles C4'-P-C4' energy: -194.153 flat angles P-C4'-P energy: -92.222 tors. eta vs tors. theta energy: -156.780 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: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1582.769877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.769877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.769877 (E_RNA) where: Base-Base interactions energy: -907.306 where: short stacking energy: -589.341 Base-Backbone interact. energy: 0.362 local terms energy: -675.825512 where: bonds (distance) C4'-P energy: -159.971 bonds (distance) P-C4' energy: -163.534 flat angles C4'-P-C4' energy: -152.138 flat angles P-C4'-P energy: -107.355 tors. eta vs tors. theta energy: -92.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1310.069022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.069022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.069022 (E_RNA) where: Base-Base interactions energy: -695.341 where: short stacking energy: -485.283 Base-Backbone interact. energy: -3.836 local terms energy: -610.891907 where: bonds (distance) C4'-P energy: -130.787 bonds (distance) P-C4' energy: -175.206 flat angles C4'-P-C4' energy: -157.265 flat angles P-C4'-P energy: -106.121 tors. eta vs tors. theta energy: -41.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1101.226414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.226414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.226414 (E_RNA) where: Base-Base interactions energy: -531.325 where: short stacking energy: -443.495 Base-Backbone interact. energy: -3.392 local terms energy: -566.508880 where: bonds (distance) C4'-P energy: -136.780 bonds (distance) P-C4' energy: -131.235 flat angles C4'-P-C4' energy: -146.734 flat angles P-C4'-P energy: -91.703 tors. eta vs tors. theta energy: -60.058 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: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -912.774133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.774133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.774133 (E_RNA) where: Base-Base interactions energy: -359.099 where: short stacking energy: -324.125 Base-Backbone interact. energy: -0.601 local terms energy: -553.074002 where: bonds (distance) C4'-P energy: -154.195 bonds (distance) P-C4' energy: -156.600 flat angles C4'-P-C4' energy: -149.955 flat angles P-C4'-P energy: -96.025 tors. eta vs tors. theta energy: 3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -827.092250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.092250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.092250 (E_RNA) where: Base-Base interactions energy: -329.098 where: short stacking energy: -286.196 Base-Backbone interact. energy: -3.831 local terms energy: -494.163098 where: bonds (distance) C4'-P energy: -141.453 bonds (distance) P-C4' energy: -162.071 flat angles C4'-P-C4' energy: -150.592 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: 9.165 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: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -788.827596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.827596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.827596 (E_RNA) where: Base-Base interactions energy: -329.750 where: short stacking energy: -280.829 Base-Backbone interact. energy: -1.642 local terms energy: -457.435622 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -126.703 flat angles C4'-P-C4' energy: -133.351 flat angles P-C4'-P energy: -73.032 tors. eta vs tors. theta energy: 1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2461.631153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.631153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.631153 (E_RNA) where: Base-Base interactions energy: -1511.012 where: short stacking energy: -925.453 Base-Backbone interact. energy: -4.053 local terms energy: -946.566440 where: bonds (distance) C4'-P energy: -172.375 bonds (distance) P-C4' energy: -194.658 flat angles C4'-P-C4' energy: -203.027 flat angles P-C4'-P energy: -140.965 tors. eta vs tors. theta energy: -235.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2184.588067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.588067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.588067 (E_RNA) where: Base-Base interactions energy: -1291.343 where: short stacking energy: -815.737 Base-Backbone interact. energy: -4.011 local terms energy: -889.234092 where: bonds (distance) C4'-P energy: -175.787 bonds (distance) P-C4' energy: -183.224 flat angles C4'-P-C4' energy: -195.191 flat angles P-C4'-P energy: -133.805 tors. eta vs tors. theta energy: -201.228 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: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2034.301768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.301768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.301768 (E_RNA) where: Base-Base interactions energy: -1231.568 where: short stacking energy: -806.182 Base-Backbone interact. energy: -0.962 local terms energy: -801.771597 where: bonds (distance) C4'-P energy: -152.354 bonds (distance) P-C4' energy: -178.242 flat angles C4'-P-C4' energy: -177.792 flat angles P-C4'-P energy: -102.233 tors. eta vs tors. theta energy: -191.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1810.330526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.330526 (E_RNA) where: Base-Base interactions energy: -1028.707 where: short stacking energy: -657.104 Base-Backbone interact. energy: 2.636 local terms energy: -784.259448 where: bonds (distance) C4'-P energy: -154.871 bonds (distance) P-C4' energy: -181.622 flat angles C4'-P-C4' energy: -185.140 flat angles P-C4'-P energy: -131.017 tors. eta vs tors. theta energy: -131.609 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: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1623.779318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.779318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.779318 (E_RNA) where: Base-Base interactions energy: -921.787 where: short stacking energy: -580.815 Base-Backbone interact. energy: -4.191 local terms energy: -697.800780 where: bonds (distance) C4'-P energy: -136.945 bonds (distance) P-C4' energy: -179.369 flat angles C4'-P-C4' energy: -151.091 flat angles P-C4'-P energy: -118.531 tors. eta vs tors. theta energy: -111.864 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: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1342.248390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.248390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.248390 (E_RNA) where: Base-Base interactions energy: -702.441 where: short stacking energy: -522.162 Base-Backbone interact. energy: -4.971 local terms energy: -634.837199 where: bonds (distance) C4'-P energy: -162.398 bonds (distance) P-C4' energy: -162.264 flat angles C4'-P-C4' energy: -155.890 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: -62.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1124.837409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.837409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.837409 (E_RNA) where: Base-Base interactions energy: -529.508 where: short stacking energy: -387.254 Base-Backbone interact. energy: 1.394 local terms energy: -596.723179 where: bonds (distance) C4'-P energy: -148.670 bonds (distance) P-C4' energy: -165.383 flat angles C4'-P-C4' energy: -171.325 flat angles P-C4'-P energy: -84.748 tors. eta vs tors. theta energy: -26.597 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: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -971.940484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.940484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.940484 (E_RNA) where: Base-Base interactions energy: -471.756 where: short stacking energy: -377.874 Base-Backbone interact. energy: 3.838 local terms energy: -504.022222 where: bonds (distance) C4'-P energy: -119.911 bonds (distance) P-C4' energy: -148.397 flat angles C4'-P-C4' energy: -139.297 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -17.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -852.560333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.560333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.560333 (E_RNA) where: Base-Base interactions energy: -355.768 where: short stacking energy: -317.948 Base-Backbone interact. energy: 6.498 local terms energy: -503.289567 where: bonds (distance) C4'-P energy: -133.211 bonds (distance) P-C4' energy: -161.289 flat angles C4'-P-C4' energy: -133.649 flat angles P-C4'-P energy: -74.952 tors. eta vs tors. theta energy: -0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -812.173891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.173891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.173891 (E_RNA) where: Base-Base interactions energy: -282.148 where: short stacking energy: -255.273 Base-Backbone interact. energy: 0.432 local terms energy: -530.457593 where: bonds (distance) C4'-P energy: -147.962 bonds (distance) P-C4' energy: -155.337 flat angles C4'-P-C4' energy: -137.583 flat angles P-C4'-P energy: -78.748 tors. eta vs tors. theta energy: -10.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2454.618167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.618167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.618167 (E_RNA) where: Base-Base interactions energy: -1493.708 where: short stacking energy: -906.138 Base-Backbone interact. energy: -7.582 local terms energy: -953.328192 where: bonds (distance) C4'-P energy: -177.233 bonds (distance) P-C4' energy: -183.382 flat angles C4'-P-C4' energy: -201.947 flat angles P-C4'-P energy: -156.697 tors. eta vs tors. theta energy: -234.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2166.708533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.708533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.708533 (E_RNA) where: Base-Base interactions energy: -1291.819 where: short stacking energy: -821.517 Base-Backbone interact. energy: -3.487 local terms energy: -871.403208 where: bonds (distance) C4'-P energy: -177.418 bonds (distance) P-C4' energy: -178.284 flat angles C4'-P-C4' energy: -175.313 flat angles P-C4'-P energy: -138.710 tors. eta vs tors. theta energy: -201.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2055.543626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.543626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.543626 (E_RNA) where: Base-Base interactions energy: -1213.625 where: short stacking energy: -776.976 Base-Backbone interact. energy: -4.243 local terms energy: -837.675414 where: bonds (distance) C4'-P energy: -171.787 bonds (distance) P-C4' energy: -170.417 flat angles C4'-P-C4' energy: -202.757 flat angles P-C4'-P energy: -116.088 tors. eta vs tors. theta energy: -176.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1832.543145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.543145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.543145 (E_RNA) where: Base-Base interactions energy: -1085.118 where: short stacking energy: -696.124 Base-Backbone interact. energy: 3.665 local terms energy: -751.090051 where: bonds (distance) C4'-P energy: -155.857 bonds (distance) P-C4' energy: -161.717 flat angles C4'-P-C4' energy: -175.665 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -142.550 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: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1654.412334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.412334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.412334 (E_RNA) where: Base-Base interactions energy: -985.487 where: short stacking energy: -612.278 Base-Backbone interact. energy: -0.569 local terms energy: -668.355732 where: bonds (distance) C4'-P energy: -133.974 bonds (distance) P-C4' energy: -170.496 flat angles C4'-P-C4' energy: -170.712 flat angles P-C4'-P energy: -86.874 tors. eta vs tors. theta energy: -106.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1295.224404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.224404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.224404 (E_RNA) where: Base-Base interactions energy: -662.418 where: short stacking energy: -469.490 Base-Backbone interact. energy: -6.708 local terms energy: -626.098193 where: bonds (distance) C4'-P energy: -147.259 bonds (distance) P-C4' energy: -169.446 flat angles C4'-P-C4' energy: -149.398 flat angles P-C4'-P energy: -108.276 tors. eta vs tors. theta energy: -51.719 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: 100 Temperature: 1.200000 Total energy: -1118.582521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.582521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.582521 (E_RNA) where: Base-Base interactions energy: -557.956 where: short stacking energy: -423.106 Base-Backbone interact. energy: 1.467 local terms energy: -562.093394 where: bonds (distance) C4'-P energy: -132.504 bonds (distance) P-C4' energy: -160.318 flat angles C4'-P-C4' energy: -140.025 flat angles P-C4'-P energy: -91.486 tors. eta vs tors. theta energy: -37.760 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: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -956.005750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.005750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.005750 (E_RNA) where: Base-Base interactions energy: -437.012 where: short stacking energy: -371.643 Base-Backbone interact. energy: -2.306 local terms energy: -516.687778 where: bonds (distance) C4'-P energy: -138.479 bonds (distance) P-C4' energy: -153.917 flat angles C4'-P-C4' energy: -131.868 flat angles P-C4'-P energy: -74.290 tors. eta vs tors. theta energy: -18.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -808.394767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.394767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.394767 (E_RNA) where: Base-Base interactions energy: -345.897 where: short stacking energy: -306.757 Base-Backbone interact. energy: -3.027 local terms energy: -459.470546 where: bonds (distance) C4'-P energy: -140.649 bonds (distance) P-C4' energy: -147.824 flat angles C4'-P-C4' energy: -118.970 flat angles P-C4'-P energy: -67.133 tors. eta vs tors. theta energy: 15.107 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: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -787.276100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.276100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.276100 (E_RNA) where: Base-Base interactions energy: -326.915 where: short stacking energy: -280.976 Base-Backbone interact. energy: -1.545 local terms energy: -458.816095 where: bonds (distance) C4'-P energy: -130.026 bonds (distance) P-C4' energy: -141.154 flat angles C4'-P-C4' energy: -124.984 flat angles P-C4'-P energy: -81.626 tors. eta vs tors. theta energy: 18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2446.836400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.836400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.836400 (E_RNA) where: Base-Base interactions energy: -1489.541 where: short stacking energy: -946.289 Base-Backbone interact. energy: -3.367 local terms energy: -953.927932 where: bonds (distance) C4'-P energy: -175.386 bonds (distance) P-C4' energy: -192.108 flat angles C4'-P-C4' energy: -211.945 flat angles P-C4'-P energy: -132.408 tors. eta vs tors. theta energy: -242.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2179.366823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.366823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.366823 (E_RNA) where: Base-Base interactions energy: -1318.011 where: short stacking energy: -874.055 Base-Backbone interact. energy: 0.852 local terms energy: -862.208037 where: bonds (distance) C4'-P energy: -156.141 bonds (distance) P-C4' energy: -175.064 flat angles C4'-P-C4' energy: -190.105 flat angles P-C4'-P energy: -123.525 tors. eta vs tors. theta energy: -217.373 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: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2074.586951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.586951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.586951 (E_RNA) where: Base-Base interactions energy: -1232.503 where: short stacking energy: -757.688 Base-Backbone interact. energy: 3.224 local terms energy: -845.308033 where: bonds (distance) C4'-P energy: -177.479 bonds (distance) P-C4' energy: -169.984 flat angles C4'-P-C4' energy: -201.935 flat angles P-C4'-P energy: -127.647 tors. eta vs tors. theta energy: -168.264 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1836.180777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.180777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.180777 (E_RNA) where: Base-Base interactions energy: -1052.960 where: short stacking energy: -701.828 Base-Backbone interact. energy: 0.030 local terms energy: -783.250647 where: bonds (distance) C4'-P energy: -154.085 bonds (distance) P-C4' energy: -182.273 flat angles C4'-P-C4' energy: -181.797 flat angles P-C4'-P energy: -111.299 tors. eta vs tors. theta energy: -153.797 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: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1673.132116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.132116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.132116 (E_RNA) where: Base-Base interactions energy: -974.654 where: short stacking energy: -595.631 Base-Backbone interact. energy: -3.107 local terms energy: -695.371685 where: bonds (distance) C4'-P energy: -158.756 bonds (distance) P-C4' energy: -153.474 flat angles C4'-P-C4' energy: -168.978 flat angles P-C4'-P energy: -105.089 tors. eta vs tors. theta energy: -109.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1336.573794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.573794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.573794 (E_RNA) where: Base-Base interactions energy: -712.702 where: short stacking energy: -493.614 Base-Backbone interact. energy: 5.492 local terms energy: -629.364096 where: bonds (distance) C4'-P energy: -152.837 bonds (distance) P-C4' energy: -159.181 flat angles C4'-P-C4' energy: -151.423 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -66.383 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: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1178.667719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.667719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.667719 (E_RNA) where: Base-Base interactions energy: -610.147 where: short stacking energy: -462.803 Base-Backbone interact. energy: 6.526 local terms energy: -575.046056 where: bonds (distance) C4'-P energy: -147.024 bonds (distance) P-C4' energy: -139.292 flat angles C4'-P-C4' energy: -154.015 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -40.994 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: 101 Temperature: 1.250000 Total energy: -959.792990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.792990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.792990 (E_RNA) where: Base-Base interactions energy: -422.582 where: short stacking energy: -368.378 Base-Backbone interact. energy: 1.157 local terms energy: -538.367903 where: bonds (distance) C4'-P energy: -131.898 bonds (distance) P-C4' energy: -152.167 flat angles C4'-P-C4' energy: -156.094 flat angles P-C4'-P energy: -75.707 tors. eta vs tors. theta energy: -22.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -814.209986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.209986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.209986 (E_RNA) where: Base-Base interactions energy: -323.728 where: short stacking energy: -276.185 Base-Backbone interact. energy: 5.311 local terms energy: -495.793632 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -144.573 flat angles P-C4'-P energy: -88.924 tors. eta vs tors. theta energy: 12.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -769.318367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.318367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.318367 (E_RNA) where: Base-Base interactions energy: -319.903 where: short stacking energy: -238.170 Base-Backbone interact. energy: 1.453 local terms energy: -450.868034 where: bonds (distance) C4'-P energy: -126.587 bonds (distance) P-C4' energy: -157.788 flat angles C4'-P-C4' energy: -130.888 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: 29.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2477.564638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.564638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.564638 (E_RNA) where: Base-Base interactions energy: -1544.214 where: short stacking energy: -951.962 Base-Backbone interact. energy: -5.599 local terms energy: -927.751080 where: bonds (distance) C4'-P energy: -179.320 bonds (distance) P-C4' energy: -175.852 flat angles C4'-P-C4' energy: -200.795 flat angles P-C4'-P energy: -139.104 tors. eta vs tors. theta energy: -232.680 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: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2202.503671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.503671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.503671 (E_RNA) where: Base-Base interactions energy: -1307.090 where: short stacking energy: -877.948 Base-Backbone interact. energy: 0.388 local terms energy: -895.801616 where: bonds (distance) C4'-P energy: -175.150 bonds (distance) P-C4' energy: -171.153 flat angles C4'-P-C4' energy: -206.249 flat angles P-C4'-P energy: -129.296 tors. eta vs tors. theta energy: -213.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2106.909269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.909269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.909269 (E_RNA) where: Base-Base interactions energy: -1274.955 where: short stacking energy: -823.100 Base-Backbone interact. energy: -4.217 local terms energy: -827.736778 where: bonds (distance) C4'-P energy: -179.165 bonds (distance) P-C4' energy: -156.690 flat angles C4'-P-C4' energy: -177.486 flat angles P-C4'-P energy: -136.331 tors. eta vs tors. theta energy: -178.065 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: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1842.775778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.775778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.775778 (E_RNA) where: Base-Base interactions energy: -1037.918 where: short stacking energy: -687.082 Base-Backbone interact. energy: 1.025 local terms energy: -805.882458 where: bonds (distance) C4'-P energy: -185.171 bonds (distance) P-C4' energy: -159.163 flat angles C4'-P-C4' energy: -186.399 flat angles P-C4'-P energy: -107.200 tors. eta vs tors. theta energy: -167.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1649.114900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.114900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.114900 (E_RNA) where: Base-Base interactions energy: -955.168 where: short stacking energy: -630.190 Base-Backbone interact. energy: 0.720 local terms energy: -694.667074 where: bonds (distance) C4'-P energy: -169.106 bonds (distance) P-C4' energy: -161.250 flat angles C4'-P-C4' energy: -164.011 flat angles P-C4'-P energy: -90.640 tors. eta vs tors. theta energy: -109.660 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: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1363.344199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.344199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.344199 (E_RNA) where: Base-Base interactions energy: -701.486 where: short stacking energy: -495.885 Base-Backbone interact. energy: -2.512 local terms energy: -659.346301 where: bonds (distance) C4'-P energy: -168.528 bonds (distance) P-C4' energy: -160.891 flat angles C4'-P-C4' energy: -145.214 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -78.753 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: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1181.852194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.852194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.852194 (E_RNA) where: Base-Base interactions energy: -614.698 where: short stacking energy: -453.722 Base-Backbone interact. energy: -0.192 local terms energy: -566.962612 where: bonds (distance) C4'-P energy: -142.891 bonds (distance) P-C4' energy: -142.482 flat angles C4'-P-C4' energy: -155.193 flat angles P-C4'-P energy: -84.556 tors. eta vs tors. theta energy: -41.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -979.297952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.297952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.297952 (E_RNA) where: Base-Base interactions energy: -463.981 where: short stacking energy: -374.566 Base-Backbone interact. energy: 3.404 local terms energy: -518.720493 where: bonds (distance) C4'-P energy: -141.126 bonds (distance) P-C4' energy: -144.548 flat angles C4'-P-C4' energy: -124.066 flat angles P-C4'-P energy: -93.779 tors. eta vs tors. theta energy: -15.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -842.901458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.901458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.901458 (E_RNA) where: Base-Base interactions energy: -341.291 where: short stacking energy: -306.127 Base-Backbone interact. energy: 3.901 local terms energy: -505.511851 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -142.480 flat angles C4'-P-C4' energy: -121.188 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -7.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -794.181219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.181219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.181219 (E_RNA) where: Base-Base interactions energy: -322.633 where: short stacking energy: -302.373 Base-Backbone interact. energy: -2.338 local terms energy: -469.209895 where: bonds (distance) C4'-P energy: -145.280 bonds (distance) P-C4' energy: -143.595 flat angles C4'-P-C4' energy: -138.805 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: 29.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2537.530319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.530319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.530319 (E_RNA) where: Base-Base interactions energy: -1600.918 where: short stacking energy: -1010.761 Base-Backbone interact. energy: -4.210 local terms energy: -932.402135 where: bonds (distance) C4'-P energy: -172.522 bonds (distance) P-C4' energy: -178.735 flat angles C4'-P-C4' energy: -203.177 flat angles P-C4'-P energy: -131.671 tors. eta vs tors. theta energy: -246.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2155.869180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.869180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.869180 (E_RNA) where: Base-Base interactions energy: -1284.684 where: short stacking energy: -851.314 Base-Backbone interact. energy: 0.836 local terms energy: -872.021067 where: bonds (distance) C4'-P energy: -185.693 bonds (distance) P-C4' energy: -175.596 flat angles C4'-P-C4' energy: -196.549 flat angles P-C4'-P energy: -114.521 tors. eta vs tors. theta energy: -199.661 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: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2098.210311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.210311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.210311 (E_RNA) where: Base-Base interactions energy: -1263.635 where: short stacking energy: -772.437 Base-Backbone interact. energy: 1.454 local terms energy: -836.029660 where: bonds (distance) C4'-P energy: -169.080 bonds (distance) P-C4' energy: -189.057 flat angles C4'-P-C4' energy: -178.274 flat angles P-C4'-P energy: -128.492 tors. eta vs tors. theta energy: -171.127 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: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1789.922678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.922678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.922678 (E_RNA) where: Base-Base interactions energy: -1041.496 where: short stacking energy: -710.863 Base-Backbone interact. energy: -3.500 local terms energy: -744.926368 where: bonds (distance) C4'-P energy: -159.251 bonds (distance) P-C4' energy: -166.239 flat angles C4'-P-C4' energy: -167.965 flat angles P-C4'-P energy: -110.991 tors. eta vs tors. theta energy: -140.480 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: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1676.253201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.253201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.253201 (E_RNA) where: Base-Base interactions energy: -995.317 where: short stacking energy: -615.611 Base-Backbone interact. energy: -1.036 local terms energy: -679.900146 where: bonds (distance) C4'-P energy: -160.539 bonds (distance) P-C4' energy: -138.462 flat angles C4'-P-C4' energy: -159.788 flat angles P-C4'-P energy: -106.776 tors. eta vs tors. theta energy: -114.335 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: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1305.627385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.627385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.627385 (E_RNA) where: Base-Base interactions energy: -674.410 where: short stacking energy: -483.103 Base-Backbone interact. energy: 0.490 local terms energy: -631.707489 where: bonds (distance) C4'-P energy: -154.414 bonds (distance) P-C4' energy: -173.828 flat angles C4'-P-C4' energy: -152.439 flat angles P-C4'-P energy: -93.651 tors. eta vs tors. theta energy: -57.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1117.293691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.293691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.293691 (E_RNA) where: Base-Base interactions energy: -562.597 where: short stacking energy: -417.669 Base-Backbone interact. energy: 3.899 local terms energy: -558.595827 where: bonds (distance) C4'-P energy: -144.162 bonds (distance) P-C4' energy: -165.194 flat angles C4'-P-C4' energy: -141.649 flat angles P-C4'-P energy: -68.520 tors. eta vs tors. theta energy: -39.071 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: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1066.506879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.506879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.506879 (E_RNA) where: Base-Base interactions energy: -532.687 where: short stacking energy: -389.306 Base-Backbone interact. energy: 1.025 local terms energy: -534.844421 where: bonds (distance) C4'-P energy: -145.867 bonds (distance) P-C4' energy: -158.120 flat angles C4'-P-C4' energy: -134.284 flat angles P-C4'-P energy: -75.374 tors. eta vs tors. theta energy: -21.200 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: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -830.308680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.308680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.308680 (E_RNA) where: Base-Base interactions energy: -327.714 where: short stacking energy: -303.331 Base-Backbone interact. energy: -0.310 local terms energy: -502.285339 where: bonds (distance) C4'-P energy: -139.456 bonds (distance) P-C4' energy: -164.079 flat angles C4'-P-C4' energy: -134.079 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: 2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -816.964640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.964640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.964640 (E_RNA) where: Base-Base interactions energy: -353.987 where: short stacking energy: -325.092 Base-Backbone interact. energy: 1.096 local terms energy: -464.073455 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -143.323 flat angles C4'-P-C4' energy: -98.192 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2494.517572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.517572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.517572 (E_RNA) where: Base-Base interactions energy: -1549.200 where: short stacking energy: -934.789 Base-Backbone interact. energy: -7.916 local terms energy: -937.400810 where: bonds (distance) C4'-P energy: -169.027 bonds (distance) P-C4' energy: -186.491 flat angles C4'-P-C4' energy: -209.449 flat angles P-C4'-P energy: -135.478 tors. eta vs tors. theta energy: -236.956 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: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2116.876950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.876950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.876950 (E_RNA) where: Base-Base interactions energy: -1273.255 where: short stacking energy: -821.695 Base-Backbone interact. energy: -3.314 local terms energy: -840.308377 where: bonds (distance) C4'-P energy: -163.109 bonds (distance) P-C4' energy: -179.978 flat angles C4'-P-C4' energy: -186.514 flat angles P-C4'-P energy: -124.927 tors. eta vs tors. theta energy: -185.781 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: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2072.506115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.506115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.506115 (E_RNA) where: Base-Base interactions energy: -1257.103 where: short stacking energy: -777.364 Base-Backbone interact. energy: 3.142 local terms energy: -818.544328 where: bonds (distance) C4'-P energy: -160.666 bonds (distance) P-C4' energy: -185.478 flat angles C4'-P-C4' energy: -195.229 flat angles P-C4'-P energy: -106.909 tors. eta vs tors. theta energy: -170.264 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1805.945248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.945248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.945248 (E_RNA) where: Base-Base interactions energy: -1030.321 where: short stacking energy: -690.084 Base-Backbone interact. energy: -4.578 local terms energy: -771.046422 where: bonds (distance) C4'-P energy: -178.605 bonds (distance) P-C4' energy: -162.240 flat angles C4'-P-C4' energy: -167.231 flat angles P-C4'-P energy: -99.123 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: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1667.368463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.368463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.368463 (E_RNA) where: Base-Base interactions energy: -959.935 where: short stacking energy: -599.705 Base-Backbone interact. energy: -4.024 local terms energy: -703.409540 where: bonds (distance) C4'-P energy: -167.761 bonds (distance) P-C4' energy: -170.019 flat angles C4'-P-C4' energy: -183.527 flat angles P-C4'-P energy: -93.513 tors. eta vs tors. theta energy: -88.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1346.895364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.895364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.895364 (E_RNA) where: Base-Base interactions energy: -696.625 where: short stacking energy: -533.693 Base-Backbone interact. energy: 2.383 local terms energy: -652.653706 where: bonds (distance) C4'-P energy: -159.611 bonds (distance) P-C4' energy: -167.036 flat angles C4'-P-C4' energy: -160.587 flat angles P-C4'-P energy: -91.538 tors. eta vs tors. theta energy: -73.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1118.318789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.318789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.318789 (E_RNA) where: Base-Base interactions energy: -531.929 where: short stacking energy: -406.366 Base-Backbone interact. energy: -1.032 local terms energy: -585.357943 where: bonds (distance) C4'-P energy: -152.797 bonds (distance) P-C4' energy: -159.834 flat angles C4'-P-C4' energy: -145.544 flat angles P-C4'-P energy: -88.273 tors. eta vs tors. theta energy: -38.910 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: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1040.858614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.858614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.858614 (E_RNA) where: Base-Base interactions energy: -475.147 where: short stacking energy: -365.363 Base-Backbone interact. energy: -0.598 local terms energy: -565.113966 where: bonds (distance) C4'-P energy: -154.196 bonds (distance) P-C4' energy: -166.925 flat angles C4'-P-C4' energy: -130.397 flat angles P-C4'-P energy: -95.261 tors. eta vs tors. theta energy: -18.335 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: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -828.517431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.517431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.517431 (E_RNA) where: Base-Base interactions energy: -365.244 where: short stacking energy: -312.453 Base-Backbone interact. energy: 17.138 local terms energy: -480.411871 where: bonds (distance) C4'-P energy: -131.177 bonds (distance) P-C4' energy: -147.800 flat angles C4'-P-C4' energy: -122.407 flat angles P-C4'-P energy: -79.292 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -745.768129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.768129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.768129 (E_RNA) where: Base-Base interactions energy: -282.961 where: short stacking energy: -256.826 Base-Backbone interact. energy: 3.836 local terms energy: -466.642623 where: bonds (distance) C4'-P energy: -136.902 bonds (distance) P-C4' energy: -136.496 flat angles C4'-P-C4' energy: -123.944 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: 4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2512.628371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.628371 (E_RNA) where: Base-Base interactions energy: -1588.713 where: short stacking energy: -944.560 Base-Backbone interact. energy: 1.391 local terms energy: -925.306677 where: bonds (distance) C4'-P energy: -171.446 bonds (distance) P-C4' energy: -189.355 flat angles C4'-P-C4' energy: -203.052 flat angles P-C4'-P energy: -128.847 tors. eta vs tors. theta energy: -232.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2155.767348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.767348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.767348 (E_RNA) where: Base-Base interactions energy: -1305.946 where: short stacking energy: -853.570 Base-Backbone interact. energy: -2.990 local terms energy: -846.831362 where: bonds (distance) C4'-P energy: -167.883 bonds (distance) P-C4' energy: -177.632 flat angles C4'-P-C4' energy: -188.947 flat angles P-C4'-P energy: -124.137 tors. eta vs tors. theta energy: -188.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2039.099398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.099398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.099398 (E_RNA) where: Base-Base interactions energy: -1230.666 where: short stacking energy: -776.751 Base-Backbone interact. energy: 0.201 local terms energy: -808.634547 where: bonds (distance) C4'-P energy: -162.877 bonds (distance) P-C4' energy: -178.239 flat angles C4'-P-C4' energy: -176.501 flat angles P-C4'-P energy: -122.413 tors. eta vs tors. theta energy: -168.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1749.464538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.464538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.464538 (E_RNA) where: Base-Base interactions energy: -977.504 where: short stacking energy: -640.460 Base-Backbone interact. energy: -1.925 local terms energy: -770.035262 where: bonds (distance) C4'-P energy: -166.302 bonds (distance) P-C4' energy: -182.306 flat angles C4'-P-C4' energy: -173.459 flat angles P-C4'-P energy: -120.259 tors. eta vs tors. theta energy: -127.709 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: 105 Temperature: 1.100000 Total energy: -1607.384993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.384993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.384993 (E_RNA) where: Base-Base interactions energy: -902.856 where: short stacking energy: -580.558 Base-Backbone interact. energy: -4.198 local terms energy: -700.331213 where: bonds (distance) C4'-P energy: -166.163 bonds (distance) P-C4' energy: -161.571 flat angles C4'-P-C4' energy: -177.743 flat angles P-C4'-P energy: -94.883 tors. eta vs tors. theta energy: -99.971 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: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1392.981447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.981447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.981447 (E_RNA) where: Base-Base interactions energy: -734.562 where: short stacking energy: -512.652 Base-Backbone interact. energy: 0.830 local terms energy: -659.250316 where: bonds (distance) C4'-P energy: -137.133 bonds (distance) P-C4' energy: -167.692 flat angles C4'-P-C4' energy: -176.664 flat angles P-C4'-P energy: -108.801 tors. eta vs tors. theta energy: -68.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1083.813356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.813356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.813356 (E_RNA) where: Base-Base interactions energy: -519.674 where: short stacking energy: -413.211 Base-Backbone interact. energy: -0.370 local terms energy: -563.769741 where: bonds (distance) C4'-P energy: -155.163 bonds (distance) P-C4' energy: -155.160 flat angles C4'-P-C4' energy: -165.833 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -8.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -991.441040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.441040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.441040 (E_RNA) where: Base-Base interactions energy: -442.957 where: short stacking energy: -333.338 Base-Backbone interact. energy: 8.226 local terms energy: -556.709923 where: bonds (distance) C4'-P energy: -161.180 bonds (distance) P-C4' energy: -164.813 flat angles C4'-P-C4' energy: -130.065 flat angles P-C4'-P energy: -92.264 tors. eta vs tors. theta energy: -8.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -838.727335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.727335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.727335 (E_RNA) where: Base-Base interactions energy: -347.633 where: short stacking energy: -310.083 Base-Backbone interact. energy: 1.112 local terms energy: -492.206298 where: bonds (distance) C4'-P energy: -169.737 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -111.420 flat angles P-C4'-P energy: -66.922 tors. eta vs tors. theta energy: 9.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -773.325014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.325014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.325014 (E_RNA) where: Base-Base interactions energy: -291.295 where: short stacking energy: -265.701 Base-Backbone interact. energy: 8.075 local terms energy: -490.105285 where: bonds (distance) C4'-P energy: -129.045 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -154.623 flat angles P-C4'-P energy: -70.082 tors. eta vs tors. theta energy: 19.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2530.789614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.789614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.789614 (E_RNA) where: Base-Base interactions energy: -1614.014 where: short stacking energy: -967.282 Base-Backbone interact. energy: -3.905 local terms energy: -912.871192 where: bonds (distance) C4'-P energy: -166.255 bonds (distance) P-C4' energy: -186.842 flat angles C4'-P-C4' energy: -194.686 flat angles P-C4'-P energy: -121.455 tors. eta vs tors. theta energy: -243.634 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: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2181.194009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.194009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.194009 (E_RNA) where: Base-Base interactions energy: -1290.537 where: short stacking energy: -858.740 Base-Backbone interact. energy: 1.137 local terms energy: -891.793898 where: bonds (distance) C4'-P energy: -171.674 bonds (distance) P-C4' energy: -179.400 flat angles C4'-P-C4' energy: -195.967 flat angles P-C4'-P energy: -135.718 tors. eta vs tors. theta energy: -209.035 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: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2062.354136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.354136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.354136 (E_RNA) where: Base-Base interactions energy: -1243.496 where: short stacking energy: -798.764 Base-Backbone interact. energy: 0.409 local terms energy: -819.266965 where: bonds (distance) C4'-P energy: -176.155 bonds (distance) P-C4' energy: -159.272 flat angles C4'-P-C4' energy: -181.674 flat angles P-C4'-P energy: -119.795 tors. eta vs tors. theta energy: -182.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1787.072477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.072477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.072477 (E_RNA) where: Base-Base interactions energy: -1021.367 where: short stacking energy: -669.213 Base-Backbone interact. energy: -3.496 local terms energy: -762.210083 where: bonds (distance) C4'-P energy: -154.468 bonds (distance) P-C4' energy: -153.020 flat angles C4'-P-C4' energy: -184.220 flat angles P-C4'-P energy: -128.684 tors. eta vs tors. theta energy: -141.818 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: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1633.899920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.899920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.899920 (E_RNA) where: Base-Base interactions energy: -891.775 where: short stacking energy: -574.733 Base-Backbone interact. energy: 0.575 local terms energy: -742.699859 where: bonds (distance) C4'-P energy: -150.741 bonds (distance) P-C4' energy: -191.968 flat angles C4'-P-C4' energy: -192.736 flat angles P-C4'-P energy: -90.682 tors. eta vs tors. theta energy: -116.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1447.122883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.122883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.122883 (E_RNA) where: Base-Base interactions energy: -794.366 where: short stacking energy: -538.658 Base-Backbone interact. energy: 2.677 local terms energy: -655.434233 where: bonds (distance) C4'-P energy: -153.255 bonds (distance) P-C4' energy: -169.196 flat angles C4'-P-C4' energy: -160.531 flat angles P-C4'-P energy: -93.699 tors. eta vs tors. theta energy: -78.753 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: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1172.897172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.897172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.897172 (E_RNA) where: Base-Base interactions energy: -554.351 where: short stacking energy: -414.074 Base-Backbone interact. energy: -1.931 local terms energy: -616.616047 where: bonds (distance) C4'-P energy: -169.469 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -162.014 flat angles P-C4'-P energy: -86.227 tors. eta vs tors. theta energy: -43.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1049.174011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.174011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.174011 (E_RNA) where: Base-Base interactions energy: -492.611 where: short stacking energy: -343.844 Base-Backbone interact. energy: 5.101 local terms energy: -561.664165 where: bonds (distance) C4'-P energy: -155.563 bonds (distance) P-C4' energy: -161.077 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -93.842 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -900.557756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.557756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.557756 (E_RNA) where: Base-Base interactions energy: -375.529 where: short stacking energy: -317.589 Base-Backbone interact. energy: 2.686 local terms energy: -527.714463 where: bonds (distance) C4'-P energy: -156.793 bonds (distance) P-C4' energy: -171.028 flat angles C4'-P-C4' energy: -131.266 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -5.321 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: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -763.175371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.175371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.175371 (E_RNA) where: Base-Base interactions energy: -310.646 where: short stacking energy: -284.166 Base-Backbone interact. energy: 6.893 local terms energy: -459.422011 where: bonds (distance) C4'-P energy: -134.313 bonds (distance) P-C4' energy: -135.063 flat angles C4'-P-C4' energy: -121.000 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: 17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2566.410042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.410042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.410042 (E_RNA) where: Base-Base interactions energy: -1602.297 where: short stacking energy: -936.314 Base-Backbone interact. energy: -5.591 local terms energy: -958.521713 where: bonds (distance) C4'-P energy: -181.771 bonds (distance) P-C4' energy: -190.588 flat angles C4'-P-C4' energy: -212.692 flat angles P-C4'-P energy: -143.346 tors. eta vs tors. theta energy: -230.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2197.003870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.003870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.003870 (E_RNA) where: Base-Base interactions energy: -1297.372 where: short stacking energy: -811.080 Base-Backbone interact. energy: -1.420 local terms energy: -898.212035 where: bonds (distance) C4'-P energy: -182.815 bonds (distance) P-C4' energy: -192.688 flat angles C4'-P-C4' energy: -204.486 flat angles P-C4'-P energy: -129.308 tors. eta vs tors. theta energy: -188.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2071.004235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.004235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.004235 (E_RNA) where: Base-Base interactions energy: -1228.072 where: short stacking energy: -803.257 Base-Backbone interact. energy: -3.430 local terms energy: -839.502884 where: bonds (distance) C4'-P energy: -168.076 bonds (distance) P-C4' energy: -175.461 flat angles C4'-P-C4' energy: -189.617 flat angles P-C4'-P energy: -101.252 tors. eta vs tors. theta energy: -205.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1752.841824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.841824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.841824 (E_RNA) where: Base-Base interactions energy: -998.424 where: short stacking energy: -661.921 Base-Backbone interact. energy: -2.699 local terms energy: -751.718176 where: bonds (distance) C4'-P energy: -161.374 bonds (distance) P-C4' energy: -169.590 flat angles C4'-P-C4' energy: -186.027 flat angles P-C4'-P energy: -117.499 tors. eta vs tors. theta energy: -117.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1653.826540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.826540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.826540 (E_RNA) where: Base-Base interactions energy: -974.898 where: short stacking energy: -615.173 Base-Backbone interact. energy: 1.773 local terms energy: -680.700891 where: bonds (distance) C4'-P energy: -148.120 bonds (distance) P-C4' energy: -154.163 flat angles C4'-P-C4' energy: -161.644 flat angles P-C4'-P energy: -99.717 tors. eta vs tors. theta energy: -117.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1434.753956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.753956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.753956 (E_RNA) where: Base-Base interactions energy: -814.058 where: short stacking energy: -497.938 Base-Backbone interact. energy: -1.431 local terms energy: -619.265187 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -156.615 flat angles C4'-P-C4' energy: -151.903 flat angles P-C4'-P energy: -94.004 tors. eta vs tors. theta energy: -67.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1175.689166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.689166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.689166 (E_RNA) where: Base-Base interactions energy: -580.071 where: short stacking energy: -427.783 Base-Backbone interact. energy: 0.936 local terms energy: -596.553532 where: bonds (distance) C4'-P energy: -156.644 bonds (distance) P-C4' energy: -173.417 flat angles C4'-P-C4' energy: -144.733 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -33.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -944.133665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.133665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.133665 (E_RNA) where: Base-Base interactions energy: -436.852 where: short stacking energy: -321.282 Base-Backbone interact. energy: 4.359 local terms energy: -511.640475 where: bonds (distance) C4'-P energy: -135.090 bonds (distance) P-C4' energy: -147.683 flat angles C4'-P-C4' energy: -138.918 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -838.584886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.584886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.584886 (E_RNA) where: Base-Base interactions energy: -368.006 where: short stacking energy: -298.826 Base-Backbone interact. energy: 8.166 local terms energy: -478.744459 where: bonds (distance) C4'-P energy: -145.152 bonds (distance) P-C4' energy: -137.640 flat angles C4'-P-C4' energy: -120.082 flat angles P-C4'-P energy: -91.623 tors. eta vs tors. theta energy: 15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -747.260656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.260656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.260656 (E_RNA) where: Base-Base interactions energy: -288.079 where: short stacking energy: -270.676 Base-Backbone interact. energy: 1.364 local terms energy: -460.546333 where: bonds (distance) C4'-P energy: -139.086 bonds (distance) P-C4' energy: -149.079 flat angles C4'-P-C4' energy: -113.624 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: 4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2510.676392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.676392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.676392 (E_RNA) where: Base-Base interactions energy: -1546.357 where: short stacking energy: -950.051 Base-Backbone interact. energy: -4.224 local terms energy: -960.095283 where: bonds (distance) C4'-P energy: -194.671 bonds (distance) P-C4' energy: -178.718 flat angles C4'-P-C4' energy: -210.811 flat angles P-C4'-P energy: -153.059 tors. eta vs tors. theta energy: -222.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2224.125901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.125901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.125901 (E_RNA) where: Base-Base interactions energy: -1356.733 where: short stacking energy: -841.603 Base-Backbone interact. energy: -6.733 local terms energy: -860.659629 where: bonds (distance) C4'-P energy: -164.637 bonds (distance) P-C4' energy: -165.360 flat angles C4'-P-C4' energy: -189.429 flat angles P-C4'-P energy: -132.452 tors. eta vs tors. theta energy: -208.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2033.583069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.583069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.583069 (E_RNA) where: Base-Base interactions energy: -1220.131 where: short stacking energy: -807.881 Base-Backbone interact. energy: -2.184 local terms energy: -811.268365 where: bonds (distance) C4'-P energy: -160.406 bonds (distance) P-C4' energy: -169.912 flat angles C4'-P-C4' energy: -173.147 flat angles P-C4'-P energy: -127.101 tors. eta vs tors. theta energy: -180.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1764.897352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.897352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.897352 (E_RNA) where: Base-Base interactions energy: -1012.864 where: short stacking energy: -666.742 Base-Backbone interact. energy: 3.579 local terms energy: -755.611885 where: bonds (distance) C4'-P energy: -160.584 bonds (distance) P-C4' energy: -176.434 flat angles C4'-P-C4' energy: -171.208 flat angles P-C4'-P energy: -110.638 tors. eta vs tors. theta energy: -136.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1579.639970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.639970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.639970 (E_RNA) where: Base-Base interactions energy: -879.732 where: short stacking energy: -569.243 Base-Backbone interact. energy: 3.464 local terms energy: -703.372084 where: bonds (distance) C4'-P energy: -169.877 bonds (distance) P-C4' energy: -165.208 flat angles C4'-P-C4' energy: -159.453 flat angles P-C4'-P energy: -108.718 tors. eta vs tors. theta energy: -100.115 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: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1339.956849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.956849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.956849 (E_RNA) where: Base-Base interactions energy: -669.234 where: short stacking energy: -451.262 Base-Backbone interact. energy: -1.035 local terms energy: -669.687802 where: bonds (distance) C4'-P energy: -149.148 bonds (distance) P-C4' energy: -159.215 flat angles C4'-P-C4' energy: -179.964 flat angles P-C4'-P energy: -99.047 tors. eta vs tors. theta energy: -82.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1161.339807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.339807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.339807 (E_RNA) where: Base-Base interactions energy: -570.856 where: short stacking energy: -413.931 Base-Backbone interact. energy: -5.683 local terms energy: -584.799831 where: bonds (distance) C4'-P energy: -145.641 bonds (distance) P-C4' energy: -150.362 flat angles C4'-P-C4' energy: -151.192 flat angles P-C4'-P energy: -84.481 tors. eta vs tors. theta energy: -53.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -958.008585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.008585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.008585 (E_RNA) where: Base-Base interactions energy: -388.542 where: short stacking energy: -332.537 Base-Backbone interact. energy: 0.980 local terms energy: -570.446405 where: bonds (distance) C4'-P energy: -154.465 bonds (distance) P-C4' energy: -168.201 flat angles C4'-P-C4' energy: -147.414 flat angles P-C4'-P energy: -85.179 tors. eta vs tors. theta energy: -15.187 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: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -817.712429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.712429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.712429 (E_RNA) where: Base-Base interactions energy: -316.610 where: short stacking energy: -267.083 Base-Backbone interact. energy: -0.807 local terms energy: -500.295345 where: bonds (distance) C4'-P energy: -154.985 bonds (distance) P-C4' energy: -156.938 flat angles C4'-P-C4' energy: -148.009 flat angles P-C4'-P energy: -65.920 tors. eta vs tors. theta energy: 25.557 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: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -738.789042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.789042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.789042 (E_RNA) where: Base-Base interactions energy: -305.016 where: short stacking energy: -269.494 Base-Backbone interact. energy: -2.855 local terms energy: -430.917332 where: bonds (distance) C4'-P energy: -143.107 bonds (distance) P-C4' energy: -143.167 flat angles C4'-P-C4' energy: -113.864 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: 14.200 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: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2486.837648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.837648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.837648 (E_RNA) where: Base-Base interactions energy: -1540.919 where: short stacking energy: -909.503 Base-Backbone interact. energy: -2.758 local terms energy: -943.160477 where: bonds (distance) C4'-P energy: -187.965 bonds (distance) P-C4' energy: -180.142 flat angles C4'-P-C4' energy: -198.415 flat angles P-C4'-P energy: -148.682 tors. eta vs tors. theta energy: -227.956 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: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2214.974703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.974703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.974703 (E_RNA) where: Base-Base interactions energy: -1342.476 where: short stacking energy: -832.923 Base-Backbone interact. energy: -2.741 local terms energy: -869.758346 where: bonds (distance) C4'-P energy: -187.166 bonds (distance) P-C4' energy: -174.277 flat angles C4'-P-C4' energy: -182.551 flat angles P-C4'-P energy: -114.264 tors. eta vs tors. theta energy: -211.499 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2023.151045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.151045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.151045 (E_RNA) where: Base-Base interactions energy: -1168.229 where: short stacking energy: -754.833 Base-Backbone interact. energy: -1.535 local terms energy: -853.387261 where: bonds (distance) C4'-P energy: -170.835 bonds (distance) P-C4' energy: -173.139 flat angles C4'-P-C4' energy: -186.029 flat angles P-C4'-P energy: -138.710 tors. eta vs tors. theta energy: -184.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1775.336086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.336086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.336086 (E_RNA) where: Base-Base interactions energy: -1024.829 where: short stacking energy: -682.317 Base-Backbone interact. energy: -5.278 local terms energy: -745.228766 where: bonds (distance) C4'-P energy: -165.353 bonds (distance) P-C4' energy: -160.752 flat angles C4'-P-C4' energy: -173.991 flat angles P-C4'-P energy: -112.501 tors. eta vs tors. theta energy: -132.632 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: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1630.932468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.932468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.932468 (E_RNA) where: Base-Base interactions energy: -940.736 where: short stacking energy: -594.405 Base-Backbone interact. energy: -0.683 local terms energy: -689.513858 where: bonds (distance) C4'-P energy: -133.786 bonds (distance) P-C4' energy: -182.771 flat angles C4'-P-C4' energy: -154.510 flat angles P-C4'-P energy: -105.307 tors. eta vs tors. theta energy: -113.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1353.713774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.713774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.713774 (E_RNA) where: Base-Base interactions energy: -696.476 where: short stacking energy: -507.655 Base-Backbone interact. energy: 3.764 local terms energy: -661.002422 where: bonds (distance) C4'-P energy: -176.328 bonds (distance) P-C4' energy: -166.342 flat angles C4'-P-C4' energy: -122.888 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -82.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1171.134287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.134287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.134287 (E_RNA) where: Base-Base interactions energy: -563.316 where: short stacking energy: -438.585 Base-Backbone interact. energy: -3.059 local terms energy: -604.759355 where: bonds (distance) C4'-P energy: -141.531 bonds (distance) P-C4' energy: -139.240 flat angles C4'-P-C4' energy: -165.683 flat angles P-C4'-P energy: -118.711 tors. eta vs tors. theta energy: -39.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -948.814529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.814529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.814529 (E_RNA) where: Base-Base interactions energy: -418.423 where: short stacking energy: -359.068 Base-Backbone interact. energy: 3.166 local terms energy: -533.557659 where: bonds (distance) C4'-P energy: -143.036 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -101.228 tors. eta vs tors. theta energy: -11.157 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: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -823.097749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.097749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.097749 (E_RNA) where: Base-Base interactions energy: -356.015 where: short stacking energy: -263.688 Base-Backbone interact. energy: -3.550 local terms energy: -463.532682 where: bonds (distance) C4'-P energy: -151.246 bonds (distance) P-C4' energy: -149.728 flat angles C4'-P-C4' energy: -134.741 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: 23.318 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: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -789.141432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.141432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.141432 (E_RNA) where: Base-Base interactions energy: -297.504 where: short stacking energy: -268.083 Base-Backbone interact. energy: 0.335 local terms energy: -491.972986 where: bonds (distance) C4'-P energy: -141.045 bonds (distance) P-C4' energy: -158.015 flat angles C4'-P-C4' energy: -122.701 flat angles P-C4'-P energy: -71.916 tors. eta vs tors. theta energy: 1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2494.587032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.587032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.587032 (E_RNA) where: Base-Base interactions energy: -1557.350 where: short stacking energy: -907.528 Base-Backbone interact. energy: -2.875 local terms energy: -934.361847 where: bonds (distance) C4'-P energy: -168.635 bonds (distance) P-C4' energy: -183.482 flat angles C4'-P-C4' energy: -215.372 flat angles P-C4'-P energy: -138.068 tors. eta vs tors. theta energy: -228.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2139.651079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.651079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.651079 (E_RNA) where: Base-Base interactions energy: -1270.667 where: short stacking energy: -799.574 Base-Backbone interact. energy: -1.457 local terms energy: -867.527487 where: bonds (distance) C4'-P energy: -163.396 bonds (distance) P-C4' energy: -192.426 flat angles C4'-P-C4' energy: -194.229 flat angles P-C4'-P energy: -138.901 tors. eta vs tors. theta energy: -178.575 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: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2067.930358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.930358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.930358 (E_RNA) where: Base-Base interactions energy: -1238.138 where: short stacking energy: -773.692 Base-Backbone interact. energy: -0.120 local terms energy: -829.672512 where: bonds (distance) C4'-P energy: -174.854 bonds (distance) P-C4' energy: -173.932 flat angles C4'-P-C4' energy: -178.462 flat angles P-C4'-P energy: -126.980 tors. eta vs tors. theta energy: -175.444 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: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1864.574041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.574041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.574041 (E_RNA) where: Base-Base interactions energy: -1092.781 where: short stacking energy: -692.978 Base-Backbone interact. energy: -1.516 local terms energy: -770.276607 where: bonds (distance) C4'-P energy: -177.041 bonds (distance) P-C4' energy: -157.673 flat angles C4'-P-C4' energy: -186.663 flat angles P-C4'-P energy: -106.671 tors. eta vs tors. theta energy: -142.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1607.087968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.087968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.087968 (E_RNA) where: Base-Base interactions energy: -926.753 where: short stacking energy: -565.438 Base-Backbone interact. energy: 0.642 local terms energy: -680.976431 where: bonds (distance) C4'-P energy: -152.947 bonds (distance) P-C4' energy: -163.749 flat angles C4'-P-C4' energy: -157.379 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -103.870 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: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1308.651853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.651853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.651853 (E_RNA) where: Base-Base interactions energy: -683.258 where: short stacking energy: -456.593 Base-Backbone interact. energy: 3.667 local terms energy: -629.060729 where: bonds (distance) C4'-P energy: -140.139 bonds (distance) P-C4' energy: -175.812 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -94.230 tors. eta vs tors. theta energy: -60.795 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: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1142.241274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.241274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.241274 (E_RNA) where: Base-Base interactions energy: -506.957 where: short stacking energy: -417.820 Base-Backbone interact. energy: -0.580 local terms energy: -634.704833 where: bonds (distance) C4'-P energy: -155.456 bonds (distance) P-C4' energy: -182.989 flat angles C4'-P-C4' energy: -156.966 flat angles P-C4'-P energy: -96.301 tors. eta vs tors. theta energy: -42.993 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: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -935.612326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.612326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.612326 (E_RNA) where: Base-Base interactions energy: -390.919 where: short stacking energy: -338.981 Base-Backbone interact. energy: -1.634 local terms energy: -543.058808 where: bonds (distance) C4'-P energy: -146.981 bonds (distance) P-C4' energy: -171.299 flat angles C4'-P-C4' energy: -128.105 flat angles P-C4'-P energy: -89.443 tors. eta vs tors. theta energy: -7.230 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: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -824.623853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.623853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.623853 (E_RNA) where: Base-Base interactions energy: -334.556 where: short stacking energy: -290.496 Base-Backbone interact. energy: 0.614 local terms energy: -490.682061 where: bonds (distance) C4'-P energy: -140.529 bonds (distance) P-C4' energy: -163.797 flat angles C4'-P-C4' energy: -130.704 flat angles P-C4'-P energy: -58.571 tors. eta vs tors. theta energy: 2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -765.797198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.797198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.797198 (E_RNA) where: Base-Base interactions energy: -333.044 where: short stacking energy: -281.467 Base-Backbone interact. energy: 0.795 local terms energy: -433.548243 where: bonds (distance) C4'-P energy: -148.154 bonds (distance) P-C4' energy: -140.043 flat angles C4'-P-C4' energy: -132.114 flat angles P-C4'-P energy: -38.857 tors. eta vs tors. theta energy: 25.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2508.263324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.263324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.263324 (E_RNA) where: Base-Base interactions energy: -1543.023 where: short stacking energy: -927.086 Base-Backbone interact. energy: -7.229 local terms energy: -958.011207 where: bonds (distance) C4'-P energy: -184.701 bonds (distance) P-C4' energy: -185.517 flat angles C4'-P-C4' energy: -205.790 flat angles P-C4'-P energy: -150.135 tors. eta vs tors. theta energy: -231.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2202.576593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.576593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.576593 (E_RNA) where: Base-Base interactions energy: -1300.478 where: short stacking energy: -858.278 Base-Backbone interact. energy: -3.567 local terms energy: -898.531085 where: bonds (distance) C4'-P energy: -185.782 bonds (distance) P-C4' energy: -177.291 flat angles C4'-P-C4' energy: -203.305 flat angles P-C4'-P energy: -122.746 tors. eta vs tors. theta energy: -209.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2116.519241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.519241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.519241 (E_RNA) where: Base-Base interactions energy: -1241.451 where: short stacking energy: -820.494 Base-Backbone interact. energy: 0.016 local terms energy: -875.083934 where: bonds (distance) C4'-P energy: -169.300 bonds (distance) P-C4' energy: -180.108 flat angles C4'-P-C4' energy: -199.087 flat angles P-C4'-P energy: -119.075 tors. eta vs tors. theta energy: -207.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1874.209193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.209193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.209193 (E_RNA) where: Base-Base interactions energy: -1143.309 where: short stacking energy: -675.959 Base-Backbone interact. energy: -3.179 local terms energy: -727.721761 where: bonds (distance) C4'-P energy: -164.290 bonds (distance) P-C4' energy: -172.633 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -132.137 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: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1590.214384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.214384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.214384 (E_RNA) where: Base-Base interactions energy: -852.566 where: short stacking energy: -589.807 Base-Backbone interact. energy: -3.698 local terms energy: -733.950421 where: bonds (distance) C4'-P energy: -161.170 bonds (distance) P-C4' energy: -178.698 flat angles C4'-P-C4' energy: -181.489 flat angles P-C4'-P energy: -104.257 tors. eta vs tors. theta energy: -108.336 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: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1368.933988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.933988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.933988 (E_RNA) where: Base-Base interactions energy: -732.664 where: short stacking energy: -534.030 Base-Backbone interact. energy: -2.919 local terms energy: -633.351092 where: bonds (distance) C4'-P energy: -147.368 bonds (distance) P-C4' energy: -140.059 flat angles C4'-P-C4' energy: -153.611 flat angles P-C4'-P energy: -110.784 tors. eta vs tors. theta energy: -81.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1090.291051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.291051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.291051 (E_RNA) where: Base-Base interactions energy: -539.238 where: short stacking energy: -407.761 Base-Backbone interact. energy: -1.836 local terms energy: -549.216925 where: bonds (distance) C4'-P energy: -156.676 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -130.297 flat angles P-C4'-P energy: -76.857 tors. eta vs tors. theta energy: -33.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -964.990508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.990508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.990508 (E_RNA) where: Base-Base interactions energy: -426.795 where: short stacking energy: -346.884 Base-Backbone interact. energy: 6.273 local terms energy: -544.468688 where: bonds (distance) C4'-P energy: -146.101 bonds (distance) P-C4' energy: -162.194 flat angles C4'-P-C4' energy: -132.766 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -11.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -829.260218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.260218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.260218 (E_RNA) where: Base-Base interactions energy: -341.105 where: short stacking energy: -300.095 Base-Backbone interact. energy: -1.218 local terms energy: -486.936493 where: bonds (distance) C4'-P energy: -124.596 bonds (distance) P-C4' energy: -167.045 flat angles C4'-P-C4' energy: -131.267 flat angles P-C4'-P energy: -77.317 tors. eta vs tors. theta energy: 13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -799.931315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.931315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.931315 (E_RNA) where: Base-Base interactions energy: -313.994 where: short stacking energy: -281.803 Base-Backbone interact. energy: -1.464 local terms energy: -484.473643 where: bonds (distance) C4'-P energy: -132.432 bonds (distance) P-C4' energy: -163.716 flat angles C4'-P-C4' energy: -124.686 flat angles P-C4'-P energy: -73.429 tors. eta vs tors. theta energy: 9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2578.258121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.258121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.258121 (E_RNA) where: Base-Base interactions energy: -1613.482 where: short stacking energy: -962.465 Base-Backbone interact. energy: -4.595 local terms energy: -960.181579 where: bonds (distance) C4'-P energy: -172.606 bonds (distance) P-C4' energy: -199.364 flat angles C4'-P-C4' energy: -216.477 flat angles P-C4'-P energy: -117.276 tors. eta vs tors. theta energy: -254.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2215.875245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.875245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.875245 (E_RNA) where: Base-Base interactions energy: -1362.875 where: short stacking energy: -862.183 Base-Backbone interact. energy: 3.139 local terms energy: -856.139524 where: bonds (distance) C4'-P energy: -156.470 bonds (distance) P-C4' energy: -170.344 flat angles C4'-P-C4' energy: -194.708 flat angles P-C4'-P energy: -135.338 tors. eta vs tors. theta energy: -199.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2039.165126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.165126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.165126 (E_RNA) where: Base-Base interactions energy: -1223.022 where: short stacking energy: -771.700 Base-Backbone interact. energy: -2.408 local terms energy: -813.735036 where: bonds (distance) C4'-P energy: -154.805 bonds (distance) P-C4' energy: -176.043 flat angles C4'-P-C4' energy: -186.041 flat angles P-C4'-P energy: -115.102 tors. eta vs tors. theta energy: -181.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1897.998244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.998244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.998244 (E_RNA) where: Base-Base interactions energy: -1106.079 where: short stacking energy: -712.730 Base-Backbone interact. energy: -4.250 local terms energy: -787.669093 where: bonds (distance) C4'-P energy: -173.378 bonds (distance) P-C4' energy: -185.389 flat angles C4'-P-C4' energy: -171.188 flat angles P-C4'-P energy: -100.717 tors. eta vs tors. theta energy: -156.996 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: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1514.106332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.106332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.106332 (E_RNA) where: Base-Base interactions energy: -835.007 where: short stacking energy: -549.550 Base-Backbone interact. energy: -0.491 local terms energy: -678.608256 where: bonds (distance) C4'-P energy: -175.657 bonds (distance) P-C4' energy: -171.453 flat angles C4'-P-C4' energy: -158.640 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -80.728 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: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1320.893581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.893581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.893581 (E_RNA) where: Base-Base interactions energy: -697.727 where: short stacking energy: -474.509 Base-Backbone interact. energy: -1.401 local terms energy: -621.765095 where: bonds (distance) C4'-P energy: -159.043 bonds (distance) P-C4' energy: -146.900 flat angles C4'-P-C4' energy: -148.066 flat angles P-C4'-P energy: -107.654 tors. eta vs tors. theta energy: -60.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1119.637694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.637694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.637694 (E_RNA) where: Base-Base interactions energy: -541.330 where: short stacking energy: -436.033 Base-Backbone interact. energy: 0.542 local terms energy: -578.850343 where: bonds (distance) C4'-P energy: -141.872 bonds (distance) P-C4' energy: -166.099 flat angles C4'-P-C4' energy: -127.208 flat angles P-C4'-P energy: -91.262 tors. eta vs tors. theta energy: -52.409 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: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -973.237798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.237798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.237798 (E_RNA) where: Base-Base interactions energy: -413.404 where: short stacking energy: -354.089 Base-Backbone interact. energy: 0.824 local terms energy: -560.657715 where: bonds (distance) C4'-P energy: -161.183 bonds (distance) P-C4' energy: -172.960 flat angles C4'-P-C4' energy: -145.850 flat angles P-C4'-P energy: -81.260 tors. eta vs tors. theta energy: 0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -867.772151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.772151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.772151 (E_RNA) where: Base-Base interactions energy: -368.706 where: short stacking energy: -327.806 Base-Backbone interact. energy: -0.926 local terms energy: -498.140227 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -134.932 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: 1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -867.142575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.142575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.142575 (E_RNA) where: Base-Base interactions energy: -379.118 where: short stacking energy: -316.055 Base-Backbone interact. energy: 2.276 local terms energy: -490.300538 where: bonds (distance) C4'-P energy: -150.367 bonds (distance) P-C4' energy: -145.104 flat angles C4'-P-C4' energy: -134.424 flat angles P-C4'-P energy: -64.154 tors. eta vs tors. theta energy: 3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2541.128596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.128596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.128596 (E_RNA) where: Base-Base interactions energy: -1604.012 where: short stacking energy: -968.740 Base-Backbone interact. energy: -9.379 local terms energy: -927.737122 where: bonds (distance) C4'-P energy: -166.530 bonds (distance) P-C4' energy: -179.959 flat angles C4'-P-C4' energy: -197.215 flat angles P-C4'-P energy: -132.350 tors. eta vs tors. theta energy: -251.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2226.252440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.252440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.252440 (E_RNA) where: Base-Base interactions energy: -1315.396 where: short stacking energy: -826.348 Base-Backbone interact. energy: -2.069 local terms energy: -908.786838 where: bonds (distance) C4'-P energy: -185.493 bonds (distance) P-C4' energy: -179.022 flat angles C4'-P-C4' energy: -207.541 flat angles P-C4'-P energy: -134.942 tors. eta vs tors. theta energy: -201.789 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: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1930.261575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.261575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.261575 (E_RNA) where: Base-Base interactions energy: -1131.045 where: short stacking energy: -693.846 Base-Backbone interact. energy: -4.105 local terms energy: -795.111035 where: bonds (distance) C4'-P energy: -165.601 bonds (distance) P-C4' energy: -168.602 flat angles C4'-P-C4' energy: -179.296 flat angles P-C4'-P energy: -129.120 tors. eta vs tors. theta energy: -152.493 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: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1932.802666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.802666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.802666 (E_RNA) where: Base-Base interactions energy: -1155.194 where: short stacking energy: -720.247 Base-Backbone interact. energy: -4.052 local terms energy: -773.556771 where: bonds (distance) C4'-P energy: -155.745 bonds (distance) P-C4' energy: -158.267 flat angles C4'-P-C4' energy: -185.543 flat angles P-C4'-P energy: -115.636 tors. eta vs tors. theta energy: -158.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1600.177783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.177783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.177783 (E_RNA) where: Base-Base interactions energy: -881.585 where: short stacking energy: -627.746 Base-Backbone interact. energy: -0.597 local terms energy: -717.996083 where: bonds (distance) C4'-P energy: -145.460 bonds (distance) P-C4' energy: -171.288 flat angles C4'-P-C4' energy: -178.790 flat angles P-C4'-P energy: -96.864 tors. eta vs tors. theta energy: -125.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1336.937201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.937201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.937201 (E_RNA) where: Base-Base interactions energy: -733.410 where: short stacking energy: -516.331 Base-Backbone interact. energy: 2.363 local terms energy: -605.889564 where: bonds (distance) C4'-P energy: -160.293 bonds (distance) P-C4' energy: -153.826 flat angles C4'-P-C4' energy: -161.080 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -52.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1088.416079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.416079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.416079 (E_RNA) where: Base-Base interactions energy: -544.751 where: short stacking energy: -394.620 Base-Backbone interact. energy: 4.068 local terms energy: -547.733120 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -152.711 flat angles C4'-P-C4' energy: -139.865 flat angles P-C4'-P energy: -94.491 tors. eta vs tors. theta energy: -24.153 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: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -907.215342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.215342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.215342 (E_RNA) where: Base-Base interactions energy: -402.676 where: short stacking energy: -362.361 Base-Backbone interact. energy: -0.056 local terms energy: -504.483189 where: bonds (distance) C4'-P energy: -143.570 bonds (distance) P-C4' energy: -127.621 flat angles C4'-P-C4' energy: -121.230 flat angles P-C4'-P energy: -91.143 tors. eta vs tors. theta energy: -20.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -859.276715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.276715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.276715 (E_RNA) where: Base-Base interactions energy: -346.677 where: short stacking energy: -304.340 Base-Backbone interact. energy: -2.977 local terms energy: -509.622883 where: bonds (distance) C4'-P energy: -146.806 bonds (distance) P-C4' energy: -170.016 flat angles C4'-P-C4' energy: -119.059 flat angles P-C4'-P energy: -74.299 tors. eta vs tors. theta energy: 0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -768.299656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.299656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.299656 (E_RNA) where: Base-Base interactions energy: -298.543 where: short stacking energy: -237.562 Base-Backbone interact. energy: 0.411 local terms energy: -470.167900 where: bonds (distance) C4'-P energy: -134.571 bonds (distance) P-C4' energy: -157.098 flat angles C4'-P-C4' energy: -118.778 flat angles P-C4'-P energy: -75.930 tors. eta vs tors. theta energy: 16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2463.574044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.574044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.574044 (E_RNA) where: Base-Base interactions energy: -1539.232 where: short stacking energy: -923.646 Base-Backbone interact. energy: -4.559 local terms energy: -919.783180 where: bonds (distance) C4'-P energy: -174.490 bonds (distance) P-C4' energy: -190.207 flat angles C4'-P-C4' energy: -196.490 flat angles P-C4'-P energy: -131.928 tors. eta vs tors. theta energy: -226.669 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: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2247.450519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.450519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.450519 (E_RNA) where: Base-Base interactions energy: -1360.270 where: short stacking energy: -870.460 Base-Backbone interact. energy: -5.054 local terms energy: -882.126573 where: bonds (distance) C4'-P energy: -177.126 bonds (distance) P-C4' energy: -182.222 flat angles C4'-P-C4' energy: -178.529 flat angles P-C4'-P energy: -136.954 tors. eta vs tors. theta energy: -207.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1998.905478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.905478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.905478 (E_RNA) where: Base-Base interactions energy: -1189.335 where: short stacking energy: -781.665 Base-Backbone interact. energy: -3.229 local terms energy: -806.341545 where: bonds (distance) C4'-P energy: -170.406 bonds (distance) P-C4' energy: -167.559 flat angles C4'-P-C4' energy: -183.392 flat angles P-C4'-P energy: -117.800 tors. eta vs tors. theta energy: -167.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1972.563044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.563044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.563044 (E_RNA) where: Base-Base interactions energy: -1192.736 where: short stacking energy: -724.557 Base-Backbone interact. energy: -0.517 local terms energy: -779.310371 where: bonds (distance) C4'-P energy: -158.943 bonds (distance) P-C4' energy: -177.530 flat angles C4'-P-C4' energy: -185.398 flat angles P-C4'-P energy: -107.430 tors. eta vs tors. theta energy: -150.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1598.851366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.851366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.851366 (E_RNA) where: Base-Base interactions energy: -898.255 where: short stacking energy: -583.177 Base-Backbone interact. energy: -1.329 local terms energy: -699.267165 where: bonds (distance) C4'-P energy: -159.562 bonds (distance) P-C4' energy: -161.172 flat angles C4'-P-C4' energy: -171.559 flat angles P-C4'-P energy: -96.806 tors. eta vs tors. theta energy: -110.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1351.212765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.212765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.212765 (E_RNA) where: Base-Base interactions energy: -688.465 where: short stacking energy: -444.948 Base-Backbone interact. energy: -4.648 local terms energy: -658.099693 where: bonds (distance) C4'-P energy: -168.356 bonds (distance) P-C4' energy: -184.907 flat angles C4'-P-C4' energy: -148.201 flat angles P-C4'-P energy: -106.616 tors. eta vs tors. theta energy: -50.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1083.059993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.059993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.059993 (E_RNA) where: Base-Base interactions energy: -521.985 where: short stacking energy: -415.937 Base-Backbone interact. energy: 6.048 local terms energy: -567.123373 where: bonds (distance) C4'-P energy: -148.774 bonds (distance) P-C4' energy: -148.830 flat angles C4'-P-C4' energy: -149.927 flat angles P-C4'-P energy: -74.193 tors. eta vs tors. theta energy: -45.399 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: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -954.013266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.013266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.013266 (E_RNA) where: Base-Base interactions energy: -436.051 where: short stacking energy: -360.331 Base-Backbone interact. energy: 0.993 local terms energy: -518.954955 where: bonds (distance) C4'-P energy: -124.286 bonds (distance) P-C4' energy: -148.983 flat angles C4'-P-C4' energy: -153.030 flat angles P-C4'-P energy: -86.576 tors. eta vs tors. theta energy: -6.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -859.221205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.221205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.221205 (E_RNA) where: Base-Base interactions energy: -381.788 where: short stacking energy: -302.114 Base-Backbone interact. energy: 0.064 local terms energy: -477.497113 where: bonds (distance) C4'-P energy: -138.848 bonds (distance) P-C4' energy: -139.479 flat angles C4'-P-C4' energy: -144.062 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: 13.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -775.340684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.340684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.340684 (E_RNA) where: Base-Base interactions energy: -294.905 where: short stacking energy: -272.341 Base-Backbone interact. energy: 3.542 local terms energy: -483.978209 where: bonds (distance) C4'-P energy: -160.234 bonds (distance) P-C4' energy: -156.354 flat angles C4'-P-C4' energy: -125.136 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: 10.799 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: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2478.229010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.229010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.229010 (E_RNA) where: Base-Base interactions energy: -1520.474 where: short stacking energy: -938.250 Base-Backbone interact. energy: -2.136 local terms energy: -955.618840 where: bonds (distance) C4'-P energy: -200.952 bonds (distance) P-C4' energy: -173.425 flat angles C4'-P-C4' energy: -208.458 flat angles P-C4'-P energy: -126.645 tors. eta vs tors. theta energy: -246.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2220.246008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.246008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.246008 (E_RNA) where: Base-Base interactions energy: -1313.786 where: short stacking energy: -830.501 Base-Backbone interact. energy: -4.842 local terms energy: -901.618433 where: bonds (distance) C4'-P energy: -181.039 bonds (distance) P-C4' energy: -192.008 flat angles C4'-P-C4' energy: -199.356 flat angles P-C4'-P energy: -129.877 tors. eta vs tors. theta energy: -199.339 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: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1980.900602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.900602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.900602 (E_RNA) where: Base-Base interactions energy: -1161.042 where: short stacking energy: -743.411 Base-Backbone interact. energy: 1.328 local terms energy: -821.187237 where: bonds (distance) C4'-P energy: -181.148 bonds (distance) P-C4' energy: -183.059 flat angles C4'-P-C4' energy: -185.219 flat angles P-C4'-P energy: -105.724 tors. eta vs tors. theta energy: -166.037 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: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1986.983826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.983826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.983826 (E_RNA) where: Base-Base interactions energy: -1177.066 where: short stacking energy: -725.212 Base-Backbone interact. energy: -3.891 local terms energy: -806.027194 where: bonds (distance) C4'-P energy: -167.362 bonds (distance) P-C4' energy: -176.925 flat angles C4'-P-C4' energy: -178.263 flat angles P-C4'-P energy: -128.397 tors. eta vs tors. theta energy: -155.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1650.717882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.717882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.717882 (E_RNA) where: Base-Base interactions energy: -925.101 where: short stacking energy: -604.566 Base-Backbone interact. energy: -0.104 local terms energy: -725.512771 where: bonds (distance) C4'-P energy: -168.213 bonds (distance) P-C4' energy: -167.205 flat angles C4'-P-C4' energy: -160.851 flat angles P-C4'-P energy: -101.262 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: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1364.983874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.983874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.983874 (E_RNA) where: Base-Base interactions energy: -752.184 where: short stacking energy: -507.617 Base-Backbone interact. energy: -0.052 local terms energy: -612.747735 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -160.805 flat angles C4'-P-C4' energy: -159.537 flat angles P-C4'-P energy: -90.009 tors. eta vs tors. theta energy: -65.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1065.984876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.984876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.984876 (E_RNA) where: Base-Base interactions energy: -509.139 where: short stacking energy: -448.850 Base-Backbone interact. energy: -2.531 local terms energy: -554.315148 where: bonds (distance) C4'-P energy: -146.711 bonds (distance) P-C4' energy: -162.096 flat angles C4'-P-C4' energy: -128.583 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -27.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -944.416582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.416582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.416582 (E_RNA) where: Base-Base interactions energy: -418.035 where: short stacking energy: -363.207 Base-Backbone interact. energy: 4.975 local terms energy: -531.356627 where: bonds (distance) C4'-P energy: -149.249 bonds (distance) P-C4' energy: -148.002 flat angles C4'-P-C4' energy: -138.010 flat angles P-C4'-P energy: -73.640 tors. eta vs tors. theta energy: -22.455 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: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -821.566945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.566945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.566945 (E_RNA) where: Base-Base interactions energy: -307.402 where: short stacking energy: -279.682 Base-Backbone interact. energy: 1.980 local terms energy: -516.144633 where: bonds (distance) C4'-P energy: -155.211 bonds (distance) P-C4' energy: -161.295 flat angles C4'-P-C4' energy: -136.802 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: 7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -774.077851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.077851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.077851 (E_RNA) where: Base-Base interactions energy: -304.097 where: short stacking energy: -265.208 Base-Backbone interact. energy: 0.118 local terms energy: -470.098588 where: bonds (distance) C4'-P energy: -142.673 bonds (distance) P-C4' energy: -136.550 flat angles C4'-P-C4' energy: -143.555 flat angles P-C4'-P energy: -55.093 tors. eta vs tors. theta energy: 7.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2600.386728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.386728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.386728 (E_RNA) where: Base-Base interactions energy: -1608.462 where: short stacking energy: -994.687 Base-Backbone interact. energy: -4.396 local terms energy: -987.528871 where: bonds (distance) C4'-P energy: -203.816 bonds (distance) P-C4' energy: -180.313 flat angles C4'-P-C4' energy: -196.501 flat angles P-C4'-P energy: -147.705 tors. eta vs tors. theta energy: -259.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2243.634994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.634994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.634994 (E_RNA) where: Base-Base interactions energy: -1350.073 where: short stacking energy: -870.214 Base-Backbone interact. energy: -0.699 local terms energy: -892.862704 where: bonds (distance) C4'-P energy: -177.367 bonds (distance) P-C4' energy: -176.409 flat angles C4'-P-C4' energy: -189.415 flat angles P-C4'-P energy: -129.578 tors. eta vs tors. theta energy: -220.094 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: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2021.152375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.152375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.152375 (E_RNA) where: Base-Base interactions energy: -1212.754 where: short stacking energy: -771.329 Base-Backbone interact. energy: -1.623 local terms energy: -806.774880 where: bonds (distance) C4'-P energy: -158.139 bonds (distance) P-C4' energy: -178.518 flat angles C4'-P-C4' energy: -191.508 flat angles P-C4'-P energy: -107.387 tors. eta vs tors. theta energy: -171.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1934.537504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.537504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.537504 (E_RNA) where: Base-Base interactions energy: -1176.466 where: short stacking energy: -718.061 Base-Backbone interact. energy: -1.619 local terms energy: -756.452218 where: bonds (distance) C4'-P energy: -150.702 bonds (distance) P-C4' energy: -153.440 flat angles C4'-P-C4' energy: -190.448 flat angles P-C4'-P energy: -112.330 tors. eta vs tors. theta energy: -149.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1622.941774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.941774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.941774 (E_RNA) where: Base-Base interactions energy: -917.037 where: short stacking energy: -602.828 Base-Backbone interact. energy: 1.553 local terms energy: -707.457384 where: bonds (distance) C4'-P energy: -170.468 bonds (distance) P-C4' energy: -163.679 flat angles C4'-P-C4' energy: -160.803 flat angles P-C4'-P energy: -108.020 tors. eta vs tors. theta energy: -104.487 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: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1385.860200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.860200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.860200 (E_RNA) where: Base-Base interactions energy: -740.496 where: short stacking energy: -529.291 Base-Backbone interact. energy: -4.019 local terms energy: -641.344650 where: bonds (distance) C4'-P energy: -136.123 bonds (distance) P-C4' energy: -171.011 flat angles C4'-P-C4' energy: -159.613 flat angles P-C4'-P energy: -87.102 tors. eta vs tors. theta energy: -87.496 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: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1096.416852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.416852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.416852 (E_RNA) where: Base-Base interactions energy: -519.584 where: short stacking energy: -432.448 Base-Backbone interact. energy: -1.611 local terms energy: -575.221376 where: bonds (distance) C4'-P energy: -156.593 bonds (distance) P-C4' energy: -147.630 flat angles C4'-P-C4' energy: -149.585 flat angles P-C4'-P energy: -82.224 tors. eta vs tors. theta energy: -39.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -977.040936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.040936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.040936 (E_RNA) where: Base-Base interactions energy: -423.697 where: short stacking energy: -353.193 Base-Backbone interact. energy: -6.347 local terms energy: -546.997574 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -156.405 flat angles C4'-P-C4' energy: -145.969 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -20.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -839.274082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.274082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.274082 (E_RNA) where: Base-Base interactions energy: -337.839 where: short stacking energy: -295.407 Base-Backbone interact. energy: -3.325 local terms energy: -498.110505 where: bonds (distance) C4'-P energy: -152.535 bonds (distance) P-C4' energy: -143.723 flat angles C4'-P-C4' energy: -141.962 flat angles P-C4'-P energy: -70.885 tors. eta vs tors. theta energy: 10.995 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: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -812.353771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.353771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.353771 (E_RNA) where: Base-Base interactions energy: -352.966 where: short stacking energy: -283.857 Base-Backbone interact. energy: 2.403 local terms energy: -461.791187 where: bonds (distance) C4'-P energy: -140.909 bonds (distance) P-C4' energy: -158.744 flat angles C4'-P-C4' energy: -108.382 flat angles P-C4'-P energy: -64.664 tors. eta vs tors. theta energy: 10.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2519.977614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.977614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.977614 (E_RNA) where: Base-Base interactions energy: -1591.986 where: short stacking energy: -951.878 Base-Backbone interact. energy: -5.513 local terms energy: -922.479153 where: bonds (distance) C4'-P energy: -164.192 bonds (distance) P-C4' energy: -174.967 flat angles C4'-P-C4' energy: -218.774 flat angles P-C4'-P energy: -117.744 tors. eta vs tors. theta energy: -246.803 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: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2255.838922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.838922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.838922 (E_RNA) where: Base-Base interactions energy: -1372.039 where: short stacking energy: -866.488 Base-Backbone interact. energy: -2.609 local terms energy: -881.191103 where: bonds (distance) C4'-P energy: -194.956 bonds (distance) P-C4' energy: -173.754 flat angles C4'-P-C4' energy: -187.997 flat angles P-C4'-P energy: -118.530 tors. eta vs tors. theta energy: -205.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2011.466336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.466336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.466336 (E_RNA) where: Base-Base interactions energy: -1177.611 where: short stacking energy: -761.114 Base-Backbone interact. energy: -3.135 local terms energy: -830.720578 where: bonds (distance) C4'-P energy: -182.770 bonds (distance) P-C4' energy: -183.035 flat angles C4'-P-C4' energy: -189.267 flat angles P-C4'-P energy: -106.128 tors. eta vs tors. theta energy: -169.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1957.491112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.491112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.491112 (E_RNA) where: Base-Base interactions energy: -1162.359 where: short stacking energy: -706.082 Base-Backbone interact. energy: -3.259 local terms energy: -791.872647 where: bonds (distance) C4'-P energy: -170.651 bonds (distance) P-C4' energy: -173.370 flat angles C4'-P-C4' energy: -178.138 flat angles P-C4'-P energy: -116.659 tors. eta vs tors. theta energy: -153.055 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: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1565.754298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.754298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.754298 (E_RNA) where: Base-Base interactions energy: -889.253 where: short stacking energy: -598.179 Base-Backbone interact. energy: -2.213 local terms energy: -674.288706 where: bonds (distance) C4'-P energy: -146.109 bonds (distance) P-C4' energy: -173.454 flat angles C4'-P-C4' energy: -147.255 flat angles P-C4'-P energy: -93.806 tors. eta vs tors. theta energy: -113.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1337.484508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.484508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.484508 (E_RNA) where: Base-Base interactions energy: -677.722 where: short stacking energy: -507.838 Base-Backbone interact. energy: -0.248 local terms energy: -659.514087 where: bonds (distance) C4'-P energy: -148.299 bonds (distance) P-C4' energy: -173.067 flat angles C4'-P-C4' energy: -169.693 flat angles P-C4'-P energy: -81.661 tors. eta vs tors. theta energy: -86.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1058.032749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.032749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.032749 (E_RNA) where: Base-Base interactions energy: -495.826 where: short stacking energy: -386.231 Base-Backbone interact. energy: 6.124 local terms energy: -568.330490 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -152.062 flat angles C4'-P-C4' energy: -156.739 flat angles P-C4'-P energy: -87.388 tors. eta vs tors. theta energy: -21.156 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: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1064.169898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.169898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.169898 (E_RNA) where: Base-Base interactions energy: -504.490 where: short stacking energy: -415.432 Base-Backbone interact. energy: -3.562 local terms energy: -556.117149 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -150.455 flat angles C4'-P-C4' energy: -170.805 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -41.097 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: 117 Temperature: 1.300000 Total energy: -884.992845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.992845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.992845 (E_RNA) where: Base-Base interactions energy: -382.333 where: short stacking energy: -310.277 Base-Backbone interact. energy: -0.948 local terms energy: -501.711354 where: bonds (distance) C4'-P energy: -139.363 bonds (distance) P-C4' energy: -140.799 flat angles C4'-P-C4' energy: -155.264 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -11.007 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -801.411761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.411761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.411761 (E_RNA) where: Base-Base interactions energy: -302.971 where: short stacking energy: -248.817 Base-Backbone interact. energy: -4.229 local terms energy: -494.212024 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -162.184 flat angles C4'-P-C4' energy: -123.390 flat angles P-C4'-P energy: -86.599 tors. eta vs tors. theta energy: 30.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2492.154617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.154617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.154617 (E_RNA) where: Base-Base interactions energy: -1555.860 where: short stacking energy: -934.201 Base-Backbone interact. energy: -6.235 local terms energy: -930.059507 where: bonds (distance) C4'-P energy: -168.393 bonds (distance) P-C4' energy: -189.593 flat angles C4'-P-C4' energy: -207.341 flat angles P-C4'-P energy: -128.137 tors. eta vs tors. theta energy: -236.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2211.658562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.658562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.658562 (E_RNA) where: Base-Base interactions energy: -1334.570 where: short stacking energy: -854.873 Base-Backbone interact. energy: -1.763 local terms energy: -875.325582 where: bonds (distance) C4'-P energy: -180.772 bonds (distance) P-C4' energy: -167.669 flat angles C4'-P-C4' energy: -199.675 flat angles P-C4'-P energy: -129.079 tors. eta vs tors. theta energy: -198.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2042.136185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.136185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.136185 (E_RNA) where: Base-Base interactions energy: -1210.448 where: short stacking energy: -759.440 Base-Backbone interact. energy: -1.576 local terms energy: -830.111786 where: bonds (distance) C4'-P energy: -170.079 bonds (distance) P-C4' energy: -181.341 flat angles C4'-P-C4' energy: -181.632 flat angles P-C4'-P energy: -125.999 tors. eta vs tors. theta energy: -171.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2019.287390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.287390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.287390 (E_RNA) where: Base-Base interactions energy: -1202.848 where: short stacking energy: -712.927 Base-Backbone interact. energy: -4.626 local terms energy: -811.813440 where: bonds (distance) C4'-P energy: -170.687 bonds (distance) P-C4' energy: -179.989 flat angles C4'-P-C4' energy: -182.812 flat angles P-C4'-P energy: -115.514 tors. eta vs tors. theta energy: -162.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1601.136565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.136565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.136565 (E_RNA) where: Base-Base interactions energy: -888.164 where: short stacking energy: -573.176 Base-Backbone interact. energy: -2.832 local terms energy: -710.140676 where: bonds (distance) C4'-P energy: -162.291 bonds (distance) P-C4' energy: -167.882 flat angles C4'-P-C4' energy: -157.557 flat angles P-C4'-P energy: -95.824 tors. eta vs tors. theta energy: -126.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1312.788097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.788097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.788097 (E_RNA) where: Base-Base interactions energy: -702.724 where: short stacking energy: -523.807 Base-Backbone interact. energy: 3.081 local terms energy: -613.145028 where: bonds (distance) C4'-P energy: -139.078 bonds (distance) P-C4' energy: -172.500 flat angles C4'-P-C4' energy: -149.337 flat angles P-C4'-P energy: -79.983 tors. eta vs tors. theta energy: -72.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1062.332828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.332828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.332828 (E_RNA) where: Base-Base interactions energy: -466.270 where: short stacking energy: -390.706 Base-Backbone interact. energy: -0.969 local terms energy: -595.094295 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -176.636 flat angles C4'-P-C4' energy: -137.267 flat angles P-C4'-P energy: -84.806 tors. eta vs tors. theta energy: -43.786 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: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -981.592144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.592144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.592144 (E_RNA) where: Base-Base interactions energy: -468.768 where: short stacking energy: -370.167 Base-Backbone interact. energy: -6.457 local terms energy: -506.366908 where: bonds (distance) C4'-P energy: -122.424 bonds (distance) P-C4' energy: -161.570 flat angles C4'-P-C4' energy: -123.311 flat angles P-C4'-P energy: -80.980 tors. eta vs tors. theta energy: -18.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -838.122382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.122382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.122382 (E_RNA) where: Base-Base interactions energy: -349.976 where: short stacking energy: -316.151 Base-Backbone interact. energy: 2.203 local terms energy: -490.349047 where: bonds (distance) C4'-P energy: -131.532 bonds (distance) P-C4' energy: -148.910 flat angles C4'-P-C4' energy: -145.549 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: 18.181 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: 118 Temperature: 1.350000 Total energy: -802.419974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.419974 (E_RNA) where: Base-Base interactions energy: -325.946 where: short stacking energy: -281.340 Base-Backbone interact. energy: -1.029 local terms energy: -475.444970 where: bonds (distance) C4'-P energy: -143.306 bonds (distance) P-C4' energy: -151.534 flat angles C4'-P-C4' energy: -137.699 flat angles P-C4'-P energy: -59.327 tors. eta vs tors. theta energy: 16.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2495.381028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.381028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.381028 (E_RNA) where: Base-Base interactions energy: -1581.337 where: short stacking energy: -957.755 Base-Backbone interact. energy: -7.608 local terms energy: -906.435865 where: bonds (distance) C4'-P energy: -160.888 bonds (distance) P-C4' energy: -180.657 flat angles C4'-P-C4' energy: -205.857 flat angles P-C4'-P energy: -130.548 tors. eta vs tors. theta energy: -228.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2200.413146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.413146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.413146 (E_RNA) where: Base-Base interactions energy: -1307.994 where: short stacking energy: -851.037 Base-Backbone interact. energy: -0.411 local terms energy: -892.008195 where: bonds (distance) C4'-P energy: -174.247 bonds (distance) P-C4' energy: -187.158 flat angles C4'-P-C4' energy: -197.716 flat angles P-C4'-P energy: -130.915 tors. eta vs tors. theta energy: -201.972 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: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2070.361539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.361539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.361539 (E_RNA) where: Base-Base interactions energy: -1262.568 where: short stacking energy: -783.411 Base-Backbone interact. energy: 1.007 local terms energy: -808.801152 where: bonds (distance) C4'-P energy: -164.400 bonds (distance) P-C4' energy: -170.588 flat angles C4'-P-C4' energy: -186.346 flat angles P-C4'-P energy: -120.354 tors. eta vs tors. theta energy: -167.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2002.723213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.723213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.723213 (E_RNA) where: Base-Base interactions energy: -1223.744 where: short stacking energy: -751.873 Base-Backbone interact. energy: 0.766 local terms energy: -779.744825 where: bonds (distance) C4'-P energy: -147.895 bonds (distance) P-C4' energy: -171.161 flat angles C4'-P-C4' energy: -183.596 flat angles P-C4'-P energy: -122.628 tors. eta vs tors. theta energy: -154.465 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: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1612.350843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.350843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.350843 (E_RNA) where: Base-Base interactions energy: -900.859 where: short stacking energy: -576.215 Base-Backbone interact. energy: 3.320 local terms energy: -714.812591 where: bonds (distance) C4'-P energy: -153.172 bonds (distance) P-C4' energy: -171.755 flat angles C4'-P-C4' energy: -176.524 flat angles P-C4'-P energy: -102.848 tors. eta vs tors. theta energy: -110.514 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: 119 Temperature: 1.150000 Total energy: -1231.892255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.892255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.892255 (E_RNA) where: Base-Base interactions energy: -618.645 where: short stacking energy: -444.378 Base-Backbone interact. energy: -2.022 local terms energy: -611.225856 where: bonds (distance) C4'-P energy: -181.064 bonds (distance) P-C4' energy: -162.066 flat angles C4'-P-C4' energy: -160.250 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -26.497 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: 119 Temperature: 1.200000 Total energy: -1032.285522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.285522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.285522 (E_RNA) where: Base-Base interactions energy: -468.333 where: short stacking energy: -398.637 Base-Backbone interact. energy: 6.343 local terms energy: -570.295076 where: bonds (distance) C4'-P energy: -147.114 bonds (distance) P-C4' energy: -162.287 flat angles C4'-P-C4' energy: -146.757 flat angles P-C4'-P energy: -84.170 tors. eta vs tors. theta energy: -29.967 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: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -957.563741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.563741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.563741 (E_RNA) where: Base-Base interactions energy: -412.319 where: short stacking energy: -342.528 Base-Backbone interact. energy: -0.257 local terms energy: -544.988377 where: bonds (distance) C4'-P energy: -138.348 bonds (distance) P-C4' energy: -177.276 flat angles C4'-P-C4' energy: -115.784 flat angles P-C4'-P energy: -77.095 tors. eta vs tors. theta energy: -36.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -851.362461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.362461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.362461 (E_RNA) where: Base-Base interactions energy: -375.365 where: short stacking energy: -308.065 Base-Backbone interact. energy: -5.315 local terms energy: -470.682750 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -146.802 flat angles C4'-P-C4' energy: -131.419 flat angles P-C4'-P energy: -70.665 tors. eta vs tors. theta energy: 20.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -732.113261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.113261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.113261 (E_RNA) where: Base-Base interactions energy: -270.922 where: short stacking energy: -254.904 Base-Backbone interact. energy: -2.126 local terms energy: -459.065220 where: bonds (distance) C4'-P energy: -129.990 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -135.144 flat angles P-C4'-P energy: -64.381 tors. eta vs tors. theta energy: 18.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2530.581426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.581426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.581426 (E_RNA) where: Base-Base interactions energy: -1582.550 where: short stacking energy: -934.018 Base-Backbone interact. energy: -3.343 local terms energy: -944.688885 where: bonds (distance) C4'-P energy: -169.636 bonds (distance) P-C4' energy: -188.877 flat angles C4'-P-C4' energy: -217.743 flat angles P-C4'-P energy: -131.113 tors. eta vs tors. theta energy: -237.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2245.443128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.443128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.443128 (E_RNA) where: Base-Base interactions energy: -1338.904 where: short stacking energy: -856.764 Base-Backbone interact. energy: -2.484 local terms energy: -904.055293 where: bonds (distance) C4'-P energy: -175.946 bonds (distance) P-C4' energy: -175.145 flat angles C4'-P-C4' energy: -206.190 flat angles P-C4'-P energy: -131.485 tors. eta vs tors. theta energy: -215.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2047.394528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.394528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.394528 (E_RNA) where: Base-Base interactions energy: -1220.108 where: short stacking energy: -794.973 Base-Backbone interact. energy: -3.631 local terms energy: -823.655742 where: bonds (distance) C4'-P energy: -166.521 bonds (distance) P-C4' energy: -162.007 flat angles C4'-P-C4' energy: -200.989 flat angles P-C4'-P energy: -107.236 tors. eta vs tors. theta energy: -186.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1992.904869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.904869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.904869 (E_RNA) where: Base-Base interactions energy: -1194.531 where: short stacking energy: -741.867 Base-Backbone interact. energy: -2.926 local terms energy: -795.447843 where: bonds (distance) C4'-P energy: -159.507 bonds (distance) P-C4' energy: -169.017 flat angles C4'-P-C4' energy: -171.696 flat angles P-C4'-P energy: -120.686 tors. eta vs tors. theta energy: -174.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1606.896236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.896236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.896236 (E_RNA) where: Base-Base interactions energy: -907.466 where: short stacking energy: -620.099 Base-Backbone interact. energy: -2.276 local terms energy: -697.154899 where: bonds (distance) C4'-P energy: -159.661 bonds (distance) P-C4' energy: -163.481 flat angles C4'-P-C4' energy: -173.660 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -119.198 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: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1390.980041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.980041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.980041 (E_RNA) where: Base-Base interactions energy: -728.429 where: short stacking energy: -537.654 Base-Backbone interact. energy: -2.700 local terms energy: -659.850891 where: bonds (distance) C4'-P energy: -140.538 bonds (distance) P-C4' energy: -157.877 flat angles C4'-P-C4' energy: -155.264 flat angles P-C4'-P energy: -106.174 tors. eta vs tors. theta energy: -99.997 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: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1050.074303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.074303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.074303 (E_RNA) where: Base-Base interactions energy: -456.286 where: short stacking energy: -395.701 Base-Backbone interact. energy: -1.397 local terms energy: -592.391665 where: bonds (distance) C4'-P energy: -170.206 bonds (distance) P-C4' energy: -170.098 flat angles C4'-P-C4' energy: -129.456 flat angles P-C4'-P energy: -97.964 tors. eta vs tors. theta energy: -24.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -952.779509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.779509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.779509 (E_RNA) where: Base-Base interactions energy: -417.418 where: short stacking energy: -386.032 Base-Backbone interact. energy: -3.133 local terms energy: -532.228726 where: bonds (distance) C4'-P energy: -150.878 bonds (distance) P-C4' energy: -156.382 flat angles C4'-P-C4' energy: -116.587 flat angles P-C4'-P energy: -86.005 tors. eta vs tors. theta energy: -22.376 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: 120 Temperature: 1.300000 Total energy: -847.764615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.764615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.764615 (E_RNA) where: Base-Base interactions energy: -325.602 where: short stacking energy: -288.781 Base-Backbone interact. energy: -1.002 local terms energy: -521.160880 where: bonds (distance) C4'-P energy: -174.604 bonds (distance) P-C4' energy: -152.204 flat angles C4'-P-C4' energy: -139.764 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: 11.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -739.144452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.144452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.144452 (E_RNA) where: Base-Base interactions energy: -259.494 where: short stacking energy: -228.519 Base-Backbone interact. energy: -2.930 local terms energy: -476.719925 where: bonds (distance) C4'-P energy: -162.154 bonds (distance) P-C4' energy: -167.775 flat angles C4'-P-C4' energy: -118.662 flat angles P-C4'-P energy: -50.495 tors. eta vs tors. theta energy: 22.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2508.426196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.426196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.426196 (E_RNA) where: Base-Base interactions energy: -1587.402 where: short stacking energy: -929.083 Base-Backbone interact. energy: -4.891 local terms energy: -916.133106 where: bonds (distance) C4'-P energy: -177.194 bonds (distance) P-C4' energy: -171.172 flat angles C4'-P-C4' energy: -203.189 flat angles P-C4'-P energy: -132.772 tors. eta vs tors. theta energy: -231.808 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: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2206.875174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.875174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.875174 (E_RNA) where: Base-Base interactions energy: -1337.482 where: short stacking energy: -846.756 Base-Backbone interact. energy: 0.218 local terms energy: -869.611118 where: bonds (distance) C4'-P energy: -181.045 bonds (distance) P-C4' energy: -179.377 flat angles C4'-P-C4' energy: -198.760 flat angles P-C4'-P energy: -117.574 tors. eta vs tors. theta energy: -192.855 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: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2015.524520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.524520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.524520 (E_RNA) where: Base-Base interactions energy: -1173.475 where: short stacking energy: -743.409 Base-Backbone interact. energy: -0.021 local terms energy: -842.028026 where: bonds (distance) C4'-P energy: -180.520 bonds (distance) P-C4' energy: -176.901 flat angles C4'-P-C4' energy: -188.178 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -187.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1947.255840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.255840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.255840 (E_RNA) where: Base-Base interactions energy: -1156.987 where: short stacking energy: -711.910 Base-Backbone interact. energy: 1.555 local terms energy: -791.823869 where: bonds (distance) C4'-P energy: -175.644 bonds (distance) P-C4' energy: -173.832 flat angles C4'-P-C4' energy: -173.414 flat angles P-C4'-P energy: -124.222 tors. eta vs tors. theta energy: -144.712 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: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1614.655007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.655007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.655007 (E_RNA) where: Base-Base interactions energy: -913.506 where: short stacking energy: -646.008 Base-Backbone interact. energy: -1.385 local terms energy: -699.764659 where: bonds (distance) C4'-P energy: -127.867 bonds (distance) P-C4' energy: -171.598 flat angles C4'-P-C4' energy: -176.984 flat angles P-C4'-P energy: -98.743 tors. eta vs tors. theta energy: -124.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1313.582331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.582331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.582331 (E_RNA) where: Base-Base interactions energy: -652.300 where: short stacking energy: -483.089 Base-Backbone interact. energy: -1.549 local terms energy: -659.733505 where: bonds (distance) C4'-P energy: -154.121 bonds (distance) P-C4' energy: -178.755 flat angles C4'-P-C4' energy: -150.319 flat angles P-C4'-P energy: -111.670 tors. eta vs tors. theta energy: -64.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1128.052906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.052906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.052906 (E_RNA) where: Base-Base interactions energy: -560.026 where: short stacking energy: -451.550 Base-Backbone interact. energy: -2.737 local terms energy: -565.289949 where: bonds (distance) C4'-P energy: -127.574 bonds (distance) P-C4' energy: -163.256 flat angles C4'-P-C4' energy: -157.789 flat angles P-C4'-P energy: -93.974 tors. eta vs tors. theta energy: -22.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -910.312764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.312764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.312764 (E_RNA) where: Base-Base interactions energy: -361.771 where: short stacking energy: -317.486 Base-Backbone interact. energy: -0.677 local terms energy: -547.864888 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -148.129 flat angles C4'-P-C4' energy: -138.484 flat angles P-C4'-P energy: -91.181 tors. eta vs tors. theta energy: -20.449 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: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -825.056694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.056694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.056694 (E_RNA) where: Base-Base interactions energy: -334.807 where: short stacking energy: -301.957 Base-Backbone interact. energy: 0.185 local terms energy: -490.435227 where: bonds (distance) C4'-P energy: -147.196 bonds (distance) P-C4' energy: -152.864 flat angles C4'-P-C4' energy: -108.901 flat angles P-C4'-P energy: -85.812 tors. eta vs tors. theta energy: 4.338 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: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -727.759938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.759938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.759938 (E_RNA) where: Base-Base interactions energy: -299.298 where: short stacking energy: -261.438 Base-Backbone interact. energy: -0.056 local terms energy: -428.406316 where: bonds (distance) C4'-P energy: -126.867 bonds (distance) P-C4' energy: -144.686 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -66.164 tors. eta vs tors. theta energy: 24.990 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: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2519.641462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.641462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.641462 (E_RNA) where: Base-Base interactions energy: -1567.663 where: short stacking energy: -933.718 Base-Backbone interact. energy: -3.478 local terms energy: -948.499998 where: bonds (distance) C4'-P energy: -182.628 bonds (distance) P-C4' energy: -197.813 flat angles C4'-P-C4' energy: -207.784 flat angles P-C4'-P energy: -133.845 tors. eta vs tors. theta energy: -226.430 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: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2235.257096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.257096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.257096 (E_RNA) where: Base-Base interactions energy: -1338.290 where: short stacking energy: -824.737 Base-Backbone interact. energy: -2.844 local terms energy: -894.122743 where: bonds (distance) C4'-P energy: -166.221 bonds (distance) P-C4' energy: -195.877 flat angles C4'-P-C4' energy: -209.233 flat angles P-C4'-P energy: -124.487 tors. eta vs tors. theta energy: -198.305 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: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2065.492951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.492951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.492951 (E_RNA) where: Base-Base interactions energy: -1235.494 where: short stacking energy: -805.040 Base-Backbone interact. energy: -0.120 local terms energy: -829.879501 where: bonds (distance) C4'-P energy: -162.710 bonds (distance) P-C4' energy: -176.731 flat angles C4'-P-C4' energy: -182.892 flat angles P-C4'-P energy: -124.846 tors. eta vs tors. theta energy: -182.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1888.902624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.902624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.902624 (E_RNA) where: Base-Base interactions energy: -1115.583 where: short stacking energy: -686.162 Base-Backbone interact. energy: 3.371 local terms energy: -776.690423 where: bonds (distance) C4'-P energy: -161.917 bonds (distance) P-C4' energy: -201.757 flat angles C4'-P-C4' energy: -174.482 flat angles P-C4'-P energy: -99.704 tors. eta vs tors. theta energy: -138.831 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: 122 Temperature: 1.100000 Total energy: -1592.423973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.423973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.423973 (E_RNA) where: Base-Base interactions energy: -911.918 where: short stacking energy: -587.054 Base-Backbone interact. energy: -4.253 local terms energy: -676.253174 where: bonds (distance) C4'-P energy: -157.516 bonds (distance) P-C4' energy: -153.556 flat angles C4'-P-C4' energy: -181.021 flat angles P-C4'-P energy: -73.725 tors. eta vs tors. theta energy: -110.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1205.128146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.128146 (E_RNA) where: Base-Base interactions energy: -606.630 where: short stacking energy: -469.635 Base-Backbone interact. energy: 0.780 local terms energy: -599.277555 where: bonds (distance) C4'-P energy: -131.214 bonds (distance) P-C4' energy: -161.067 flat angles C4'-P-C4' energy: -159.353 flat angles P-C4'-P energy: -89.874 tors. eta vs tors. theta energy: -57.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1040.534481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.534481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.534481 (E_RNA) where: Base-Base interactions energy: -496.423 where: short stacking energy: -369.069 Base-Backbone interact. energy: -3.239 local terms energy: -540.872230 where: bonds (distance) C4'-P energy: -150.303 bonds (distance) P-C4' energy: -157.112 flat angles C4'-P-C4' energy: -142.268 flat angles P-C4'-P energy: -66.347 tors. eta vs tors. theta energy: -24.843 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: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -931.322253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.322253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.322253 (E_RNA) where: Base-Base interactions energy: -403.422 where: short stacking energy: -355.364 Base-Backbone interact. energy: -1.779 local terms energy: -526.121341 where: bonds (distance) C4'-P energy: -142.066 bonds (distance) P-C4' energy: -161.892 flat angles C4'-P-C4' energy: -143.514 flat angles P-C4'-P energy: -83.120 tors. eta vs tors. theta energy: 4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -844.303509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.303509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.303509 (E_RNA) where: Base-Base interactions energy: -371.707 where: short stacking energy: -319.966 Base-Backbone interact. energy: 2.823 local terms energy: -475.419396 where: bonds (distance) C4'-P energy: -119.810 bonds (distance) P-C4' energy: -157.921 flat angles C4'-P-C4' energy: -143.500 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: 7.292 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: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -739.660888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.660888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.660888 (E_RNA) where: Base-Base interactions energy: -255.088 where: short stacking energy: -240.204 Base-Backbone interact. energy: -0.814 local terms energy: -483.759145 where: bonds (distance) C4'-P energy: -145.473 bonds (distance) P-C4' energy: -159.333 flat angles C4'-P-C4' energy: -122.490 flat angles P-C4'-P energy: -71.034 tors. eta vs tors. theta energy: 14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2485.585520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.585520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.585520 (E_RNA) where: Base-Base interactions energy: -1550.191 where: short stacking energy: -897.146 Base-Backbone interact. energy: -3.731 local terms energy: -931.664070 where: bonds (distance) C4'-P energy: -174.070 bonds (distance) P-C4' energy: -185.691 flat angles C4'-P-C4' energy: -209.679 flat angles P-C4'-P energy: -146.761 tors. eta vs tors. theta energy: -215.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2181.938628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.938628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.938628 (E_RNA) where: Base-Base interactions energy: -1306.296 where: short stacking energy: -806.735 Base-Backbone interact. energy: -0.880 local terms energy: -874.762434 where: bonds (distance) C4'-P energy: -166.244 bonds (distance) P-C4' energy: -182.361 flat angles C4'-P-C4' energy: -190.115 flat angles P-C4'-P energy: -133.169 tors. eta vs tors. theta energy: -202.874 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: 123 Temperature: 1.000000 Total energy: -2058.874453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.874453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.874453 (E_RNA) where: Base-Base interactions energy: -1210.465 where: short stacking energy: -791.975 Base-Backbone interact. energy: -0.728 local terms energy: -847.681196 where: bonds (distance) C4'-P energy: -176.224 bonds (distance) P-C4' energy: -177.099 flat angles C4'-P-C4' energy: -195.354 flat angles P-C4'-P energy: -123.303 tors. eta vs tors. theta energy: -175.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1863.934244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.934244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.934244 (E_RNA) where: Base-Base interactions energy: -1129.005 where: short stacking energy: -702.379 Base-Backbone interact. energy: -2.416 local terms energy: -732.512848 where: bonds (distance) C4'-P energy: -163.939 bonds (distance) P-C4' energy: -155.572 flat angles C4'-P-C4' energy: -167.328 flat angles P-C4'-P energy: -94.813 tors. eta vs tors. theta energy: -150.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1541.251889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.251889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.251889 (E_RNA) where: Base-Base interactions energy: -847.107 where: short stacking energy: -577.893 Base-Backbone interact. energy: 1.004 local terms energy: -695.148758 where: bonds (distance) C4'-P energy: -168.965 bonds (distance) P-C4' energy: -171.778 flat angles C4'-P-C4' energy: -174.249 flat angles P-C4'-P energy: -88.893 tors. eta vs tors. theta energy: -91.263 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: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1239.802101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.802101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.802101 (E_RNA) where: Base-Base interactions energy: -614.468 where: short stacking energy: -450.226 Base-Backbone interact. energy: 3.024 local terms energy: -628.358025 where: bonds (distance) C4'-P energy: -175.214 bonds (distance) P-C4' energy: -179.818 flat angles C4'-P-C4' energy: -139.643 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -35.682 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: 123 Temperature: 1.200000 Total energy: -1037.512023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.512023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.512023 (E_RNA) where: Base-Base interactions energy: -466.011 where: short stacking energy: -384.725 Base-Backbone interact. energy: -2.153 local terms energy: -569.348401 where: bonds (distance) C4'-P energy: -156.189 bonds (distance) P-C4' energy: -164.398 flat angles C4'-P-C4' energy: -149.795 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: -28.239 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: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -944.838142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.838142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.838142 (E_RNA) where: Base-Base interactions energy: -384.788 where: short stacking energy: -308.094 Base-Backbone interact. energy: 5.806 local terms energy: -565.856669 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -171.780 flat angles C4'-P-C4' energy: -149.303 flat angles P-C4'-P energy: -92.478 tors. eta vs tors. theta energy: 1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -869.848383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.848383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.848383 (E_RNA) where: Base-Base interactions energy: -324.259 where: short stacking energy: -288.795 Base-Backbone interact. energy: -0.509 local terms energy: -545.080664 where: bonds (distance) C4'-P energy: -155.889 bonds (distance) P-C4' energy: -164.283 flat angles C4'-P-C4' energy: -145.753 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -782.005383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.005383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.005383 (E_RNA) where: Base-Base interactions energy: -322.079 where: short stacking energy: -289.815 Base-Backbone interact. energy: -1.538 local terms energy: -458.389103 where: bonds (distance) C4'-P energy: -131.784 bonds (distance) P-C4' energy: -139.155 flat angles C4'-P-C4' energy: -124.983 flat angles P-C4'-P energy: -68.512 tors. eta vs tors. theta energy: 6.045 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: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2517.640008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.640008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.640008 (E_RNA) where: Base-Base interactions energy: -1580.936 where: short stacking energy: -943.163 Base-Backbone interact. energy: -6.425 local terms energy: -930.279525 where: bonds (distance) C4'-P energy: -183.742 bonds (distance) P-C4' energy: -182.137 flat angles C4'-P-C4' energy: -195.153 flat angles P-C4'-P energy: -130.173 tors. eta vs tors. theta energy: -239.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2236.936420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.936420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.936420 (E_RNA) where: Base-Base interactions energy: -1350.751 where: short stacking energy: -887.351 Base-Backbone interact. energy: -3.416 local terms energy: -882.769836 where: bonds (distance) C4'-P energy: -172.877 bonds (distance) P-C4' energy: -189.337 flat angles C4'-P-C4' energy: -188.702 flat angles P-C4'-P energy: -133.940 tors. eta vs tors. theta energy: -197.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2045.731041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.731041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.731041 (E_RNA) where: Base-Base interactions energy: -1228.300 where: short stacking energy: -821.093 Base-Backbone interact. energy: -2.615 local terms energy: -814.815930 where: bonds (distance) C4'-P energy: -173.212 bonds (distance) P-C4' energy: -177.439 flat angles C4'-P-C4' energy: -191.642 flat angles P-C4'-P energy: -99.696 tors. eta vs tors. theta energy: -172.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1926.020199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.020199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.020199 (E_RNA) where: Base-Base interactions energy: -1170.599 where: short stacking energy: -724.923 Base-Backbone interact. energy: 0.737 local terms energy: -756.157486 where: bonds (distance) C4'-P energy: -162.090 bonds (distance) P-C4' energy: -162.875 flat angles C4'-P-C4' energy: -167.196 flat angles P-C4'-P energy: -122.138 tors. eta vs tors. theta energy: -141.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1577.564595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.564595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.564595 (E_RNA) where: Base-Base interactions energy: -881.199 where: short stacking energy: -593.746 Base-Backbone interact. energy: 0.168 local terms energy: -696.533865 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -156.052 flat angles C4'-P-C4' energy: -172.596 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -128.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1305.625608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.625608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.625608 (E_RNA) where: Base-Base interactions energy: -664.872 where: short stacking energy: -505.615 Base-Backbone interact. energy: -0.679 local terms energy: -640.074527 where: bonds (distance) C4'-P energy: -146.916 bonds (distance) P-C4' energy: -156.130 flat angles C4'-P-C4' energy: -165.045 flat angles P-C4'-P energy: -88.948 tors. eta vs tors. theta energy: -83.035 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: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1037.119570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.119570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.119570 (E_RNA) where: Base-Base interactions energy: -473.852 where: short stacking energy: -349.159 Base-Backbone interact. energy: -2.451 local terms energy: -560.815933 where: bonds (distance) C4'-P energy: -136.270 bonds (distance) P-C4' energy: -173.018 flat angles C4'-P-C4' energy: -144.768 flat angles P-C4'-P energy: -80.830 tors. eta vs tors. theta energy: -25.930 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: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -913.926525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.926525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.926525 (E_RNA) where: Base-Base interactions energy: -396.147 where: short stacking energy: -370.636 Base-Backbone interact. energy: 5.578 local terms energy: -523.357409 where: bonds (distance) C4'-P energy: -146.162 bonds (distance) P-C4' energy: -136.273 flat angles C4'-P-C4' energy: -142.459 flat angles P-C4'-P energy: -79.590 tors. eta vs tors. theta energy: -18.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -816.454161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.454161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.454161 (E_RNA) where: Base-Base interactions energy: -316.488 where: short stacking energy: -281.710 Base-Backbone interact. energy: -2.747 local terms energy: -497.219324 where: bonds (distance) C4'-P energy: -146.648 bonds (distance) P-C4' energy: -159.835 flat angles C4'-P-C4' energy: -117.622 flat angles P-C4'-P energy: -76.858 tors. eta vs tors. theta energy: 3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -759.429283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.429283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.429283 (E_RNA) where: Base-Base interactions energy: -306.922 where: short stacking energy: -264.238 Base-Backbone interact. energy: 5.575 local terms energy: -458.082490 where: bonds (distance) C4'-P energy: -131.600 bonds (distance) P-C4' energy: -142.758 flat angles C4'-P-C4' energy: -138.035 flat angles P-C4'-P energy: -58.146 tors. eta vs tors. theta energy: 12.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2487.673171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.673171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.673171 (E_RNA) where: Base-Base interactions energy: -1590.974 where: short stacking energy: -946.610 Base-Backbone interact. energy: -4.621 local terms energy: -892.078114 where: bonds (distance) C4'-P energy: -169.770 bonds (distance) P-C4' energy: -162.717 flat angles C4'-P-C4' energy: -211.152 flat angles P-C4'-P energy: -131.204 tors. eta vs tors. theta energy: -217.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2218.219270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.219270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.219270 (E_RNA) where: Base-Base interactions energy: -1309.177 where: short stacking energy: -811.999 Base-Backbone interact. energy: -1.854 local terms energy: -907.188021 where: bonds (distance) C4'-P energy: -184.343 bonds (distance) P-C4' energy: -187.828 flat angles C4'-P-C4' energy: -209.394 flat angles P-C4'-P energy: -130.688 tors. eta vs tors. theta energy: -194.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2035.345271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.345271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.345271 (E_RNA) where: Base-Base interactions energy: -1242.822 where: short stacking energy: -813.875 Base-Backbone interact. energy: 2.188 local terms energy: -794.710491 where: bonds (distance) C4'-P energy: -168.274 bonds (distance) P-C4' energy: -174.564 flat angles C4'-P-C4' energy: -163.376 flat angles P-C4'-P energy: -107.614 tors. eta vs tors. theta energy: -180.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2005.972229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.972229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.972229 (E_RNA) where: Base-Base interactions energy: -1216.886 where: short stacking energy: -790.583 Base-Backbone interact. energy: 0.838 local terms energy: -789.923678 where: bonds (distance) C4'-P energy: -142.508 bonds (distance) P-C4' energy: -173.238 flat angles C4'-P-C4' energy: -197.320 flat angles P-C4'-P energy: -108.103 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: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1554.405925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.405925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.405925 (E_RNA) where: Base-Base interactions energy: -876.003 where: short stacking energy: -604.824 Base-Backbone interact. energy: -2.751 local terms energy: -675.651106 where: bonds (distance) C4'-P energy: -149.707 bonds (distance) P-C4' energy: -175.904 flat angles C4'-P-C4' energy: -156.200 flat angles P-C4'-P energy: -84.846 tors. eta vs tors. theta energy: -108.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1279.334501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.334501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.334501 (E_RNA) where: Base-Base interactions energy: -635.420 where: short stacking energy: -520.671 Base-Backbone interact. energy: 0.026 local terms energy: -643.939701 where: bonds (distance) C4'-P energy: -136.986 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -179.589 flat angles P-C4'-P energy: -95.717 tors. eta vs tors. theta energy: -79.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1126.585716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.585716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.585716 (E_RNA) where: Base-Base interactions energy: -543.422 where: short stacking energy: -422.438 Base-Backbone interact. energy: 2.688 local terms energy: -585.850850 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -159.004 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -94.013 tors. eta vs tors. theta energy: -35.797 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: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -904.446649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.446649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.446649 (E_RNA) where: Base-Base interactions energy: -371.596 where: short stacking energy: -315.682 Base-Backbone interact. energy: 2.025 local terms energy: -534.876221 where: bonds (distance) C4'-P energy: -148.435 bonds (distance) P-C4' energy: -152.957 flat angles C4'-P-C4' energy: -134.792 flat angles P-C4'-P energy: -97.354 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -821.495060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.495060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.495060 (E_RNA) where: Base-Base interactions energy: -327.064 where: short stacking energy: -270.208 Base-Backbone interact. energy: 0.196 local terms energy: -494.627058 where: bonds (distance) C4'-P energy: -169.619 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -122.517 flat angles P-C4'-P energy: -82.491 tors. eta vs tors. theta energy: 20.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -782.945910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.945910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.945910 (E_RNA) where: Base-Base interactions energy: -295.220 where: short stacking energy: -255.646 Base-Backbone interact. energy: 2.248 local terms energy: -489.974201 where: bonds (distance) C4'-P energy: -149.877 bonds (distance) P-C4' energy: -151.517 flat angles C4'-P-C4' energy: -125.562 flat angles P-C4'-P energy: -88.079 tors. eta vs tors. theta energy: 25.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2447.871787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.871787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.871787 (E_RNA) where: Base-Base interactions energy: -1521.144 where: short stacking energy: -890.852 Base-Backbone interact. energy: -2.347 local terms energy: -924.381076 where: bonds (distance) C4'-P energy: -178.060 bonds (distance) P-C4' energy: -181.329 flat angles C4'-P-C4' energy: -210.367 flat angles P-C4'-P energy: -132.296 tors. eta vs tors. theta energy: -222.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2199.411487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.411487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.411487 (E_RNA) where: Base-Base interactions energy: -1294.972 where: short stacking energy: -860.183 Base-Backbone interact. energy: -1.089 local terms energy: -903.350225 where: bonds (distance) C4'-P energy: -181.085 bonds (distance) P-C4' energy: -175.995 flat angles C4'-P-C4' energy: -193.872 flat angles P-C4'-P energy: -139.449 tors. eta vs tors. theta energy: -212.950 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: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2050.137109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.137109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.137109 (E_RNA) where: Base-Base interactions energy: -1244.935 where: short stacking energy: -765.631 Base-Backbone interact. energy: 1.511 local terms energy: -806.713202 where: bonds (distance) C4'-P energy: -176.261 bonds (distance) P-C4' energy: -167.216 flat angles C4'-P-C4' energy: -179.253 flat angles P-C4'-P energy: -107.795 tors. eta vs tors. theta energy: -176.188 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1942.531664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.531664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.531664 (E_RNA) where: Base-Base interactions energy: -1156.081 where: short stacking energy: -734.232 Base-Backbone interact. energy: -5.079 local terms energy: -781.372179 where: bonds (distance) C4'-P energy: -153.188 bonds (distance) P-C4' energy: -184.655 flat angles C4'-P-C4' energy: -184.398 flat angles P-C4'-P energy: -106.712 tors. eta vs tors. theta energy: -152.419 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: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1576.536962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.536962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.536962 (E_RNA) where: Base-Base interactions energy: -858.159 where: short stacking energy: -574.178 Base-Backbone interact. energy: 1.811 local terms energy: -720.189625 where: bonds (distance) C4'-P energy: -164.369 bonds (distance) P-C4' energy: -173.264 flat angles C4'-P-C4' energy: -157.940 flat angles P-C4'-P energy: -120.176 tors. eta vs tors. theta energy: -104.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1259.610361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.610361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.610361 (E_RNA) where: Base-Base interactions energy: -628.137 where: short stacking energy: -505.937 Base-Backbone interact. energy: -2.980 local terms energy: -628.492871 where: bonds (distance) C4'-P energy: -130.493 bonds (distance) P-C4' energy: -170.901 flat angles C4'-P-C4' energy: -161.933 flat angles P-C4'-P energy: -102.215 tors. eta vs tors. theta energy: -62.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1095.451810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.451810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.451810 (E_RNA) where: Base-Base interactions energy: -519.317 where: short stacking energy: -395.879 Base-Backbone interact. energy: -1.150 local terms energy: -574.984775 where: bonds (distance) C4'-P energy: -159.908 bonds (distance) P-C4' energy: -154.988 flat angles C4'-P-C4' energy: -151.866 flat angles P-C4'-P energy: -82.975 tors. eta vs tors. theta energy: -25.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -927.123150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.123150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.123150 (E_RNA) where: Base-Base interactions energy: -417.246 where: short stacking energy: -335.241 Base-Backbone interact. energy: -1.604 local terms energy: -508.272780 where: bonds (distance) C4'-P energy: -138.353 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -140.715 flat angles P-C4'-P energy: -81.082 tors. eta vs tors. theta energy: -7.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -810.606906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.606906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.606906 (E_RNA) where: Base-Base interactions energy: -314.573 where: short stacking energy: -296.828 Base-Backbone interact. energy: 12.859 local terms energy: -508.892331 where: bonds (distance) C4'-P energy: -131.922 bonds (distance) P-C4' energy: -144.957 flat angles C4'-P-C4' energy: -163.861 flat angles P-C4'-P energy: -86.274 tors. eta vs tors. theta energy: 18.122 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: 126 Temperature: 1.350000 Total energy: -760.988658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.988658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.988658 (E_RNA) where: Base-Base interactions energy: -323.887 where: short stacking energy: -262.663 Base-Backbone interact. energy: 0.781 local terms energy: -437.882971 where: bonds (distance) C4'-P energy: -129.426 bonds (distance) P-C4' energy: -141.137 flat angles C4'-P-C4' energy: -105.678 flat angles P-C4'-P energy: -79.055 tors. eta vs tors. theta energy: 17.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2451.508364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.508364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.508364 (E_RNA) where: Base-Base interactions energy: -1519.323 where: short stacking energy: -929.507 Base-Backbone interact. energy: -4.992 local terms energy: -927.193654 where: bonds (distance) C4'-P energy: -174.159 bonds (distance) P-C4' energy: -171.740 flat angles C4'-P-C4' energy: -199.803 flat angles P-C4'-P energy: -153.831 tors. eta vs tors. theta energy: -227.661 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: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2293.952071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.952071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.952071 (E_RNA) where: Base-Base interactions energy: -1384.493 where: short stacking energy: -917.090 Base-Backbone interact. energy: -2.554 local terms energy: -906.904547 where: bonds (distance) C4'-P energy: -166.443 bonds (distance) P-C4' energy: -180.331 flat angles C4'-P-C4' energy: -204.066 flat angles P-C4'-P energy: -121.029 tors. eta vs tors. theta energy: -235.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2058.138642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.138642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.138642 (E_RNA) where: Base-Base interactions energy: -1267.507 where: short stacking energy: -767.410 Base-Backbone interact. energy: -0.673 local terms energy: -789.958499 where: bonds (distance) C4'-P energy: -148.968 bonds (distance) P-C4' energy: -171.707 flat angles C4'-P-C4' energy: -176.156 flat angles P-C4'-P energy: -113.373 tors. eta vs tors. theta energy: -179.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1933.448046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.448046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.448046 (E_RNA) where: Base-Base interactions energy: -1151.606 where: short stacking energy: -693.900 Base-Backbone interact. energy: -1.213 local terms energy: -780.629485 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -169.671 flat angles C4'-P-C4' energy: -188.260 flat angles P-C4'-P energy: -116.229 tors. eta vs tors. theta energy: -160.436 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: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1590.549523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.549523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.549523 (E_RNA) where: Base-Base interactions energy: -859.646 where: short stacking energy: -598.219 Base-Backbone interact. energy: 0.255 local terms energy: -731.158375 where: bonds (distance) C4'-P energy: -173.466 bonds (distance) P-C4' energy: -186.570 flat angles C4'-P-C4' energy: -149.489 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -114.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1218.082850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.082850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.082850 (E_RNA) where: Base-Base interactions energy: -617.104 where: short stacking energy: -489.155 Base-Backbone interact. energy: 1.615 local terms energy: -602.593394 where: bonds (distance) C4'-P energy: -134.721 bonds (distance) P-C4' energy: -168.383 flat angles C4'-P-C4' energy: -144.671 flat angles P-C4'-P energy: -88.814 tors. eta vs tors. theta energy: -66.005 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: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1165.223240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.223240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.223240 (E_RNA) where: Base-Base interactions energy: -563.134 where: short stacking energy: -415.082 Base-Backbone interact. energy: 0.859 local terms energy: -602.948293 where: bonds (distance) C4'-P energy: -158.319 bonds (distance) P-C4' energy: -156.934 flat angles C4'-P-C4' energy: -147.807 flat angles P-C4'-P energy: -107.195 tors. eta vs tors. theta energy: -32.692 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: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -947.185439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.185439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.185439 (E_RNA) where: Base-Base interactions energy: -399.733 where: short stacking energy: -348.531 Base-Backbone interact. energy: -1.904 local terms energy: -545.549289 where: bonds (distance) C4'-P energy: -146.754 bonds (distance) P-C4' energy: -175.278 flat angles C4'-P-C4' energy: -125.131 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -809.908661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.908661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.908661 (E_RNA) where: Base-Base interactions energy: -312.454 where: short stacking energy: -285.094 Base-Backbone interact. energy: -1.538 local terms energy: -495.916534 where: bonds (distance) C4'-P energy: -162.461 bonds (distance) P-C4' energy: -156.981 flat angles C4'-P-C4' energy: -117.369 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: 18.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -768.847261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.847261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.847261 (E_RNA) where: Base-Base interactions energy: -347.034 where: short stacking energy: -309.078 Base-Backbone interact. energy: 1.715 local terms energy: -423.528193 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -154.050 flat angles C4'-P-C4' energy: -117.122 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: 22.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2483.417376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.417376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.417376 (E_RNA) where: Base-Base interactions energy: -1547.036 where: short stacking energy: -956.279 Base-Backbone interact. energy: -2.611 local terms energy: -933.770313 where: bonds (distance) C4'-P energy: -181.591 bonds (distance) P-C4' energy: -178.477 flat angles C4'-P-C4' energy: -218.613 flat angles P-C4'-P energy: -121.478 tors. eta vs tors. theta energy: -233.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2210.005870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.005870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.005870 (E_RNA) where: Base-Base interactions energy: -1317.823 where: short stacking energy: -873.872 Base-Backbone interact. energy: 0.598 local terms energy: -892.781215 where: bonds (distance) C4'-P energy: -181.630 bonds (distance) P-C4' energy: -180.081 flat angles C4'-P-C4' energy: -199.229 flat angles P-C4'-P energy: -124.121 tors. eta vs tors. theta energy: -207.720 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: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2032.481997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.481997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.481997 (E_RNA) where: Base-Base interactions energy: -1236.301 where: short stacking energy: -758.112 Base-Backbone interact. energy: -0.929 local terms energy: -795.251625 where: bonds (distance) C4'-P energy: -164.672 bonds (distance) P-C4' energy: -171.257 flat angles C4'-P-C4' energy: -182.338 flat angles P-C4'-P energy: -106.972 tors. eta vs tors. theta energy: -170.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1888.590884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.590884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.590884 (E_RNA) where: Base-Base interactions energy: -1114.800 where: short stacking energy: -696.077 Base-Backbone interact. energy: 2.202 local terms energy: -775.992391 where: bonds (distance) C4'-P energy: -152.043 bonds (distance) P-C4' energy: -154.526 flat angles C4'-P-C4' energy: -195.133 flat angles P-C4'-P energy: -124.304 tors. eta vs tors. theta energy: -149.986 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: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1583.026618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.026618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.026618 (E_RNA) where: Base-Base interactions energy: -876.993 where: short stacking energy: -599.922 Base-Backbone interact. energy: 3.403 local terms energy: -709.436243 where: bonds (distance) C4'-P energy: -174.267 bonds (distance) P-C4' energy: -165.040 flat angles C4'-P-C4' energy: -153.342 flat angles P-C4'-P energy: -119.654 tors. eta vs tors. theta energy: -97.134 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1308.294103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.294103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.294103 (E_RNA) where: Base-Base interactions energy: -689.382 where: short stacking energy: -478.514 Base-Backbone interact. energy: 2.282 local terms energy: -621.194388 where: bonds (distance) C4'-P energy: -142.705 bonds (distance) P-C4' energy: -157.980 flat angles C4'-P-C4' energy: -167.989 flat angles P-C4'-P energy: -82.528 tors. eta vs tors. theta energy: -69.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1098.274017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.274017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.274017 (E_RNA) where: Base-Base interactions energy: -537.525 where: short stacking energy: -413.669 Base-Backbone interact. energy: 0.260 local terms energy: -561.008886 where: bonds (distance) C4'-P energy: -153.378 bonds (distance) P-C4' energy: -166.889 flat angles C4'-P-C4' energy: -146.400 flat angles P-C4'-P energy: -71.277 tors. eta vs tors. theta energy: -23.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -979.205408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.205408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.205408 (E_RNA) where: Base-Base interactions energy: -414.411 where: short stacking energy: -346.047 Base-Backbone interact. energy: 2.656 local terms energy: -567.451016 where: bonds (distance) C4'-P energy: -158.273 bonds (distance) P-C4' energy: -171.587 flat angles C4'-P-C4' energy: -139.965 flat angles P-C4'-P energy: -78.634 tors. eta vs tors. theta energy: -18.992 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -849.580136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.580136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.580136 (E_RNA) where: Base-Base interactions energy: -373.765 where: short stacking energy: -316.529 Base-Backbone interact. energy: 2.264 local terms energy: -478.079421 where: bonds (distance) C4'-P energy: -131.705 bonds (distance) P-C4' energy: -162.592 flat angles C4'-P-C4' energy: -112.970 flat angles P-C4'-P energy: -49.654 tors. eta vs tors. theta energy: -21.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -795.383276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.383276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.383276 (E_RNA) where: Base-Base interactions energy: -329.318 where: short stacking energy: -272.733 Base-Backbone interact. energy: -2.198 local terms energy: -463.866445 where: bonds (distance) C4'-P energy: -158.086 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -109.559 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: 12.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2481.961508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.961508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.961508 (E_RNA) where: Base-Base interactions energy: -1511.273 where: short stacking energy: -914.314 Base-Backbone interact. energy: 0.127 local terms energy: -970.814714 where: bonds (distance) C4'-P energy: -190.098 bonds (distance) P-C4' energy: -199.334 flat angles C4'-P-C4' energy: -214.364 flat angles P-C4'-P energy: -135.968 tors. eta vs tors. theta energy: -231.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2205.125684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.125684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.125684 (E_RNA) where: Base-Base interactions energy: -1333.382 where: short stacking energy: -875.047 Base-Backbone interact. energy: -2.991 local terms energy: -868.752782 where: bonds (distance) C4'-P energy: -162.336 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -206.242 flat angles P-C4'-P energy: -120.733 tors. eta vs tors. theta energy: -210.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2108.394864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.394864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.394864 (E_RNA) where: Base-Base interactions energy: -1283.148 where: short stacking energy: -768.991 Base-Backbone interact. energy: -6.871 local terms energy: -818.376473 where: bonds (distance) C4'-P energy: -159.834 bonds (distance) P-C4' energy: -175.156 flat angles C4'-P-C4' energy: -184.558 flat angles P-C4'-P energy: -127.626 tors. eta vs tors. theta energy: -171.202 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: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1920.346457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.346457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.346457 (E_RNA) where: Base-Base interactions energy: -1150.416 where: short stacking energy: -707.116 Base-Backbone interact. energy: -3.297 local terms energy: -766.633282 where: bonds (distance) C4'-P energy: -148.757 bonds (distance) P-C4' energy: -164.918 flat angles C4'-P-C4' energy: -187.874 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -161.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1575.994183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.994183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.994183 (E_RNA) where: Base-Base interactions energy: -829.718 where: short stacking energy: -584.467 Base-Backbone interact. energy: -2.889 local terms energy: -743.387217 where: bonds (distance) C4'-P energy: -165.436 bonds (distance) P-C4' energy: -185.625 flat angles C4'-P-C4' energy: -189.692 flat angles P-C4'-P energy: -100.472 tors. eta vs tors. theta energy: -102.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1328.437127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.437127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.437127 (E_RNA) where: Base-Base interactions energy: -694.132 where: short stacking energy: -517.093 Base-Backbone interact. energy: -1.115 local terms energy: -633.190288 where: bonds (distance) C4'-P energy: -140.753 bonds (distance) P-C4' energy: -168.389 flat angles C4'-P-C4' energy: -148.764 flat angles P-C4'-P energy: -93.804 tors. eta vs tors. theta energy: -81.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1044.201320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.201320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.201320 (E_RNA) where: Base-Base interactions energy: -440.593 where: short stacking energy: -387.695 Base-Backbone interact. energy: 2.902 local terms energy: -606.510774 where: bonds (distance) C4'-P energy: -125.424 bonds (distance) P-C4' energy: -181.280 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -93.377 tors. eta vs tors. theta energy: -37.304 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: 129 Temperature: 1.250000 Total energy: -975.369951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.369951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.369951 (E_RNA) where: Base-Base interactions energy: -442.744 where: short stacking energy: -363.810 Base-Backbone interact. energy: 2.839 local terms energy: -535.464474 where: bonds (distance) C4'-P energy: -147.469 bonds (distance) P-C4' energy: -148.347 flat angles C4'-P-C4' energy: -128.049 flat angles P-C4'-P energy: -87.901 tors. eta vs tors. theta energy: -23.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -903.908858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.908858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.908858 (E_RNA) where: Base-Base interactions energy: -378.409 where: short stacking energy: -344.235 Base-Backbone interact. energy: 0.412 local terms energy: -525.911482 where: bonds (distance) C4'-P energy: -124.788 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -154.511 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -11.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -755.256416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.256416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.256416 (E_RNA) where: Base-Base interactions energy: -287.726 where: short stacking energy: -238.817 Base-Backbone interact. energy: -2.385 local terms energy: -465.144906 where: bonds (distance) C4'-P energy: -142.424 bonds (distance) P-C4' energy: -137.501 flat angles C4'-P-C4' energy: -114.864 flat angles P-C4'-P energy: -85.708 tors. eta vs tors. theta energy: 15.352 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: 130 Temperature: 0.900000 Total energy: -2451.489069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.489069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.489069 (E_RNA) where: Base-Base interactions energy: -1527.607 where: short stacking energy: -917.432 Base-Backbone interact. energy: -5.770 local terms energy: -918.112057 where: bonds (distance) C4'-P energy: -164.511 bonds (distance) P-C4' energy: -180.599 flat angles C4'-P-C4' energy: -210.239 flat angles P-C4'-P energy: -134.106 tors. eta vs tors. theta energy: -228.657 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: 130 Temperature: 0.950000 Total energy: -2240.035211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.035211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.035211 (E_RNA) where: Base-Base interactions energy: -1360.053 where: short stacking energy: -881.339 Base-Backbone interact. energy: 1.246 local terms energy: -881.228406 where: bonds (distance) C4'-P energy: -161.806 bonds (distance) P-C4' energy: -182.552 flat angles C4'-P-C4' energy: -190.938 flat angles P-C4'-P energy: -128.698 tors. eta vs tors. theta energy: -217.234 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2136.249490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.249490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.249490 (E_RNA) where: Base-Base interactions energy: -1329.406 where: short stacking energy: -796.166 Base-Backbone interact. energy: -3.546 local terms energy: -803.296602 where: bonds (distance) C4'-P energy: -153.300 bonds (distance) P-C4' energy: -170.680 flat angles C4'-P-C4' energy: -191.198 flat angles P-C4'-P energy: -112.094 tors. eta vs tors. theta energy: -176.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1934.960452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.960452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.960452 (E_RNA) where: Base-Base interactions energy: -1174.855 where: short stacking energy: -728.163 Base-Backbone interact. energy: 1.663 local terms energy: -761.768092 where: bonds (distance) C4'-P energy: -161.945 bonds (distance) P-C4' energy: -165.626 flat angles C4'-P-C4' energy: -154.970 flat angles P-C4'-P energy: -113.036 tors. eta vs tors. theta energy: -166.191 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: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1490.155939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.155939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.155939 (E_RNA) where: Base-Base interactions energy: -810.638 where: short stacking energy: -540.918 Base-Backbone interact. energy: -2.912 local terms energy: -676.606508 where: bonds (distance) C4'-P energy: -142.005 bonds (distance) P-C4' energy: -173.561 flat angles C4'-P-C4' energy: -166.928 flat angles P-C4'-P energy: -96.098 tors. eta vs tors. theta energy: -98.015 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: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1342.471555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.471555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.471555 (E_RNA) where: Base-Base interactions energy: -681.545 where: short stacking energy: -495.246 Base-Backbone interact. energy: 1.633 local terms energy: -662.559762 where: bonds (distance) C4'-P energy: -158.091 bonds (distance) P-C4' energy: -167.718 flat angles C4'-P-C4' energy: -160.186 flat angles P-C4'-P energy: -94.978 tors. eta vs tors. theta energy: -81.586 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: 7, replica: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1054.031112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.031112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.031112 (E_RNA) where: Base-Base interactions energy: -474.213 where: short stacking energy: -405.051 Base-Backbone interact. energy: -2.064 local terms energy: -577.754291 where: bonds (distance) C4'-P energy: -146.991 bonds (distance) P-C4' energy: -165.216 flat angles C4'-P-C4' energy: -141.190 flat angles P-C4'-P energy: -84.406 tors. eta vs tors. theta energy: -39.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1019.961962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.961962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.961962 (E_RNA) where: Base-Base interactions energy: -452.474 where: short stacking energy: -350.802 Base-Backbone interact. energy: -2.877 local terms energy: -564.610675 where: bonds (distance) C4'-P energy: -152.451 bonds (distance) P-C4' energy: -155.821 flat angles C4'-P-C4' energy: -139.506 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -28.497 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: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -838.101486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.101486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.101486 (E_RNA) where: Base-Base interactions energy: -378.491 where: short stacking energy: -322.463 Base-Backbone interact. energy: 1.897 local terms energy: -461.507675 where: bonds (distance) C4'-P energy: -122.953 bonds (distance) P-C4' energy: -128.772 flat angles C4'-P-C4' energy: -119.400 flat angles P-C4'-P energy: -89.217 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -781.785243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.785243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.785243 (E_RNA) where: Base-Base interactions energy: -339.169 where: short stacking energy: -275.656 Base-Backbone interact. energy: 3.525 local terms energy: -446.141495 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -141.988 flat angles C4'-P-C4' energy: -120.417 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: 5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2489.639821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.639821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.639821 (E_RNA) where: Base-Base interactions energy: -1537.855 where: short stacking energy: -894.497 Base-Backbone interact. energy: -7.834 local terms energy: -943.951323 where: bonds (distance) C4'-P energy: -182.755 bonds (distance) P-C4' energy: -191.095 flat angles C4'-P-C4' energy: -207.812 flat angles P-C4'-P energy: -133.713 tors. eta vs tors. theta energy: -228.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2197.117447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.117447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.117447 (E_RNA) where: Base-Base interactions energy: -1345.795 where: short stacking energy: -839.579 Base-Backbone interact. energy: -0.185 local terms energy: -851.137506 where: bonds (distance) C4'-P energy: -167.124 bonds (distance) P-C4' energy: -186.641 flat angles C4'-P-C4' energy: -189.314 flat angles P-C4'-P energy: -119.022 tors. eta vs tors. theta energy: -189.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2057.792762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.792762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.792762 (E_RNA) where: Base-Base interactions energy: -1227.187 where: short stacking energy: -744.134 Base-Backbone interact. energy: 0.508 local terms energy: -831.113606 where: bonds (distance) C4'-P energy: -169.188 bonds (distance) P-C4' energy: -175.162 flat angles C4'-P-C4' energy: -186.750 flat angles P-C4'-P energy: -121.868 tors. eta vs tors. theta energy: -178.146 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: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1962.165857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.165857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.165857 (E_RNA) where: Base-Base interactions energy: -1186.473 where: short stacking energy: -733.490 Base-Backbone interact. energy: -0.145 local terms energy: -775.547098 where: bonds (distance) C4'-P energy: -151.465 bonds (distance) P-C4' energy: -175.876 flat angles C4'-P-C4' energy: -170.827 flat angles P-C4'-P energy: -118.462 tors. eta vs tors. theta energy: -158.918 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: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1628.486453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.486453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.486453 (E_RNA) where: Base-Base interactions energy: -906.701 where: short stacking energy: -632.813 Base-Backbone interact. energy: 2.340 local terms energy: -724.124866 where: bonds (distance) C4'-P energy: -156.037 bonds (distance) P-C4' energy: -158.210 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -103.985 tors. eta vs tors. theta energy: -123.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1346.786633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.786633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.786633 (E_RNA) where: Base-Base interactions energy: -678.703 where: short stacking energy: -485.441 Base-Backbone interact. energy: -4.249 local terms energy: -663.834080 where: bonds (distance) C4'-P energy: -157.637 bonds (distance) P-C4' energy: -167.266 flat angles C4'-P-C4' energy: -156.309 flat angles P-C4'-P energy: -100.778 tors. eta vs tors. theta energy: -81.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1039.346249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.346249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.346249 (E_RNA) where: Base-Base interactions energy: -464.686 where: short stacking energy: -389.009 Base-Backbone interact. energy: -1.296 local terms energy: -573.364485 where: bonds (distance) C4'-P energy: -147.882 bonds (distance) P-C4' energy: -171.745 flat angles C4'-P-C4' energy: -140.502 flat angles P-C4'-P energy: -90.969 tors. eta vs tors. theta energy: -22.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1021.465419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.465419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.465419 (E_RNA) where: Base-Base interactions energy: -500.724 where: short stacking energy: -394.156 Base-Backbone interact. energy: 0.578 local terms energy: -521.319597 where: bonds (distance) C4'-P energy: -141.595 bonds (distance) P-C4' energy: -136.857 flat angles C4'-P-C4' energy: -133.170 flat angles P-C4'-P energy: -83.966 tors. eta vs tors. theta energy: -25.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -801.419370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.419370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.419370 (E_RNA) where: Base-Base interactions energy: -310.651 where: short stacking energy: -281.096 Base-Backbone interact. energy: 2.057 local terms energy: -492.825588 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -154.539 flat angles C4'-P-C4' energy: -129.273 flat angles P-C4'-P energy: -88.842 tors. eta vs tors. theta energy: 17.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -793.723364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.723364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.723364 (E_RNA) where: Base-Base interactions energy: -300.958 where: short stacking energy: -273.880 Base-Backbone interact. energy: 7.996 local terms energy: -500.761242 where: bonds (distance) C4'-P energy: -145.306 bonds (distance) P-C4' energy: -160.194 flat angles C4'-P-C4' energy: -115.691 flat angles P-C4'-P energy: -98.243 tors. eta vs tors. theta energy: 18.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2476.304398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.304398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.304398 (E_RNA) where: Base-Base interactions energy: -1555.770 where: short stacking energy: -955.020 Base-Backbone interact. energy: -2.258 local terms energy: -918.276146 where: bonds (distance) C4'-P energy: -181.099 bonds (distance) P-C4' energy: -193.382 flat angles C4'-P-C4' energy: -193.009 flat angles P-C4'-P energy: -119.390 tors. eta vs tors. theta energy: -231.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2268.257278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.257278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.257278 (E_RNA) where: Base-Base interactions energy: -1366.741 where: short stacking energy: -880.683 Base-Backbone interact. energy: -0.220 local terms energy: -901.296117 where: bonds (distance) C4'-P energy: -166.431 bonds (distance) P-C4' energy: -177.872 flat angles C4'-P-C4' energy: -212.101 flat angles P-C4'-P energy: -117.104 tors. eta vs tors. theta energy: -227.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2089.263627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.263627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.263627 (E_RNA) where: Base-Base interactions energy: -1237.638 where: short stacking energy: -777.724 Base-Backbone interact. energy: -0.053 local terms energy: -851.572609 where: bonds (distance) C4'-P energy: -173.975 bonds (distance) P-C4' energy: -181.143 flat angles C4'-P-C4' energy: -187.494 flat angles P-C4'-P energy: -120.876 tors. eta vs tors. theta energy: -188.084 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1943.252579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.252579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.252579 (E_RNA) where: Base-Base interactions energy: -1186.958 where: short stacking energy: -734.016 Base-Backbone interact. energy: -1.992 local terms energy: -754.302824 where: bonds (distance) C4'-P energy: -157.252 bonds (distance) P-C4' energy: -169.559 flat angles C4'-P-C4' energy: -163.852 flat angles P-C4'-P energy: -107.773 tors. eta vs tors. theta energy: -155.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1564.493226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.493226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.493226 (E_RNA) where: Base-Base interactions energy: -897.185 where: short stacking energy: -596.091 Base-Backbone interact. energy: 0.130 local terms energy: -667.438095 where: bonds (distance) C4'-P energy: -155.837 bonds (distance) P-C4' energy: -161.156 flat angles C4'-P-C4' energy: -161.522 flat angles P-C4'-P energy: -97.317 tors. eta vs tors. theta energy: -91.606 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: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1365.748961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.748961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.748961 (E_RNA) where: Base-Base interactions energy: -722.079 where: short stacking energy: -531.991 Base-Backbone interact. energy: -2.392 local terms energy: -641.278261 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -166.276 flat angles C4'-P-C4' energy: -174.906 flat angles P-C4'-P energy: -96.069 tors. eta vs tors. theta energy: -73.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1097.154697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.154697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.154697 (E_RNA) where: Base-Base interactions energy: -496.468 where: short stacking energy: -394.693 Base-Backbone interact. energy: 0.030 local terms energy: -600.716250 where: bonds (distance) C4'-P energy: -140.963 bonds (distance) P-C4' energy: -175.800 flat angles C4'-P-C4' energy: -163.878 flat angles P-C4'-P energy: -76.379 tors. eta vs tors. theta energy: -43.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1027.792691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.792691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.792691 (E_RNA) where: Base-Base interactions energy: -486.346 where: short stacking energy: -382.489 Base-Backbone interact. energy: -1.588 local terms energy: -539.858555 where: bonds (distance) C4'-P energy: -135.705 bonds (distance) P-C4' energy: -148.462 flat angles C4'-P-C4' energy: -157.692 flat angles P-C4'-P energy: -86.551 tors. eta vs tors. theta energy: -11.449 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: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -843.175526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.175526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.175526 (E_RNA) where: Base-Base interactions energy: -339.303 where: short stacking energy: -309.625 Base-Backbone interact. energy: -2.519 local terms energy: -501.352696 where: bonds (distance) C4'-P energy: -122.494 bonds (distance) P-C4' energy: -173.468 flat angles C4'-P-C4' energy: -135.011 flat angles P-C4'-P energy: -68.443 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -740.240453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.240453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.240453 (E_RNA) where: Base-Base interactions energy: -298.081 where: short stacking energy: -251.744 Base-Backbone interact. energy: 0.999 local terms energy: -443.157531 where: bonds (distance) C4'-P energy: -110.320 bonds (distance) P-C4' energy: -166.358 flat angles C4'-P-C4' energy: -113.629 flat angles P-C4'-P energy: -61.788 tors. eta vs tors. theta energy: 8.938 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: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2474.816494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.816494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.816494 (E_RNA) where: Base-Base interactions energy: -1539.830 where: short stacking energy: -966.385 Base-Backbone interact. energy: -3.261 local terms energy: -931.726186 where: bonds (distance) C4'-P energy: -170.844 bonds (distance) P-C4' energy: -179.936 flat angles C4'-P-C4' energy: -207.011 flat angles P-C4'-P energy: -132.720 tors. eta vs tors. theta energy: -241.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2249.478795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.478795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.478795 (E_RNA) where: Base-Base interactions energy: -1321.490 where: short stacking energy: -840.325 Base-Backbone interact. energy: -3.164 local terms energy: -924.825318 where: bonds (distance) C4'-P energy: -181.650 bonds (distance) P-C4' energy: -202.510 flat angles C4'-P-C4' energy: -203.434 flat angles P-C4'-P energy: -129.896 tors. eta vs tors. theta energy: -207.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2049.735025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.735025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.735025 (E_RNA) where: Base-Base interactions energy: -1222.351 where: short stacking energy: -762.579 Base-Backbone interact. energy: -0.474 local terms energy: -826.910078 where: bonds (distance) C4'-P energy: -171.250 bonds (distance) P-C4' energy: -184.979 flat angles C4'-P-C4' energy: -194.287 flat angles P-C4'-P energy: -127.081 tors. eta vs tors. theta energy: -149.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1992.859000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.859000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.859000 (E_RNA) where: Base-Base interactions energy: -1197.598 where: short stacking energy: -737.947 Base-Backbone interact. energy: -0.152 local terms energy: -795.109088 where: bonds (distance) C4'-P energy: -167.507 bonds (distance) P-C4' energy: -170.286 flat angles C4'-P-C4' energy: -174.704 flat angles P-C4'-P energy: -113.149 tors. eta vs tors. theta energy: -169.462 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: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1602.774566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.774566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.774566 (E_RNA) where: Base-Base interactions energy: -934.744 where: short stacking energy: -619.652 Base-Backbone interact. energy: -1.616 local terms energy: -666.415321 where: bonds (distance) C4'-P energy: -135.480 bonds (distance) P-C4' energy: -167.348 flat angles C4'-P-C4' energy: -166.716 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -97.769 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: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1342.082435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.082435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.082435 (E_RNA) where: Base-Base interactions energy: -717.356 where: short stacking energy: -514.341 Base-Backbone interact. energy: -4.468 local terms energy: -620.258177 where: bonds (distance) C4'-P energy: -157.266 bonds (distance) P-C4' energy: -171.829 flat angles C4'-P-C4' energy: -147.755 flat angles P-C4'-P energy: -81.551 tors. eta vs tors. theta energy: -61.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1067.590248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.590248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.590248 (E_RNA) where: Base-Base interactions energy: -500.062 where: short stacking energy: -403.551 Base-Backbone interact. energy: 0.616 local terms energy: -568.144956 where: bonds (distance) C4'-P energy: -147.962 bonds (distance) P-C4' energy: -155.211 flat angles C4'-P-C4' energy: -146.447 flat angles P-C4'-P energy: -87.670 tors. eta vs tors. theta energy: -30.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1034.414443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.414443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.414443 (E_RNA) where: Base-Base interactions energy: -511.550 where: short stacking energy: -377.671 Base-Backbone interact. energy: -5.191 local terms energy: -517.672978 where: bonds (distance) C4'-P energy: -134.772 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -128.159 flat angles P-C4'-P energy: -83.524 tors. eta vs tors. theta energy: -33.553 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: 133 Temperature: 1.300000 Total energy: -858.171579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.171579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.171579 (E_RNA) where: Base-Base interactions energy: -329.531 where: short stacking energy: -296.084 Base-Backbone interact. energy: -3.930 local terms energy: -524.711164 where: bonds (distance) C4'-P energy: -162.253 bonds (distance) P-C4' energy: -155.688 flat angles C4'-P-C4' energy: -121.524 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -745.608192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.608192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.608192 (E_RNA) where: Base-Base interactions energy: -302.732 where: short stacking energy: -249.389 Base-Backbone interact. energy: -2.788 local terms energy: -440.088167 where: bonds (distance) C4'-P energy: -135.225 bonds (distance) P-C4' energy: -144.920 flat angles C4'-P-C4' energy: -116.239 flat angles P-C4'-P energy: -72.150 tors. eta vs tors. theta energy: 28.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2523.569487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.569487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.569487 (E_RNA) where: Base-Base interactions energy: -1557.771 where: short stacking energy: -970.536 Base-Backbone interact. energy: -1.838 local terms energy: -963.960339 where: bonds (distance) C4'-P energy: -177.725 bonds (distance) P-C4' energy: -200.611 flat angles C4'-P-C4' energy: -202.072 flat angles P-C4'-P energy: -123.621 tors. eta vs tors. theta energy: -259.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2258.636736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.636736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.636736 (E_RNA) where: Base-Base interactions energy: -1365.994 where: short stacking energy: -877.452 Base-Backbone interact. energy: 2.953 local terms energy: -895.595904 where: bonds (distance) C4'-P energy: -180.698 bonds (distance) P-C4' energy: -183.908 flat angles C4'-P-C4' energy: -197.337 flat angles P-C4'-P energy: -115.394 tors. eta vs tors. theta energy: -218.259 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: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2056.382127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.382127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.382127 (E_RNA) where: Base-Base interactions energy: -1224.421 where: short stacking energy: -767.682 Base-Backbone interact. energy: -0.977 local terms energy: -830.983437 where: bonds (distance) C4'-P energy: -175.664 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -172.644 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -189.529 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: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2013.945356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.945356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.945356 (E_RNA) where: Base-Base interactions energy: -1233.547 where: short stacking energy: -743.444 Base-Backbone interact. energy: 4.026 local terms energy: -784.424891 where: bonds (distance) C4'-P energy: -177.455 bonds (distance) P-C4' energy: -164.697 flat angles C4'-P-C4' energy: -176.429 flat angles P-C4'-P energy: -107.165 tors. eta vs tors. theta energy: -158.679 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1651.175214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.175214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.175214 (E_RNA) where: Base-Base interactions energy: -931.435 where: short stacking energy: -611.066 Base-Backbone interact. energy: -0.932 local terms energy: -718.808457 where: bonds (distance) C4'-P energy: -149.338 bonds (distance) P-C4' energy: -169.849 flat angles C4'-P-C4' energy: -177.921 flat angles P-C4'-P energy: -96.346 tors. eta vs tors. theta energy: -125.355 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: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1256.326907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.326907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.326907 (E_RNA) where: Base-Base interactions energy: -641.814 where: short stacking energy: -463.956 Base-Backbone interact. energy: -2.410 local terms energy: -612.103516 where: bonds (distance) C4'-P energy: -153.121 bonds (distance) P-C4' energy: -165.408 flat angles C4'-P-C4' energy: -141.316 flat angles P-C4'-P energy: -95.984 tors. eta vs tors. theta energy: -56.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1128.008108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.008108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.008108 (E_RNA) where: Base-Base interactions energy: -531.848 where: short stacking energy: -395.804 Base-Backbone interact. energy: 4.319 local terms energy: -600.479888 where: bonds (distance) C4'-P energy: -150.572 bonds (distance) P-C4' energy: -151.107 flat angles C4'-P-C4' energy: -174.029 flat angles P-C4'-P energy: -94.563 tors. eta vs tors. theta energy: -30.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -954.277119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.277119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.277119 (E_RNA) where: Base-Base interactions energy: -390.048 where: short stacking energy: -327.244 Base-Backbone interact. energy: -1.782 local terms energy: -562.446630 where: bonds (distance) C4'-P energy: -156.791 bonds (distance) P-C4' energy: -165.764 flat angles C4'-P-C4' energy: -140.837 flat angles P-C4'-P energy: -77.920 tors. eta vs tors. theta energy: -21.136 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: 134 Temperature: 1.300000 Total energy: -842.411216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.411216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.411216 (E_RNA) where: Base-Base interactions energy: -348.128 where: short stacking energy: -318.812 Base-Backbone interact. energy: 1.589 local terms energy: -495.872076 where: bonds (distance) C4'-P energy: -125.391 bonds (distance) P-C4' energy: -134.181 flat angles C4'-P-C4' energy: -133.159 flat angles P-C4'-P energy: -77.824 tors. eta vs tors. theta energy: -25.317 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: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -800.478860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.478860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.478860 (E_RNA) where: Base-Base interactions energy: -340.390 where: short stacking energy: -300.998 Base-Backbone interact. energy: 7.773 local terms energy: -467.861604 where: bonds (distance) C4'-P energy: -121.253 bonds (distance) P-C4' energy: -146.572 flat angles C4'-P-C4' energy: -141.454 flat angles P-C4'-P energy: -74.550 tors. eta vs tors. theta energy: 15.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2469.938750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.938750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.938750 (E_RNA) where: Base-Base interactions energy: -1525.028 where: short stacking energy: -916.009 Base-Backbone interact. energy: -2.140 local terms energy: -942.770571 where: bonds (distance) C4'-P energy: -185.118 bonds (distance) P-C4' energy: -189.713 flat angles C4'-P-C4' energy: -199.600 flat angles P-C4'-P energy: -128.953 tors. eta vs tors. theta energy: -239.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2167.342149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.342149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.342149 (E_RNA) where: Base-Base interactions energy: -1320.403 where: short stacking energy: -797.715 Base-Backbone interact. energy: -4.014 local terms energy: -842.924853 where: bonds (distance) C4'-P energy: -175.657 bonds (distance) P-C4' energy: -164.387 flat angles C4'-P-C4' energy: -179.929 flat angles P-C4'-P energy: -137.319 tors. eta vs tors. theta energy: -185.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2019.412062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.412062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.412062 (E_RNA) where: Base-Base interactions energy: -1231.372 where: short stacking energy: -774.694 Base-Backbone interact. energy: -3.052 local terms energy: -784.987306 where: bonds (distance) C4'-P energy: -166.194 bonds (distance) P-C4' energy: -182.493 flat angles C4'-P-C4' energy: -162.198 flat angles P-C4'-P energy: -102.638 tors. eta vs tors. theta energy: -171.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2004.629751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.629751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.629751 (E_RNA) where: Base-Base interactions energy: -1212.628 where: short stacking energy: -747.244 Base-Backbone interact. energy: -2.225 local terms energy: -789.776548 where: bonds (distance) C4'-P energy: -174.401 bonds (distance) P-C4' energy: -160.671 flat angles C4'-P-C4' energy: -174.338 flat angles P-C4'-P energy: -109.410 tors. eta vs tors. theta energy: -170.955 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: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1650.401071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.401071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.401071 (E_RNA) where: Base-Base interactions energy: -945.214 where: short stacking energy: -632.394 Base-Backbone interact. energy: 0.525 local terms energy: -705.711559 where: bonds (distance) C4'-P energy: -152.392 bonds (distance) P-C4' energy: -175.925 flat angles C4'-P-C4' energy: -177.921 flat angles P-C4'-P energy: -82.196 tors. eta vs tors. theta energy: -117.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1196.045652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.045652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.045652 (E_RNA) where: Base-Base interactions energy: -589.154 where: short stacking energy: -452.578 Base-Backbone interact. energy: -2.818 local terms energy: -604.073975 where: bonds (distance) C4'-P energy: -147.949 bonds (distance) P-C4' energy: -163.571 flat angles C4'-P-C4' energy: -139.982 flat angles P-C4'-P energy: -96.916 tors. eta vs tors. theta energy: -55.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1090.958880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.958880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.958880 (E_RNA) where: Base-Base interactions energy: -502.062 where: short stacking energy: -407.115 Base-Backbone interact. energy: 0.042 local terms energy: -588.939756 where: bonds (distance) C4'-P energy: -147.690 bonds (distance) P-C4' energy: -172.029 flat angles C4'-P-C4' energy: -153.225 flat angles P-C4'-P energy: -81.689 tors. eta vs tors. theta energy: -34.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -965.390946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.390946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.390946 (E_RNA) where: Base-Base interactions energy: -421.330 where: short stacking energy: -353.882 Base-Backbone interact. energy: 3.075 local terms energy: -547.136362 where: bonds (distance) C4'-P energy: -162.202 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -139.764 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -15.557 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: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -816.195083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.195083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.195083 (E_RNA) where: Base-Base interactions energy: -327.549 where: short stacking energy: -303.772 Base-Backbone interact. energy: 1.076 local terms energy: -489.722234 where: bonds (distance) C4'-P energy: -130.364 bonds (distance) P-C4' energy: -154.662 flat angles C4'-P-C4' energy: -116.471 flat angles P-C4'-P energy: -86.095 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -764.970442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.970442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.970442 (E_RNA) where: Base-Base interactions energy: -291.838 where: short stacking energy: -268.799 Base-Backbone interact. energy: -3.741 local terms energy: -469.391521 where: bonds (distance) C4'-P energy: -146.549 bonds (distance) P-C4' energy: -138.516 flat angles C4'-P-C4' energy: -134.254 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: 9.556 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: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2476.392190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.392190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.392190 (E_RNA) where: Base-Base interactions energy: -1519.036 where: short stacking energy: -935.710 Base-Backbone interact. energy: -5.325 local terms energy: -952.030619 where: bonds (distance) C4'-P energy: -184.474 bonds (distance) P-C4' energy: -192.883 flat angles C4'-P-C4' energy: -203.141 flat angles P-C4'-P energy: -131.651 tors. eta vs tors. theta energy: -239.882 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: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2216.947311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.947311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.947311 (E_RNA) where: Base-Base interactions energy: -1357.657 where: short stacking energy: -856.733 Base-Backbone interact. energy: 0.013 local terms energy: -859.303162 where: bonds (distance) C4'-P energy: -157.066 bonds (distance) P-C4' energy: -166.131 flat angles C4'-P-C4' energy: -198.467 flat angles P-C4'-P energy: -126.526 tors. eta vs tors. theta energy: -211.114 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: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2042.862297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.862297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.862297 (E_RNA) where: Base-Base interactions energy: -1221.499 where: short stacking energy: -762.895 Base-Backbone interact. energy: -1.797 local terms energy: -819.566994 where: bonds (distance) C4'-P energy: -165.404 bonds (distance) P-C4' energy: -177.734 flat angles C4'-P-C4' energy: -184.433 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -165.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2044.430565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.430565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.430565 (E_RNA) where: Base-Base interactions energy: -1233.850 where: short stacking energy: -786.572 Base-Backbone interact. energy: -3.637 local terms energy: -806.943017 where: bonds (distance) C4'-P energy: -159.698 bonds (distance) P-C4' energy: -172.020 flat angles C4'-P-C4' energy: -186.903 flat angles P-C4'-P energy: -100.711 tors. eta vs tors. theta energy: -187.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1635.357997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.357997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.357997 (E_RNA) where: Base-Base interactions energy: -924.502 where: short stacking energy: -607.512 Base-Backbone interact. energy: 0.384 local terms energy: -711.239957 where: bonds (distance) C4'-P energy: -158.947 bonds (distance) P-C4' energy: -172.745 flat angles C4'-P-C4' energy: -164.367 flat angles P-C4'-P energy: -106.321 tors. eta vs tors. theta energy: -108.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1201.952777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.952777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.952777 (E_RNA) where: Base-Base interactions energy: -538.387 where: short stacking energy: -448.652 Base-Backbone interact. energy: -3.094 local terms energy: -660.472648 where: bonds (distance) C4'-P energy: -168.210 bonds (distance) P-C4' energy: -187.280 flat angles C4'-P-C4' energy: -155.396 flat angles P-C4'-P energy: -78.642 tors. eta vs tors. theta energy: -70.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1185.298253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.298253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.298253 (E_RNA) where: Base-Base interactions energy: -573.012 where: short stacking energy: -409.580 Base-Backbone interact. energy: 0.054 local terms energy: -612.340085 where: bonds (distance) C4'-P energy: -159.673 bonds (distance) P-C4' energy: -169.145 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -101.821 tors. eta vs tors. theta energy: -31.214 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: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1035.357173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.357173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.357173 (E_RNA) where: Base-Base interactions energy: -462.144 where: short stacking energy: -361.948 Base-Backbone interact. energy: 5.343 local terms energy: -578.556349 where: bonds (distance) C4'-P energy: -140.510 bonds (distance) P-C4' energy: -152.009 flat angles C4'-P-C4' energy: -172.485 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -31.521 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: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -863.199960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.199960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.199960 (E_RNA) where: Base-Base interactions energy: -378.507 where: short stacking energy: -295.254 Base-Backbone interact. energy: -4.775 local terms energy: -479.918690 where: bonds (distance) C4'-P energy: -131.430 bonds (distance) P-C4' energy: -156.955 flat angles C4'-P-C4' energy: -121.932 flat angles P-C4'-P energy: -85.070 tors. eta vs tors. theta energy: 15.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -783.668464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.668464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.668464 (E_RNA) where: Base-Base interactions energy: -277.013 where: short stacking energy: -257.414 Base-Backbone interact. energy: 0.763 local terms energy: -507.418711 where: bonds (distance) C4'-P energy: -143.565 bonds (distance) P-C4' energy: -160.184 flat angles C4'-P-C4' energy: -130.806 flat angles P-C4'-P energy: -86.576 tors. eta vs tors. theta energy: 13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2473.213211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.213211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.213211 (E_RNA) where: Base-Base interactions energy: -1544.229 where: short stacking energy: -909.647 Base-Backbone interact. energy: -5.945 local terms energy: -923.039103 where: bonds (distance) C4'-P energy: -173.941 bonds (distance) P-C4' energy: -202.262 flat angles C4'-P-C4' energy: -191.988 flat angles P-C4'-P energy: -132.769 tors. eta vs tors. theta energy: -222.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2249.142170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.142170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.142170 (E_RNA) where: Base-Base interactions energy: -1354.071 where: short stacking energy: -862.747 Base-Backbone interact. energy: -1.105 local terms energy: -893.965409 where: bonds (distance) C4'-P energy: -160.332 bonds (distance) P-C4' energy: -191.101 flat angles C4'-P-C4' energy: -187.392 flat angles P-C4'-P energy: -139.765 tors. eta vs tors. theta energy: -215.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2071.405617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.405617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.405617 (E_RNA) where: Base-Base interactions energy: -1246.157 where: short stacking energy: -780.141 Base-Backbone interact. energy: -2.976 local terms energy: -822.272658 where: bonds (distance) C4'-P energy: -140.902 bonds (distance) P-C4' energy: -176.328 flat angles C4'-P-C4' energy: -197.217 flat angles P-C4'-P energy: -122.775 tors. eta vs tors. theta energy: -185.051 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: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2066.622564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.622564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.622564 (E_RNA) where: Base-Base interactions energy: -1259.684 where: short stacking energy: -806.752 Base-Backbone interact. energy: -6.333 local terms energy: -800.606241 where: bonds (distance) C4'-P energy: -149.724 bonds (distance) P-C4' energy: -164.564 flat angles C4'-P-C4' energy: -185.549 flat angles P-C4'-P energy: -118.046 tors. eta vs tors. theta energy: -182.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1565.677944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.677944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.677944 (E_RNA) where: Base-Base interactions energy: -885.012 where: short stacking energy: -607.030 Base-Backbone interact. energy: 3.351 local terms energy: -684.016806 where: bonds (distance) C4'-P energy: -152.622 bonds (distance) P-C4' energy: -170.677 flat angles C4'-P-C4' energy: -155.914 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -107.143 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: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1265.579130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.579130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.579130 (E_RNA) where: Base-Base interactions energy: -647.485 where: short stacking energy: -465.653 Base-Backbone interact. energy: -4.485 local terms energy: -613.608672 where: bonds (distance) C4'-P energy: -157.221 bonds (distance) P-C4' energy: -165.219 flat angles C4'-P-C4' energy: -146.720 flat angles P-C4'-P energy: -91.704 tors. eta vs tors. theta energy: -52.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1096.005446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.005446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.005446 (E_RNA) where: Base-Base interactions energy: -503.487 where: short stacking energy: -415.352 Base-Backbone interact. energy: -3.110 local terms energy: -589.408948 where: bonds (distance) C4'-P energy: -157.685 bonds (distance) P-C4' energy: -151.478 flat angles C4'-P-C4' energy: -151.023 flat angles P-C4'-P energy: -87.032 tors. eta vs tors. theta energy: -42.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1056.100835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.100835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.100835 (E_RNA) where: Base-Base interactions energy: -478.980 where: short stacking energy: -390.665 Base-Backbone interact. energy: -3.354 local terms energy: -573.767176 where: bonds (distance) C4'-P energy: -148.567 bonds (distance) P-C4' energy: -164.351 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -83.475 tors. eta vs tors. theta energy: -28.628 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: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -836.524520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.524520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.524520 (E_RNA) where: Base-Base interactions energy: -326.677 where: short stacking energy: -285.442 Base-Backbone interact. energy: 5.424 local terms energy: -515.271206 where: bonds (distance) C4'-P energy: -148.138 bonds (distance) P-C4' energy: -146.634 flat angles C4'-P-C4' energy: -143.671 flat angles P-C4'-P energy: -85.862 tors. eta vs tors. theta energy: 9.034 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: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -778.202136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.202136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.202136 (E_RNA) where: Base-Base interactions energy: -309.301 where: short stacking energy: -285.346 Base-Backbone interact. energy: 2.673 local terms energy: -471.574530 where: bonds (distance) C4'-P energy: -153.644 bonds (distance) P-C4' energy: -134.431 flat angles C4'-P-C4' energy: -134.454 flat angles P-C4'-P energy: -67.941 tors. eta vs tors. theta energy: 18.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2453.109154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.109154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.109154 (E_RNA) where: Base-Base interactions energy: -1529.856 where: short stacking energy: -915.389 Base-Backbone interact. energy: -2.808 local terms energy: -920.445768 where: bonds (distance) C4'-P energy: -186.839 bonds (distance) P-C4' energy: -178.107 flat angles C4'-P-C4' energy: -195.631 flat angles P-C4'-P energy: -135.834 tors. eta vs tors. theta energy: -224.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2281.444975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.444975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.444975 (E_RNA) where: Base-Base interactions energy: -1383.716 where: short stacking energy: -854.593 Base-Backbone interact. energy: -3.497 local terms energy: -894.232237 where: bonds (distance) C4'-P energy: -169.798 bonds (distance) P-C4' energy: -197.155 flat angles C4'-P-C4' energy: -209.077 flat angles P-C4'-P energy: -121.007 tors. eta vs tors. theta energy: -197.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2075.959861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.959861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.959861 (E_RNA) where: Base-Base interactions energy: -1258.095 where: short stacking energy: -798.536 Base-Backbone interact. energy: -5.294 local terms energy: -812.571164 where: bonds (distance) C4'-P energy: -154.219 bonds (distance) P-C4' energy: -167.061 flat angles C4'-P-C4' energy: -199.012 flat angles P-C4'-P energy: -107.639 tors. eta vs tors. theta energy: -184.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2030.804550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.804550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.804550 (E_RNA) where: Base-Base interactions energy: -1213.814 where: short stacking energy: -754.926 Base-Backbone interact. energy: 0.759 local terms energy: -817.749170 where: bonds (distance) C4'-P energy: -157.504 bonds (distance) P-C4' energy: -177.196 flat angles C4'-P-C4' energy: -194.100 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -181.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1592.014088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.014088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.014088 (E_RNA) where: Base-Base interactions energy: -908.283 where: short stacking energy: -600.130 Base-Backbone interact. energy: -1.689 local terms energy: -682.041931 where: bonds (distance) C4'-P energy: -139.134 bonds (distance) P-C4' energy: -161.863 flat angles C4'-P-C4' energy: -164.895 flat angles P-C4'-P energy: -114.227 tors. eta vs tors. theta energy: -101.924 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: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1227.711543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.711543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.711543 (E_RNA) where: Base-Base interactions energy: -599.650 where: short stacking energy: -468.236 Base-Backbone interact. energy: -0.303 local terms energy: -627.758671 where: bonds (distance) C4'-P energy: -137.543 bonds (distance) P-C4' energy: -179.016 flat angles C4'-P-C4' energy: -169.333 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: -56.875 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: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1088.212802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.212802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.212802 (E_RNA) where: Base-Base interactions energy: -483.842 where: short stacking energy: -397.528 Base-Backbone interact. energy: 4.845 local terms energy: -609.215537 where: bonds (distance) C4'-P energy: -174.134 bonds (distance) P-C4' energy: -153.348 flat angles C4'-P-C4' energy: -143.605 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: -49.141 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: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -981.879369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.879369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.879369 (E_RNA) where: Base-Base interactions energy: -425.194 where: short stacking energy: -331.086 Base-Backbone interact. energy: -2.186 local terms energy: -554.499561 where: bonds (distance) C4'-P energy: -158.042 bonds (distance) P-C4' energy: -159.551 flat angles C4'-P-C4' energy: -141.554 flat angles P-C4'-P energy: -88.445 tors. eta vs tors. theta energy: -6.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -850.474279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.474279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.474279 (E_RNA) where: Base-Base interactions energy: -353.193 where: short stacking energy: -273.734 Base-Backbone interact. energy: 1.713 local terms energy: -498.994650 where: bonds (distance) C4'-P energy: -143.398 bonds (distance) P-C4' energy: -162.275 flat angles C4'-P-C4' energy: -138.250 flat angles P-C4'-P energy: -69.738 tors. eta vs tors. theta energy: 14.666 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: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -745.906600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.906600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.906600 (E_RNA) where: Base-Base interactions energy: -309.659 where: short stacking energy: -258.043 Base-Backbone interact. energy: -1.633 local terms energy: -434.615226 where: bonds (distance) C4'-P energy: -128.866 bonds (distance) P-C4' energy: -152.332 flat angles C4'-P-C4' energy: -110.734 flat angles P-C4'-P energy: -70.278 tors. eta vs tors. theta energy: 27.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2541.087950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.087950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.087950 (E_RNA) where: Base-Base interactions energy: -1608.642 where: short stacking energy: -956.051 Base-Backbone interact. energy: -3.385 local terms energy: -929.061144 where: bonds (distance) C4'-P energy: -185.970 bonds (distance) P-C4' energy: -181.146 flat angles C4'-P-C4' energy: -209.639 flat angles P-C4'-P energy: -127.722 tors. eta vs tors. theta energy: -224.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2241.957108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.957108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.957108 (E_RNA) where: Base-Base interactions energy: -1409.058 where: short stacking energy: -888.791 Base-Backbone interact. energy: 0.421 local terms energy: -833.319618 where: bonds (distance) C4'-P energy: -164.248 bonds (distance) P-C4' energy: -162.772 flat angles C4'-P-C4' energy: -193.821 flat angles P-C4'-P energy: -112.448 tors. eta vs tors. theta energy: -200.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2222.920628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.920628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.920628 (E_RNA) where: Base-Base interactions energy: -1356.441 where: short stacking energy: -871.471 Base-Backbone interact. energy: 0.074 local terms energy: -866.553903 where: bonds (distance) C4'-P energy: -161.041 bonds (distance) P-C4' energy: -153.890 flat angles C4'-P-C4' energy: -197.656 flat angles P-C4'-P energy: -132.822 tors. eta vs tors. theta energy: -221.145 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: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1972.993163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.993163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.993163 (E_RNA) where: Base-Base interactions energy: -1193.362 where: short stacking energy: -748.637 Base-Backbone interact. energy: -3.007 local terms energy: -776.624260 where: bonds (distance) C4'-P energy: -167.194 bonds (distance) P-C4' energy: -156.788 flat angles C4'-P-C4' energy: -182.882 flat angles P-C4'-P energy: -108.081 tors. eta vs tors. theta energy: -161.679 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: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1573.757050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.757050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.757050 (E_RNA) where: Base-Base interactions energy: -879.830 where: short stacking energy: -544.504 Base-Backbone interact. energy: -4.948 local terms energy: -688.979719 where: bonds (distance) C4'-P energy: -149.747 bonds (distance) P-C4' energy: -185.020 flat angles C4'-P-C4' energy: -165.567 flat angles P-C4'-P energy: -89.472 tors. eta vs tors. theta energy: -99.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1259.587887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.587887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.587887 (E_RNA) where: Base-Base interactions energy: -615.749 where: short stacking energy: -476.409 Base-Backbone interact. energy: -3.616 local terms energy: -640.223183 where: bonds (distance) C4'-P energy: -166.815 bonds (distance) P-C4' energy: -158.171 flat angles C4'-P-C4' energy: -144.218 flat angles P-C4'-P energy: -108.650 tors. eta vs tors. theta energy: -62.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1070.161964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.161964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.161964 (E_RNA) where: Base-Base interactions energy: -510.924 where: short stacking energy: -420.782 Base-Backbone interact. energy: -3.434 local terms energy: -555.804037 where: bonds (distance) C4'-P energy: -124.045 bonds (distance) P-C4' energy: -168.830 flat angles C4'-P-C4' energy: -156.797 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -31.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -965.172339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.172339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.172339 (E_RNA) where: Base-Base interactions energy: -471.311 where: short stacking energy: -385.681 Base-Backbone interact. energy: 9.282 local terms energy: -503.142718 where: bonds (distance) C4'-P energy: -131.560 bonds (distance) P-C4' energy: -144.567 flat angles C4'-P-C4' energy: -141.952 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -8.423 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: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -890.884060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.884060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.884060 (E_RNA) where: Base-Base interactions energy: -390.715 where: short stacking energy: -315.028 Base-Backbone interact. energy: -2.219 local terms energy: -497.950209 where: bonds (distance) C4'-P energy: -130.671 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -129.223 flat angles P-C4'-P energy: -67.720 tors. eta vs tors. theta energy: -7.878 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: 139 Temperature: 1.350000 Total energy: -755.535726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.535726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.535726 (E_RNA) where: Base-Base interactions energy: -307.292 where: short stacking energy: -259.378 Base-Backbone interact. energy: -0.004 local terms energy: -448.239282 where: bonds (distance) C4'-P energy: -137.148 bonds (distance) P-C4' energy: -170.344 flat angles C4'-P-C4' energy: -108.465 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: 32.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2493.715069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.715069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.715069 (E_RNA) where: Base-Base interactions energy: -1552.039 where: short stacking energy: -922.375 Base-Backbone interact. energy: -3.138 local terms energy: -938.538645 where: bonds (distance) C4'-P energy: -178.778 bonds (distance) P-C4' energy: -184.485 flat angles C4'-P-C4' energy: -207.741 flat angles P-C4'-P energy: -126.082 tors. eta vs tors. theta energy: -241.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2309.550954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.550954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.550954 (E_RNA) where: Base-Base interactions energy: -1423.661 where: short stacking energy: -879.778 Base-Backbone interact. energy: -2.492 local terms energy: -883.398127 where: bonds (distance) C4'-P energy: -181.011 bonds (distance) P-C4' energy: -190.757 flat angles C4'-P-C4' energy: -197.059 flat angles P-C4'-P energy: -112.502 tors. eta vs tors. theta energy: -202.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2161.280747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.280747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.280747 (E_RNA) where: Base-Base interactions energy: -1294.814 where: short stacking energy: -841.541 Base-Backbone interact. energy: -3.435 local terms energy: -863.031288 where: bonds (distance) C4'-P energy: -167.624 bonds (distance) P-C4' energy: -168.550 flat angles C4'-P-C4' energy: -190.708 flat angles P-C4'-P energy: -137.915 tors. eta vs tors. theta energy: -198.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1933.474223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.474223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.474223 (E_RNA) where: Base-Base interactions energy: -1159.701 where: short stacking energy: -713.978 Base-Backbone interact. energy: -5.051 local terms energy: -768.722278 where: bonds (distance) C4'-P energy: -164.491 bonds (distance) P-C4' energy: -147.950 flat angles C4'-P-C4' energy: -190.490 flat angles P-C4'-P energy: -120.017 tors. eta vs tors. theta energy: -145.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1543.460735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.460735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.460735 (E_RNA) where: Base-Base interactions energy: -858.850 where: short stacking energy: -542.378 Base-Backbone interact. energy: -1.639 local terms energy: -682.971736 where: bonds (distance) C4'-P energy: -149.265 bonds (distance) P-C4' energy: -179.048 flat angles C4'-P-C4' energy: -153.831 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -96.655 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: 140 Temperature: 1.150000 Total energy: -1234.896300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.896300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.896300 (E_RNA) where: Base-Base interactions energy: -631.997 where: short stacking energy: -460.218 Base-Backbone interact. energy: 2.203 local terms energy: -605.102357 where: bonds (distance) C4'-P energy: -159.996 bonds (distance) P-C4' energy: -165.717 flat angles C4'-P-C4' energy: -148.566 flat angles P-C4'-P energy: -93.408 tors. eta vs tors. theta energy: -37.415 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: 140 Temperature: 1.200000 Total energy: -1108.933035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.933035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.933035 (E_RNA) where: Base-Base interactions energy: -508.015 where: short stacking energy: -430.173 Base-Backbone interact. energy: 4.049 local terms energy: -604.966872 where: bonds (distance) C4'-P energy: -152.644 bonds (distance) P-C4' energy: -160.233 flat angles C4'-P-C4' energy: -155.227 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -42.806 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: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -971.551778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.551778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.551778 (E_RNA) where: Base-Base interactions energy: -474.397 where: short stacking energy: -359.794 Base-Backbone interact. energy: -2.210 local terms energy: -494.945025 where: bonds (distance) C4'-P energy: -140.414 bonds (distance) P-C4' energy: -152.014 flat angles C4'-P-C4' energy: -116.882 flat angles P-C4'-P energy: -88.323 tors. eta vs tors. theta energy: 2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -891.792644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.792644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.792644 (E_RNA) where: Base-Base interactions energy: -363.175 where: short stacking energy: -312.177 Base-Backbone interact. energy: -1.060 local terms energy: -527.557823 where: bonds (distance) C4'-P energy: -146.954 bonds (distance) P-C4' energy: -162.651 flat angles C4'-P-C4' energy: -127.329 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -754.156961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.156961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.156961 (E_RNA) where: Base-Base interactions energy: -278.789 where: short stacking energy: -243.569 Base-Backbone interact. energy: 0.045 local terms energy: -475.413131 where: bonds (distance) C4'-P energy: -132.512 bonds (distance) P-C4' energy: -160.959 flat angles C4'-P-C4' energy: -116.945 flat angles P-C4'-P energy: -92.026 tors. eta vs tors. theta energy: 27.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2473.712360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.712360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.712360 (E_RNA) where: Base-Base interactions energy: -1555.776 where: short stacking energy: -937.730 Base-Backbone interact. energy: -6.583 local terms energy: -911.353455 where: bonds (distance) C4'-P energy: -171.887 bonds (distance) P-C4' energy: -183.110 flat angles C4'-P-C4' energy: -200.846 flat angles P-C4'-P energy: -130.903 tors. eta vs tors. theta energy: -224.607 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: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2298.131061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.131061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.131061 (E_RNA) where: Base-Base interactions energy: -1401.983 where: short stacking energy: -834.262 Base-Backbone interact. energy: -8.640 local terms energy: -887.508278 where: bonds (distance) C4'-P energy: -169.396 bonds (distance) P-C4' energy: -191.053 flat angles C4'-P-C4' energy: -204.840 flat angles P-C4'-P energy: -123.733 tors. eta vs tors. theta energy: -198.485 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: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2156.137035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.137035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.137035 (E_RNA) where: Base-Base interactions energy: -1306.443 where: short stacking energy: -807.505 Base-Backbone interact. energy: -3.246 local terms energy: -846.448876 where: bonds (distance) C4'-P energy: -166.160 bonds (distance) P-C4' energy: -170.556 flat angles C4'-P-C4' energy: -189.017 flat angles P-C4'-P energy: -127.328 tors. eta vs tors. theta energy: -193.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1938.075377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.075377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.075377 (E_RNA) where: Base-Base interactions energy: -1155.853 where: short stacking energy: -751.983 Base-Backbone interact. energy: 0.171 local terms energy: -782.392846 where: bonds (distance) C4'-P energy: -163.799 bonds (distance) P-C4' energy: -169.097 flat angles C4'-P-C4' energy: -179.980 flat angles P-C4'-P energy: -95.737 tors. eta vs tors. theta energy: -173.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1643.245902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.245902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.245902 (E_RNA) where: Base-Base interactions energy: -910.180 where: short stacking energy: -570.260 Base-Backbone interact. energy: -1.826 local terms energy: -731.240335 where: bonds (distance) C4'-P energy: -174.325 bonds (distance) P-C4' energy: -171.362 flat angles C4'-P-C4' energy: -155.188 flat angles P-C4'-P energy: -109.518 tors. eta vs tors. theta energy: -120.847 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: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1301.495098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.495098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.495098 (E_RNA) where: Base-Base interactions energy: -667.888 where: short stacking energy: -506.924 Base-Backbone interact. energy: 3.493 local terms energy: -637.100700 where: bonds (distance) C4'-P energy: -148.733 bonds (distance) P-C4' energy: -163.041 flat angles C4'-P-C4' energy: -163.340 flat angles P-C4'-P energy: -87.541 tors. eta vs tors. theta energy: -74.446 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: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1014.205278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.205278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.205278 (E_RNA) where: Base-Base interactions energy: -452.219 where: short stacking energy: -378.553 Base-Backbone interact. energy: 3.110 local terms energy: -565.096564 where: bonds (distance) C4'-P energy: -151.522 bonds (distance) P-C4' energy: -179.449 flat angles C4'-P-C4' energy: -117.349 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -31.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1012.057775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.057775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.057775 (E_RNA) where: Base-Base interactions energy: -439.283 where: short stacking energy: -368.586 Base-Backbone interact. energy: -1.349 local terms energy: -571.424999 where: bonds (distance) C4'-P energy: -165.087 bonds (distance) P-C4' energy: -161.700 flat angles C4'-P-C4' energy: -152.492 flat angles P-C4'-P energy: -59.586 tors. eta vs tors. theta energy: -32.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -837.799981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.799981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.799981 (E_RNA) where: Base-Base interactions energy: -340.830 where: short stacking energy: -280.804 Base-Backbone interact. energy: 0.434 local terms energy: -497.403468 where: bonds (distance) C4'-P energy: -148.647 bonds (distance) P-C4' energy: -161.200 flat angles C4'-P-C4' energy: -124.155 flat angles P-C4'-P energy: -76.169 tors. eta vs tors. theta energy: 12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -767.552697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.552697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.552697 (E_RNA) where: Base-Base interactions energy: -318.898 where: short stacking energy: -255.390 Base-Backbone interact. energy: -1.260 local terms energy: -447.394046 where: bonds (distance) C4'-P energy: -140.922 bonds (distance) P-C4' energy: -141.086 flat angles C4'-P-C4' energy: -121.358 flat angles P-C4'-P energy: -62.554 tors. eta vs tors. theta energy: 18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2507.035963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.035963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.035963 (E_RNA) where: Base-Base interactions energy: -1569.654 where: short stacking energy: -961.399 Base-Backbone interact. energy: -4.346 local terms energy: -933.035864 where: bonds (distance) C4'-P energy: -166.054 bonds (distance) P-C4' energy: -197.568 flat angles C4'-P-C4' energy: -206.825 flat angles P-C4'-P energy: -125.702 tors. eta vs tors. theta energy: -236.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2286.614470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.614470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.614470 (E_RNA) where: Base-Base interactions energy: -1390.100 where: short stacking energy: -828.961 Base-Backbone interact. energy: 3.516 local terms energy: -900.030411 where: bonds (distance) C4'-P energy: -186.191 bonds (distance) P-C4' energy: -188.680 flat angles C4'-P-C4' energy: -195.411 flat angles P-C4'-P energy: -126.065 tors. eta vs tors. theta energy: -203.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2107.783380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.783380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.783380 (E_RNA) where: Base-Base interactions energy: -1281.152 where: short stacking energy: -781.965 Base-Backbone interact. energy: -1.341 local terms energy: -825.290717 where: bonds (distance) C4'-P energy: -152.952 bonds (distance) P-C4' energy: -180.462 flat angles C4'-P-C4' energy: -194.462 flat angles P-C4'-P energy: -128.845 tors. eta vs tors. theta energy: -168.570 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: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1901.129904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.129904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.129904 (E_RNA) where: Base-Base interactions energy: -1132.255 where: short stacking energy: -717.399 Base-Backbone interact. energy: -3.360 local terms energy: -765.514435 where: bonds (distance) C4'-P energy: -161.746 bonds (distance) P-C4' energy: -181.666 flat angles C4'-P-C4' energy: -152.489 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -163.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1675.530272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.530272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.530272 (E_RNA) where: Base-Base interactions energy: -974.863 where: short stacking energy: -641.513 Base-Backbone interact. energy: -1.906 local terms energy: -698.761334 where: bonds (distance) C4'-P energy: -129.147 bonds (distance) P-C4' energy: -164.542 flat angles C4'-P-C4' energy: -167.986 flat angles P-C4'-P energy: -104.022 tors. eta vs tors. theta energy: -133.065 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: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1262.447388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.447388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.447388 (E_RNA) where: Base-Base interactions energy: -645.602 where: short stacking energy: -487.173 Base-Backbone interact. energy: 8.169 local terms energy: -625.014196 where: bonds (distance) C4'-P energy: -142.071 bonds (distance) P-C4' energy: -172.927 flat angles C4'-P-C4' energy: -148.644 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -69.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1078.134743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.134743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.134743 (E_RNA) where: Base-Base interactions energy: -466.588 where: short stacking energy: -414.834 Base-Backbone interact. energy: 0.741 local terms energy: -612.287108 where: bonds (distance) C4'-P energy: -146.482 bonds (distance) P-C4' energy: -155.366 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -95.415 tors. eta vs tors. theta energy: -51.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -973.107844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.107844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.107844 (E_RNA) where: Base-Base interactions energy: -429.891 where: short stacking energy: -356.052 Base-Backbone interact. energy: -3.053 local terms energy: -540.163929 where: bonds (distance) C4'-P energy: -135.208 bonds (distance) P-C4' energy: -148.724 flat angles C4'-P-C4' energy: -158.033 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -27.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -827.102855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.102855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.102855 (E_RNA) where: Base-Base interactions energy: -340.614 where: short stacking energy: -305.430 Base-Backbone interact. energy: 0.460 local terms energy: -486.948090 where: bonds (distance) C4'-P energy: -141.747 bonds (distance) P-C4' energy: -155.117 flat angles C4'-P-C4' energy: -122.560 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: 1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -763.533378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.533378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.533378 (E_RNA) where: Base-Base interactions energy: -312.710 where: short stacking energy: -293.887 Base-Backbone interact. energy: 13.407 local terms energy: -464.230218 where: bonds (distance) C4'-P energy: -130.244 bonds (distance) P-C4' energy: -151.728 flat angles C4'-P-C4' energy: -131.325 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2491.507711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.507711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.507711 (E_RNA) where: Base-Base interactions energy: -1528.506 where: short stacking energy: -895.893 Base-Backbone interact. energy: -2.635 local terms energy: -960.367252 where: bonds (distance) C4'-P energy: -200.751 bonds (distance) P-C4' energy: -195.016 flat angles C4'-P-C4' energy: -210.854 flat angles P-C4'-P energy: -133.177 tors. eta vs tors. theta energy: -220.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2303.797625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.797625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.797625 (E_RNA) where: Base-Base interactions energy: -1417.690 where: short stacking energy: -903.392 Base-Backbone interact. energy: -1.554 local terms energy: -884.553139 where: bonds (distance) C4'-P energy: -152.053 bonds (distance) P-C4' energy: -173.265 flat angles C4'-P-C4' energy: -209.056 flat angles P-C4'-P energy: -133.869 tors. eta vs tors. theta energy: -216.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2143.019749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.019749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.019749 (E_RNA) where: Base-Base interactions energy: -1304.496 where: short stacking energy: -824.112 Base-Backbone interact. energy: -3.395 local terms energy: -835.128349 where: bonds (distance) C4'-P energy: -181.245 bonds (distance) P-C4' energy: -159.550 flat angles C4'-P-C4' energy: -200.765 flat angles P-C4'-P energy: -108.190 tors. eta vs tors. theta energy: -185.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1881.870351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.870351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.870351 (E_RNA) where: Base-Base interactions energy: -1108.316 where: short stacking energy: -687.843 Base-Backbone interact. energy: 2.899 local terms energy: -776.452940 where: bonds (distance) C4'-P energy: -166.375 bonds (distance) P-C4' energy: -167.704 flat angles C4'-P-C4' energy: -172.231 flat angles P-C4'-P energy: -114.988 tors. eta vs tors. theta energy: -155.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1642.277197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.277197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.277197 (E_RNA) where: Base-Base interactions energy: -950.890 where: short stacking energy: -598.306 Base-Backbone interact. energy: -5.513 local terms energy: -685.875089 where: bonds (distance) C4'-P energy: -163.022 bonds (distance) P-C4' energy: -151.839 flat angles C4'-P-C4' energy: -177.034 flat angles P-C4'-P energy: -86.480 tors. eta vs tors. theta energy: -107.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1278.198353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.198353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.198353 (E_RNA) where: Base-Base interactions energy: -657.689 where: short stacking energy: -497.370 Base-Backbone interact. energy: -1.192 local terms energy: -619.317440 where: bonds (distance) C4'-P energy: -138.701 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -169.938 flat angles P-C4'-P energy: -98.614 tors. eta vs tors. theta energy: -55.852 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: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1063.581471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.581471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.581471 (E_RNA) where: Base-Base interactions energy: -448.302 where: short stacking energy: -378.736 Base-Backbone interact. energy: 0.184 local terms energy: -615.463966 where: bonds (distance) C4'-P energy: -158.487 bonds (distance) P-C4' energy: -179.978 flat angles C4'-P-C4' energy: -151.364 flat angles P-C4'-P energy: -88.237 tors. eta vs tors. theta energy: -37.399 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: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -923.955673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.955673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.955673 (E_RNA) where: Base-Base interactions energy: -413.376 where: short stacking energy: -343.832 Base-Backbone interact. energy: 0.913 local terms energy: -511.492822 where: bonds (distance) C4'-P energy: -146.391 bonds (distance) P-C4' energy: -160.753 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -63.319 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -824.273797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.273797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.273797 (E_RNA) where: Base-Base interactions energy: -325.550 where: short stacking energy: -295.686 Base-Backbone interact. energy: -3.686 local terms energy: -495.037708 where: bonds (distance) C4'-P energy: -133.545 bonds (distance) P-C4' energy: -155.397 flat angles C4'-P-C4' energy: -122.951 flat angles P-C4'-P energy: -81.638 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -782.390294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.390294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.390294 (E_RNA) where: Base-Base interactions energy: -313.747 where: short stacking energy: -272.602 Base-Backbone interact. energy: 13.590 local terms energy: -482.233081 where: bonds (distance) C4'-P energy: -149.033 bonds (distance) P-C4' energy: -155.627 flat angles C4'-P-C4' energy: -98.034 flat angles P-C4'-P energy: -79.917 tors. eta vs tors. theta energy: 0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2467.375370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.375370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.375370 (E_RNA) where: Base-Base interactions energy: -1529.590 where: short stacking energy: -952.444 Base-Backbone interact. energy: 0.455 local terms energy: -938.239997 where: bonds (distance) C4'-P energy: -177.088 bonds (distance) P-C4' energy: -174.432 flat angles C4'-P-C4' energy: -227.463 flat angles P-C4'-P energy: -128.676 tors. eta vs tors. theta energy: -230.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2293.853106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.853106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.853106 (E_RNA) where: Base-Base interactions energy: -1433.767 where: short stacking energy: -882.798 Base-Backbone interact. energy: 3.195 local terms energy: -863.281100 where: bonds (distance) C4'-P energy: -165.685 bonds (distance) P-C4' energy: -182.236 flat angles C4'-P-C4' energy: -207.049 flat angles P-C4'-P energy: -113.745 tors. eta vs tors. theta energy: -194.566 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: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2188.505301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.505301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.505301 (E_RNA) where: Base-Base interactions energy: -1299.432 where: short stacking energy: -835.791 Base-Backbone interact. energy: 2.404 local terms energy: -891.477224 where: bonds (distance) C4'-P energy: -184.586 bonds (distance) P-C4' energy: -193.527 flat angles C4'-P-C4' energy: -201.277 flat angles P-C4'-P energy: -134.152 tors. eta vs tors. theta energy: -177.935 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: 144 Temperature: 1.050000 Total energy: -1921.310405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.310405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.310405 (E_RNA) where: Base-Base interactions energy: -1153.492 where: short stacking energy: -755.042 Base-Backbone interact. energy: -3.597 local terms energy: -764.221705 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -168.584 flat angles C4'-P-C4' energy: -169.305 flat angles P-C4'-P energy: -103.906 tors. eta vs tors. theta energy: -165.165 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: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1630.205762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.205762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.205762 (E_RNA) where: Base-Base interactions energy: -929.387 where: short stacking energy: -575.376 Base-Backbone interact. energy: 2.020 local terms energy: -702.839031 where: bonds (distance) C4'-P energy: -156.460 bonds (distance) P-C4' energy: -168.741 flat angles C4'-P-C4' energy: -183.718 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -91.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1355.825499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.825499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.825499 (E_RNA) where: Base-Base interactions energy: -725.043 where: short stacking energy: -551.866 Base-Backbone interact. energy: 2.566 local terms energy: -633.348557 where: bonds (distance) C4'-P energy: -146.192 bonds (distance) P-C4' energy: -177.837 flat angles C4'-P-C4' energy: -162.678 flat angles P-C4'-P energy: -85.090 tors. eta vs tors. theta energy: -61.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1070.718735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.718735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.718735 (E_RNA) where: Base-Base interactions energy: -456.072 where: short stacking energy: -410.206 Base-Backbone interact. energy: -1.402 local terms energy: -613.244505 where: bonds (distance) C4'-P energy: -162.113 bonds (distance) P-C4' energy: -176.531 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -83.137 tors. eta vs tors. theta energy: -48.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1004.446256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.446256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.446256 (E_RNA) where: Base-Base interactions energy: -436.774 where: short stacking energy: -354.489 Base-Backbone interact. energy: -3.544 local terms energy: -564.128474 where: bonds (distance) C4'-P energy: -157.938 bonds (distance) P-C4' energy: -153.140 flat angles C4'-P-C4' energy: -137.154 flat angles P-C4'-P energy: -87.977 tors. eta vs tors. theta energy: -27.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -830.225916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.225916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.225916 (E_RNA) where: Base-Base interactions energy: -337.147 where: short stacking energy: -296.049 Base-Backbone interact. energy: 1.954 local terms energy: -495.033589 where: bonds (distance) C4'-P energy: -141.983 bonds (distance) P-C4' energy: -166.269 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -791.229137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.229137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.229137 (E_RNA) where: Base-Base interactions energy: -309.612 where: short stacking energy: -264.660 Base-Backbone interact. energy: 2.629 local terms energy: -484.246537 where: bonds (distance) C4'-P energy: -146.038 bonds (distance) P-C4' energy: -173.024 flat angles C4'-P-C4' energy: -110.881 flat angles P-C4'-P energy: -53.056 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2475.123532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.123532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.123532 (E_RNA) where: Base-Base interactions energy: -1550.989 where: short stacking energy: -940.094 Base-Backbone interact. energy: 1.908 local terms energy: -926.042774 where: bonds (distance) C4'-P energy: -185.280 bonds (distance) P-C4' energy: -172.756 flat angles C4'-P-C4' energy: -216.893 flat angles P-C4'-P energy: -131.636 tors. eta vs tors. theta energy: -219.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2312.078560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.078560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.078560 (E_RNA) where: Base-Base interactions energy: -1434.818 where: short stacking energy: -904.865 Base-Backbone interact. energy: -6.203 local terms energy: -871.057031 where: bonds (distance) C4'-P energy: -166.911 bonds (distance) P-C4' energy: -165.848 flat angles C4'-P-C4' energy: -200.676 flat angles P-C4'-P energy: -128.616 tors. eta vs tors. theta energy: -209.005 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: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2126.045915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.045915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.045915 (E_RNA) where: Base-Base interactions energy: -1298.256 where: short stacking energy: -798.812 Base-Backbone interact. energy: -2.760 local terms energy: -825.030038 where: bonds (distance) C4'-P energy: -176.622 bonds (distance) P-C4' energy: -169.293 flat angles C4'-P-C4' energy: -174.184 flat angles P-C4'-P energy: -118.030 tors. eta vs tors. theta energy: -186.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1912.438086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.438086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.438086 (E_RNA) where: Base-Base interactions energy: -1145.891 where: short stacking energy: -714.067 Base-Backbone interact. energy: -0.515 local terms energy: -766.032076 where: bonds (distance) C4'-P energy: -138.411 bonds (distance) P-C4' energy: -183.543 flat angles C4'-P-C4' energy: -182.686 flat angles P-C4'-P energy: -124.281 tors. eta vs tors. theta energy: -137.111 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1595.384210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.384210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.384210 (E_RNA) where: Base-Base interactions energy: -860.926 where: short stacking energy: -575.951 Base-Backbone interact. energy: -1.723 local terms energy: -732.734963 where: bonds (distance) C4'-P energy: -179.634 bonds (distance) P-C4' energy: -162.778 flat angles C4'-P-C4' energy: -164.811 flat angles P-C4'-P energy: -120.911 tors. eta vs tors. theta energy: -104.600 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: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1324.075115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.075115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.075115 (E_RNA) where: Base-Base interactions energy: -692.815 where: short stacking energy: -532.061 Base-Backbone interact. energy: 3.565 local terms energy: -634.825520 where: bonds (distance) C4'-P energy: -161.262 bonds (distance) P-C4' energy: -143.231 flat angles C4'-P-C4' energy: -149.109 flat angles P-C4'-P energy: -96.630 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: 7, replica: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1078.008139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.008139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.008139 (E_RNA) where: Base-Base interactions energy: -493.379 where: short stacking energy: -414.729 Base-Backbone interact. energy: 3.287 local terms energy: -587.916692 where: bonds (distance) C4'-P energy: -168.639 bonds (distance) P-C4' energy: -165.171 flat angles C4'-P-C4' energy: -145.178 flat angles P-C4'-P energy: -87.389 tors. eta vs tors. theta energy: -21.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -924.834012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.834012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.834012 (E_RNA) where: Base-Base interactions energy: -433.406 where: short stacking energy: -343.000 Base-Backbone interact. energy: 1.716 local terms energy: -493.143870 where: bonds (distance) C4'-P energy: -125.875 bonds (distance) P-C4' energy: -154.819 flat angles C4'-P-C4' energy: -131.545 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: 7.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -858.472675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.472675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.472675 (E_RNA) where: Base-Base interactions energy: -360.260 where: short stacking energy: -297.360 Base-Backbone interact. energy: -0.340 local terms energy: -497.872722 where: bonds (distance) C4'-P energy: -131.967 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -133.780 flat angles P-C4'-P energy: -68.732 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -770.391869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.391869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.391869 (E_RNA) where: Base-Base interactions energy: -307.685 where: short stacking energy: -276.654 Base-Backbone interact. energy: 0.234 local terms energy: -462.941496 where: bonds (distance) C4'-P energy: -115.406 bonds (distance) P-C4' energy: -147.925 flat angles C4'-P-C4' energy: -137.491 flat angles P-C4'-P energy: -77.233 tors. eta vs tors. theta energy: 15.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2456.186771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.186771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.186771 (E_RNA) where: Base-Base interactions energy: -1538.565 where: short stacking energy: -935.352 Base-Backbone interact. energy: -6.451 local terms energy: -911.170639 where: bonds (distance) C4'-P energy: -161.647 bonds (distance) P-C4' energy: -178.676 flat angles C4'-P-C4' energy: -187.069 flat angles P-C4'-P energy: -144.906 tors. eta vs tors. theta energy: -238.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2314.798566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.798566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.798566 (E_RNA) where: Base-Base interactions energy: -1419.182 where: short stacking energy: -888.681 Base-Backbone interact. energy: -3.974 local terms energy: -891.643337 where: bonds (distance) C4'-P energy: -190.071 bonds (distance) P-C4' energy: -183.238 flat angles C4'-P-C4' energy: -185.909 flat angles P-C4'-P energy: -135.389 tors. eta vs tors. theta energy: -197.036 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: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2166.942367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.942367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.942367 (E_RNA) where: Base-Base interactions energy: -1315.774 where: short stacking energy: -825.002 Base-Backbone interact. energy: -2.317 local terms energy: -848.851509 where: bonds (distance) C4'-P energy: -155.209 bonds (distance) P-C4' energy: -173.625 flat angles C4'-P-C4' energy: -195.969 flat angles P-C4'-P energy: -117.289 tors. eta vs tors. theta energy: -206.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1905.895850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.895850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.895850 (E_RNA) where: Base-Base interactions energy: -1130.257 where: short stacking energy: -696.647 Base-Backbone interact. energy: -3.098 local terms energy: -772.540365 where: bonds (distance) C4'-P energy: -165.805 bonds (distance) P-C4' energy: -169.959 flat angles C4'-P-C4' energy: -161.769 flat angles P-C4'-P energy: -131.033 tors. eta vs tors. theta energy: -143.973 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1612.981989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.981989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.981989 (E_RNA) where: Base-Base interactions energy: -922.298 where: short stacking energy: -636.646 Base-Backbone interact. energy: 0.794 local terms energy: -691.478515 where: bonds (distance) C4'-P energy: -146.142 bonds (distance) P-C4' energy: -155.875 flat angles C4'-P-C4' energy: -167.448 flat angles P-C4'-P energy: -112.076 tors. eta vs tors. theta energy: -109.937 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1296.865330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.865330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.865330 (E_RNA) where: Base-Base interactions energy: -641.274 where: short stacking energy: -456.084 Base-Backbone interact. energy: -2.298 local terms energy: -653.294121 where: bonds (distance) C4'-P energy: -171.069 bonds (distance) P-C4' energy: -168.173 flat angles C4'-P-C4' energy: -167.914 flat angles P-C4'-P energy: -94.779 tors. eta vs tors. theta energy: -51.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1152.213943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.213943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.213943 (E_RNA) where: Base-Base interactions energy: -574.068 where: short stacking energy: -454.590 Base-Backbone interact. energy: 2.053 local terms energy: -580.198674 where: bonds (distance) C4'-P energy: -138.806 bonds (distance) P-C4' energy: -164.361 flat angles C4'-P-C4' energy: -150.473 flat angles P-C4'-P energy: -74.669 tors. eta vs tors. theta energy: -51.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -954.657995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.657995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.657995 (E_RNA) where: Base-Base interactions energy: -430.987 where: short stacking energy: -379.343 Base-Backbone interact. energy: -0.828 local terms energy: -522.843086 where: bonds (distance) C4'-P energy: -153.957 bonds (distance) P-C4' energy: -133.906 flat angles C4'-P-C4' energy: -146.665 flat angles P-C4'-P energy: -67.491 tors. eta vs tors. theta energy: -20.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -850.935201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.935201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.935201 (E_RNA) where: Base-Base interactions energy: -362.078 where: short stacking energy: -290.309 Base-Backbone interact. energy: -2.628 local terms energy: -486.229509 where: bonds (distance) C4'-P energy: -165.953 bonds (distance) P-C4' energy: -152.802 flat angles C4'-P-C4' energy: -132.658 flat angles P-C4'-P energy: -58.882 tors. eta vs tors. theta energy: 24.066 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: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -778.455349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.455349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.455349 (E_RNA) where: Base-Base interactions energy: -295.702 where: short stacking energy: -257.178 Base-Backbone interact. energy: 0.301 local terms energy: -483.054490 where: bonds (distance) C4'-P energy: -139.393 bonds (distance) P-C4' energy: -149.559 flat angles C4'-P-C4' energy: -137.752 flat angles P-C4'-P energy: -71.397 tors. eta vs tors. theta energy: 15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2473.509891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.509891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.509891 (E_RNA) where: Base-Base interactions energy: -1502.894 where: short stacking energy: -929.043 Base-Backbone interact. energy: -2.425 local terms energy: -968.190454 where: bonds (distance) C4'-P energy: -184.257 bonds (distance) P-C4' energy: -197.795 flat angles C4'-P-C4' energy: -208.704 flat angles P-C4'-P energy: -144.787 tors. eta vs tors. theta energy: -232.647 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: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2343.457644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.457644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.457644 (E_RNA) where: Base-Base interactions energy: -1449.926 where: short stacking energy: -890.690 Base-Backbone interact. energy: -4.295 local terms energy: -889.236508 where: bonds (distance) C4'-P energy: -173.745 bonds (distance) P-C4' energy: -189.368 flat angles C4'-P-C4' energy: -194.733 flat angles P-C4'-P energy: -116.377 tors. eta vs tors. theta energy: -215.014 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: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2139.609160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.609160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.609160 (E_RNA) where: Base-Base interactions energy: -1293.842 where: short stacking energy: -778.155 Base-Backbone interact. energy: -1.463 local terms energy: -844.304008 where: bonds (distance) C4'-P energy: -178.174 bonds (distance) P-C4' energy: -161.115 flat angles C4'-P-C4' energy: -181.396 flat angles P-C4'-P energy: -122.544 tors. eta vs tors. theta energy: -201.076 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: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1901.871193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.871193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.871193 (E_RNA) where: Base-Base interactions energy: -1139.421 where: short stacking energy: -711.605 Base-Backbone interact. energy: 4.011 local terms energy: -766.461427 where: bonds (distance) C4'-P energy: -174.034 bonds (distance) P-C4' energy: -166.608 flat angles C4'-P-C4' energy: -176.089 flat angles P-C4'-P energy: -117.221 tors. eta vs tors. theta energy: -132.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1570.680003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.680003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.680003 (E_RNA) where: Base-Base interactions energy: -862.612 where: short stacking energy: -587.710 Base-Backbone interact. energy: -1.033 local terms energy: -707.035094 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -174.580 flat angles C4'-P-C4' energy: -179.558 flat angles P-C4'-P energy: -95.437 tors. eta vs tors. theta energy: -113.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1232.723612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.723612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.723612 (E_RNA) where: Base-Base interactions energy: -638.951 where: short stacking energy: -484.875 Base-Backbone interact. energy: 2.787 local terms energy: -596.560114 where: bonds (distance) C4'-P energy: -162.983 bonds (distance) P-C4' energy: -166.963 flat angles C4'-P-C4' energy: -145.892 flat angles P-C4'-P energy: -78.258 tors. eta vs tors. theta energy: -42.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1093.765145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.765145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.765145 (E_RNA) where: Base-Base interactions energy: -552.237 where: short stacking energy: -408.549 Base-Backbone interact. energy: 1.096 local terms energy: -542.624647 where: bonds (distance) C4'-P energy: -125.243 bonds (distance) P-C4' energy: -156.018 flat angles C4'-P-C4' energy: -134.693 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -35.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -972.414938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.414938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.414938 (E_RNA) where: Base-Base interactions energy: -436.703 where: short stacking energy: -385.870 Base-Backbone interact. energy: -1.049 local terms energy: -534.663845 where: bonds (distance) C4'-P energy: -132.402 bonds (distance) P-C4' energy: -150.296 flat angles C4'-P-C4' energy: -148.897 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: -18.430 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: 147 Temperature: 1.300000 Total energy: -855.680694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.680694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.680694 (E_RNA) where: Base-Base interactions energy: -392.648 where: short stacking energy: -345.619 Base-Backbone interact. energy: 2.746 local terms energy: -465.778633 where: bonds (distance) C4'-P energy: -146.813 bonds (distance) P-C4' energy: -139.661 flat angles C4'-P-C4' energy: -121.418 flat angles P-C4'-P energy: -62.887 tors. eta vs tors. theta energy: 5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -760.116139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.116139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.116139 (E_RNA) where: Base-Base interactions energy: -355.036 where: short stacking energy: -292.589 Base-Backbone interact. energy: 5.337 local terms energy: -410.416666 where: bonds (distance) C4'-P energy: -123.874 bonds (distance) P-C4' energy: -124.158 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2466.527581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.527581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.527581 (E_RNA) where: Base-Base interactions energy: -1508.394 where: short stacking energy: -949.060 Base-Backbone interact. energy: 0.464 local terms energy: -958.597529 where: bonds (distance) C4'-P energy: -187.175 bonds (distance) P-C4' energy: -188.947 flat angles C4'-P-C4' energy: -208.119 flat angles P-C4'-P energy: -135.734 tors. eta vs tors. theta energy: -238.622 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: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2318.357823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.357823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.357823 (E_RNA) where: Base-Base interactions energy: -1434.524 where: short stacking energy: -847.856 Base-Backbone interact. energy: -3.937 local terms energy: -879.896108 where: bonds (distance) C4'-P energy: -181.485 bonds (distance) P-C4' energy: -176.222 flat angles C4'-P-C4' energy: -201.481 flat angles P-C4'-P energy: -118.585 tors. eta vs tors. theta energy: -202.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2134.024078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.024078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.024078 (E_RNA) where: Base-Base interactions energy: -1298.018 where: short stacking energy: -800.069 Base-Backbone interact. energy: 0.472 local terms energy: -836.478251 where: bonds (distance) C4'-P energy: -161.685 bonds (distance) P-C4' energy: -181.289 flat angles C4'-P-C4' energy: -183.247 flat angles P-C4'-P energy: -126.309 tors. eta vs tors. theta energy: -183.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1934.417265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.417265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.417265 (E_RNA) where: Base-Base interactions energy: -1155.415 where: short stacking energy: -715.680 Base-Backbone interact. energy: -3.348 local terms energy: -775.654991 where: bonds (distance) C4'-P energy: -159.659 bonds (distance) P-C4' energy: -172.573 flat angles C4'-P-C4' energy: -188.855 flat angles P-C4'-P energy: -93.662 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: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1659.781481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.781481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.781481 (E_RNA) where: Base-Base interactions energy: -918.401 where: short stacking energy: -601.384 Base-Backbone interact. energy: -2.567 local terms energy: -738.813307 where: bonds (distance) C4'-P energy: -163.186 bonds (distance) P-C4' energy: -164.378 flat angles C4'-P-C4' energy: -200.173 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -111.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1218.974763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.974763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.974763 (E_RNA) where: Base-Base interactions energy: -637.514 where: short stacking energy: -491.037 Base-Backbone interact. energy: -4.460 local terms energy: -577.000774 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -149.133 flat angles C4'-P-C4' energy: -118.313 flat angles P-C4'-P energy: -109.679 tors. eta vs tors. theta energy: -59.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1128.989444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.989444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.989444 (E_RNA) where: Base-Base interactions energy: -526.498 where: short stacking energy: -405.358 Base-Backbone interact. energy: -2.337 local terms energy: -600.154690 where: bonds (distance) C4'-P energy: -155.347 bonds (distance) P-C4' energy: -154.861 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -92.110 tors. eta vs tors. theta energy: -50.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1022.669845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.669845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.669845 (E_RNA) where: Base-Base interactions energy: -489.796 where: short stacking energy: -331.333 Base-Backbone interact. energy: -4.676 local terms energy: -528.198276 where: bonds (distance) C4'-P energy: -147.359 bonds (distance) P-C4' energy: -151.799 flat angles C4'-P-C4' energy: -138.318 flat angles P-C4'-P energy: -67.563 tors. eta vs tors. theta energy: -23.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -865.109941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.109941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.109941 (E_RNA) where: Base-Base interactions energy: -352.313 where: short stacking energy: -320.155 Base-Backbone interact. energy: -0.457 local terms energy: -512.340375 where: bonds (distance) C4'-P energy: -158.100 bonds (distance) P-C4' energy: -155.521 flat angles C4'-P-C4' energy: -120.449 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: 7.178 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -781.564767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.564767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.564767 (E_RNA) where: Base-Base interactions energy: -302.723 where: short stacking energy: -253.536 Base-Backbone interact. energy: 1.234 local terms energy: -480.076038 where: bonds (distance) C4'-P energy: -127.937 bonds (distance) P-C4' energy: -163.464 flat angles C4'-P-C4' energy: -132.703 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: 22.826 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: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2417.164689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.164689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.164689 (E_RNA) where: Base-Base interactions energy: -1504.649 where: short stacking energy: -909.552 Base-Backbone interact. energy: 1.137 local terms energy: -913.652964 where: bonds (distance) C4'-P energy: -172.237 bonds (distance) P-C4' energy: -188.973 flat angles C4'-P-C4' energy: -184.753 flat angles P-C4'-P energy: -138.581 tors. eta vs tors. theta energy: -229.109 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: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2358.384934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.384934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.384934 (E_RNA) where: Base-Base interactions energy: -1467.138 where: short stacking energy: -883.517 Base-Backbone interact. energy: 0.697 local terms energy: -891.943874 where: bonds (distance) C4'-P energy: -165.194 bonds (distance) P-C4' energy: -169.246 flat angles C4'-P-C4' energy: -216.091 flat angles P-C4'-P energy: -120.819 tors. eta vs tors. theta energy: -220.594 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: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2107.012728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.012728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.012728 (E_RNA) where: Base-Base interactions energy: -1261.363 where: short stacking energy: -802.523 Base-Backbone interact. energy: -1.693 local terms energy: -843.956655 where: bonds (distance) C4'-P energy: -175.274 bonds (distance) P-C4' energy: -176.781 flat angles C4'-P-C4' energy: -178.333 flat angles P-C4'-P energy: -119.152 tors. eta vs tors. theta energy: -194.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1990.000226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.000226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.000226 (E_RNA) where: Base-Base interactions energy: -1204.117 where: short stacking energy: -726.587 Base-Backbone interact. energy: 0.041 local terms energy: -785.924692 where: bonds (distance) C4'-P energy: -161.587 bonds (distance) P-C4' energy: -159.182 flat angles C4'-P-C4' energy: -180.843 flat angles P-C4'-P energy: -117.050 tors. eta vs tors. theta energy: -167.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1607.100250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.100250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.100250 (E_RNA) where: Base-Base interactions energy: -887.047 where: short stacking energy: -587.355 Base-Backbone interact. energy: -1.479 local terms energy: -718.573872 where: bonds (distance) C4'-P energy: -163.410 bonds (distance) P-C4' energy: -146.938 flat angles C4'-P-C4' energy: -181.190 flat angles P-C4'-P energy: -115.430 tors. eta vs tors. theta energy: -111.606 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: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1260.244647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.244647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.244647 (E_RNA) where: Base-Base interactions energy: -607.122 where: short stacking energy: -455.321 Base-Backbone interact. energy: -5.216 local terms energy: -647.906098 where: bonds (distance) C4'-P energy: -139.547 bonds (distance) P-C4' energy: -173.322 flat angles C4'-P-C4' energy: -162.070 flat angles P-C4'-P energy: -104.582 tors. eta vs tors. theta energy: -68.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1100.409165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.409165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.409165 (E_RNA) where: Base-Base interactions energy: -560.554 where: short stacking energy: -431.144 Base-Backbone interact. energy: -1.549 local terms energy: -538.305894 where: bonds (distance) C4'-P energy: -142.718 bonds (distance) P-C4' energy: -134.023 flat angles C4'-P-C4' energy: -151.324 flat angles P-C4'-P energy: -66.219 tors. eta vs tors. theta energy: -44.022 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -942.548659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.548659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.548659 (E_RNA) where: Base-Base interactions energy: -438.075 where: short stacking energy: -332.580 Base-Backbone interact. energy: 3.540 local terms energy: -508.013439 where: bonds (distance) C4'-P energy: -145.609 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -142.907 flat angles P-C4'-P energy: -66.951 tors. eta vs tors. theta energy: 6.802 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: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -855.603930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.603930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.603930 (E_RNA) where: Base-Base interactions energy: -355.439 where: short stacking energy: -319.830 Base-Backbone interact. energy: 3.421 local terms energy: -503.586611 where: bonds (distance) C4'-P energy: -137.960 bonds (distance) P-C4' energy: -143.795 flat angles C4'-P-C4' energy: -127.313 flat angles P-C4'-P energy: -83.701 tors. eta vs tors. theta energy: -10.817 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: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -752.720044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.720044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.720044 (E_RNA) where: Base-Base interactions energy: -286.163 where: short stacking energy: -269.992 Base-Backbone interact. energy: -2.413 local terms energy: -464.143847 where: bonds (distance) C4'-P energy: -124.452 bonds (distance) P-C4' energy: -158.549 flat angles C4'-P-C4' energy: -132.751 flat angles P-C4'-P energy: -60.219 tors. eta vs tors. theta energy: 11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2497.809982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.809982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.809982 (E_RNA) where: Base-Base interactions energy: -1534.770 where: short stacking energy: -993.045 Base-Backbone interact. energy: -2.534 local terms energy: -960.505412 where: bonds (distance) C4'-P energy: -177.897 bonds (distance) P-C4' energy: -187.509 flat angles C4'-P-C4' energy: -209.359 flat angles P-C4'-P energy: -135.379 tors. eta vs tors. theta energy: -250.361 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: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2367.656812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.656812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.656812 (E_RNA) where: Base-Base interactions energy: -1451.476 where: short stacking energy: -872.954 Base-Backbone interact. energy: -3.972 local terms energy: -912.209613 where: bonds (distance) C4'-P energy: -161.084 bonds (distance) P-C4' energy: -183.986 flat angles C4'-P-C4' energy: -213.574 flat angles P-C4'-P energy: -126.302 tors. eta vs tors. theta energy: -227.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2157.345539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.345539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.345539 (E_RNA) where: Base-Base interactions energy: -1344.759 where: short stacking energy: -813.611 Base-Backbone interact. energy: 1.940 local terms energy: -814.527094 where: bonds (distance) C4'-P energy: -171.112 bonds (distance) P-C4' energy: -153.912 flat angles C4'-P-C4' energy: -198.934 flat angles P-C4'-P energy: -130.123 tors. eta vs tors. theta energy: -160.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2015.793709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.793709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.793709 (E_RNA) where: Base-Base interactions energy: -1247.601 where: short stacking energy: -798.712 Base-Backbone interact. energy: 0.547 local terms energy: -768.739678 where: bonds (distance) C4'-P energy: -143.584 bonds (distance) P-C4' energy: -162.367 flat angles C4'-P-C4' energy: -174.991 flat angles P-C4'-P energy: -109.489 tors. eta vs tors. theta energy: -178.308 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: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1549.562653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.562653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.562653 (E_RNA) where: Base-Base interactions energy: -854.991 where: short stacking energy: -580.540 Base-Backbone interact. energy: -1.578 local terms energy: -692.993902 where: bonds (distance) C4'-P energy: -168.650 bonds (distance) P-C4' energy: -165.029 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -105.141 tors. eta vs tors. theta energy: -87.897 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: 150 Temperature: 1.150000 Total energy: -1331.604676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.604676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.604676 (E_RNA) where: Base-Base interactions energy: -669.780 where: short stacking energy: -509.655 Base-Backbone interact. energy: -1.941 local terms energy: -659.883436 where: bonds (distance) C4'-P energy: -130.822 bonds (distance) P-C4' energy: -162.652 flat angles C4'-P-C4' energy: -167.568 flat angles P-C4'-P energy: -113.583 tors. eta vs tors. theta energy: -85.259 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: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1063.908384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.908384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.908384 (E_RNA) where: Base-Base interactions energy: -486.797 where: short stacking energy: -390.759 Base-Backbone interact. energy: 1.058 local terms energy: -578.169416 where: bonds (distance) C4'-P energy: -147.198 bonds (distance) P-C4' energy: -186.508 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -77.659 tors. eta vs tors. theta energy: -27.632 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: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -995.155448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.155448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.155448 (E_RNA) where: Base-Base interactions energy: -473.111 where: short stacking energy: -368.609 Base-Backbone interact. energy: 14.243 local terms energy: -536.287171 where: bonds (distance) C4'-P energy: -136.322 bonds (distance) P-C4' energy: -160.711 flat angles C4'-P-C4' energy: -144.217 flat angles P-C4'-P energy: -83.951 tors. eta vs tors. theta energy: -11.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -873.438637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.438637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.438637 (E_RNA) where: Base-Base interactions energy: -350.892 where: short stacking energy: -310.264 Base-Backbone interact. energy: 1.237 local terms energy: -523.783730 where: bonds (distance) C4'-P energy: -149.021 bonds (distance) P-C4' energy: -176.439 flat angles C4'-P-C4' energy: -133.064 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -12.833 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: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -751.012064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.012064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.012064 (E_RNA) where: Base-Base interactions energy: -287.084 where: short stacking energy: -246.759 Base-Backbone interact. energy: 2.369 local terms energy: -466.297357 where: bonds (distance) C4'-P energy: -149.193 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -117.409 flat angles P-C4'-P energy: -77.822 tors. eta vs tors. theta energy: 28.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2517.857856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.857856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.857856 (E_RNA) where: Base-Base interactions energy: -1548.371 where: short stacking energy: -988.130 Base-Backbone interact. energy: -1.238 local terms energy: -968.248858 where: bonds (distance) C4'-P energy: -180.499 bonds (distance) P-C4' energy: -199.504 flat angles C4'-P-C4' energy: -213.939 flat angles P-C4'-P energy: -124.515 tors. eta vs tors. theta energy: -249.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2360.973883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.973883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.973883 (E_RNA) where: Base-Base interactions energy: -1467.299 where: short stacking energy: -886.990 Base-Backbone interact. energy: 0.349 local terms energy: -894.024094 where: bonds (distance) C4'-P energy: -156.954 bonds (distance) P-C4' energy: -189.624 flat angles C4'-P-C4' energy: -201.517 flat angles P-C4'-P energy: -116.713 tors. eta vs tors. theta energy: -229.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2085.408788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.408788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.408788 (E_RNA) where: Base-Base interactions energy: -1300.845 where: short stacking energy: -766.025 Base-Backbone interact. energy: -3.154 local terms energy: -781.410152 where: bonds (distance) C4'-P energy: -155.608 bonds (distance) P-C4' energy: -172.267 flat angles C4'-P-C4' energy: -176.376 flat angles P-C4'-P energy: -108.543 tors. eta vs tors. theta energy: -168.616 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: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1981.270782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.270782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.270782 (E_RNA) where: Base-Base interactions energy: -1201.185 where: short stacking energy: -758.692 Base-Backbone interact. energy: -4.176 local terms energy: -775.909496 where: bonds (distance) C4'-P energy: -150.903 bonds (distance) P-C4' energy: -166.365 flat angles C4'-P-C4' energy: -194.133 flat angles P-C4'-P energy: -98.258 tors. eta vs tors. theta energy: -166.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1510.745105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.745105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.745105 (E_RNA) where: Base-Base interactions energy: -817.697 where: short stacking energy: -603.525 Base-Backbone interact. energy: -0.893 local terms energy: -692.155276 where: bonds (distance) C4'-P energy: -148.075 bonds (distance) P-C4' energy: -143.782 flat angles C4'-P-C4' energy: -178.984 flat angles P-C4'-P energy: -99.659 tors. eta vs tors. theta energy: -121.655 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: 151 Temperature: 1.150000 Total energy: -1337.737803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.737803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.737803 (E_RNA) where: Base-Base interactions energy: -674.374 where: short stacking energy: -502.146 Base-Backbone interact. energy: 1.614 local terms energy: -664.977309 where: bonds (distance) C4'-P energy: -152.242 bonds (distance) P-C4' energy: -157.904 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -112.618 tors. eta vs tors. theta energy: -93.992 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: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1121.158140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.158140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.158140 (E_RNA) where: Base-Base interactions energy: -522.329 where: short stacking energy: -418.743 Base-Backbone interact. energy: 2.584 local terms energy: -601.412871 where: bonds (distance) C4'-P energy: -151.275 bonds (distance) P-C4' energy: -171.877 flat angles C4'-P-C4' energy: -150.896 flat angles P-C4'-P energy: -85.899 tors. eta vs tors. theta energy: -41.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -997.747497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.747497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.747497 (E_RNA) where: Base-Base interactions energy: -475.673 where: short stacking energy: -403.308 Base-Backbone interact. energy: 1.612 local terms energy: -523.686917 where: bonds (distance) C4'-P energy: -123.636 bonds (distance) P-C4' energy: -166.060 flat angles C4'-P-C4' energy: -143.624 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -26.236 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: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -837.380446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.380446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.380446 (E_RNA) where: Base-Base interactions energy: -325.518 where: short stacking energy: -299.677 Base-Backbone interact. energy: 2.882 local terms energy: -514.744450 where: bonds (distance) C4'-P energy: -135.449 bonds (distance) P-C4' energy: -146.867 flat angles C4'-P-C4' energy: -147.245 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: 6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -756.786198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.786198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.786198 (E_RNA) where: Base-Base interactions energy: -297.779 where: short stacking energy: -269.879 Base-Backbone interact. energy: -1.503 local terms energy: -457.503652 where: bonds (distance) C4'-P energy: -115.834 bonds (distance) P-C4' energy: -154.616 flat angles C4'-P-C4' energy: -135.955 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: 19.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2506.567076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.567076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.567076 (E_RNA) where: Base-Base interactions energy: -1543.707 where: short stacking energy: -1000.302 Base-Backbone interact. energy: -5.742 local terms energy: -957.118087 where: bonds (distance) C4'-P energy: -170.063 bonds (distance) P-C4' energy: -185.460 flat angles C4'-P-C4' energy: -198.269 flat angles P-C4'-P energy: -143.795 tors. eta vs tors. theta energy: -259.530 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: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2332.771996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.771996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.771996 (E_RNA) where: Base-Base interactions energy: -1478.470 where: short stacking energy: -885.187 Base-Backbone interact. energy: -6.051 local terms energy: -848.251282 where: bonds (distance) C4'-P energy: -145.941 bonds (distance) P-C4' energy: -178.054 flat angles C4'-P-C4' energy: -186.095 flat angles P-C4'-P energy: -127.831 tors. eta vs tors. theta energy: -210.330 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: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2136.482760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.482760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.482760 (E_RNA) where: Base-Base interactions energy: -1297.441 where: short stacking energy: -778.171 Base-Backbone interact. energy: -4.254 local terms energy: -834.788359 where: bonds (distance) C4'-P energy: -160.605 bonds (distance) P-C4' energy: -183.518 flat angles C4'-P-C4' energy: -201.145 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -178.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1986.419879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.419879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.419879 (E_RNA) where: Base-Base interactions energy: -1153.395 where: short stacking energy: -711.292 Base-Backbone interact. energy: -4.231 local terms energy: -828.793357 where: bonds (distance) C4'-P energy: -166.798 bonds (distance) P-C4' energy: -190.209 flat angles C4'-P-C4' energy: -194.041 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -173.134 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: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1547.357778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.357778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.357778 (E_RNA) where: Base-Base interactions energy: -829.408 where: short stacking energy: -584.594 Base-Backbone interact. energy: 0.244 local terms energy: -718.194476 where: bonds (distance) C4'-P energy: -150.661 bonds (distance) P-C4' energy: -178.408 flat angles C4'-P-C4' energy: -157.587 flat angles P-C4'-P energy: -103.220 tors. eta vs tors. theta energy: -128.318 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: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1310.666238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.666238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.666238 (E_RNA) where: Base-Base interactions energy: -666.647 where: short stacking energy: -477.139 Base-Backbone interact. energy: 1.409 local terms energy: -645.427682 where: bonds (distance) C4'-P energy: -174.462 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -170.206 flat angles P-C4'-P energy: -87.249 tors. eta vs tors. theta energy: -78.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1054.335799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.335799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.335799 (E_RNA) where: Base-Base interactions energy: -491.050 where: short stacking energy: -393.892 Base-Backbone interact. energy: 0.755 local terms energy: -564.041169 where: bonds (distance) C4'-P energy: -146.219 bonds (distance) P-C4' energy: -158.020 flat angles C4'-P-C4' energy: -140.313 flat angles P-C4'-P energy: -81.581 tors. eta vs tors. theta energy: -37.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -908.687362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.687362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.687362 (E_RNA) where: Base-Base interactions energy: -387.059 where: short stacking energy: -342.552 Base-Backbone interact. energy: -1.732 local terms energy: -519.896670 where: bonds (distance) C4'-P energy: -127.648 bonds (distance) P-C4' energy: -161.002 flat angles C4'-P-C4' energy: -149.598 flat angles P-C4'-P energy: -69.858 tors. eta vs tors. theta energy: -11.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -827.857467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.857467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.857467 (E_RNA) where: Base-Base interactions energy: -343.306 where: short stacking energy: -302.603 Base-Backbone interact. energy: -0.152 local terms energy: -484.399354 where: bonds (distance) C4'-P energy: -138.958 bonds (distance) P-C4' energy: -154.455 flat angles C4'-P-C4' energy: -144.255 flat angles P-C4'-P energy: -55.343 tors. eta vs tors. theta energy: 8.613 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: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -777.250634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.250634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.250634 (E_RNA) where: Base-Base interactions energy: -323.916 where: short stacking energy: -292.949 Base-Backbone interact. energy: -1.474 local terms energy: -451.860642 where: bonds (distance) C4'-P energy: -137.496 bonds (distance) P-C4' energy: -124.276 flat angles C4'-P-C4' energy: -140.698 flat angles P-C4'-P energy: -65.603 tors. eta vs tors. theta energy: 16.213 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: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2462.080208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.080208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.080208 (E_RNA) where: Base-Base interactions energy: -1523.040 where: short stacking energy: -954.380 Base-Backbone interact. energy: -3.504 local terms energy: -935.536344 where: bonds (distance) C4'-P energy: -172.096 bonds (distance) P-C4' energy: -181.906 flat angles C4'-P-C4' energy: -200.571 flat angles P-C4'-P energy: -142.119 tors. eta vs tors. theta energy: -238.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2333.197592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.197592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.197592 (E_RNA) where: Base-Base interactions energy: -1401.147 where: short stacking energy: -860.394 Base-Backbone interact. energy: -3.854 local terms energy: -928.196230 where: bonds (distance) C4'-P energy: -186.112 bonds (distance) P-C4' energy: -193.353 flat angles C4'-P-C4' energy: -218.514 flat angles P-C4'-P energy: -113.208 tors. eta vs tors. theta energy: -217.010 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: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2210.427470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.427470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.427470 (E_RNA) where: Base-Base interactions energy: -1330.268 where: short stacking energy: -815.788 Base-Backbone interact. energy: -1.458 local terms energy: -878.700778 where: bonds (distance) C4'-P energy: -179.693 bonds (distance) P-C4' energy: -185.991 flat angles C4'-P-C4' energy: -199.635 flat angles P-C4'-P energy: -119.146 tors. eta vs tors. theta energy: -194.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1895.771044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.771044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.771044 (E_RNA) where: Base-Base interactions energy: -1136.694 where: short stacking energy: -696.234 Base-Backbone interact. energy: -1.388 local terms energy: -757.688102 where: bonds (distance) C4'-P energy: -159.095 bonds (distance) P-C4' energy: -170.266 flat angles C4'-P-C4' energy: -182.446 flat angles P-C4'-P energy: -120.320 tors. eta vs tors. theta energy: -125.562 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: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1482.208389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.208389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.208389 (E_RNA) where: Base-Base interactions energy: -801.266 where: short stacking energy: -559.805 Base-Backbone interact. energy: -4.016 local terms energy: -676.925969 where: bonds (distance) C4'-P energy: -153.863 bonds (distance) P-C4' energy: -180.190 flat angles C4'-P-C4' energy: -164.118 flat angles P-C4'-P energy: -86.963 tors. eta vs tors. theta energy: -91.791 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: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1417.892012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.892012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.892012 (E_RNA) where: Base-Base interactions energy: -737.542 where: short stacking energy: -525.167 Base-Backbone interact. energy: -1.456 local terms energy: -678.894035 where: bonds (distance) C4'-P energy: -157.339 bonds (distance) P-C4' energy: -185.057 flat angles C4'-P-C4' energy: -146.361 flat angles P-C4'-P energy: -100.626 tors. eta vs tors. theta energy: -89.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1116.069260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.069260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.069260 (E_RNA) where: Base-Base interactions energy: -513.165 where: short stacking energy: -384.398 Base-Backbone interact. energy: -6.319 local terms energy: -596.584701 where: bonds (distance) C4'-P energy: -151.908 bonds (distance) P-C4' energy: -147.684 flat angles C4'-P-C4' energy: -166.594 flat angles P-C4'-P energy: -95.853 tors. eta vs tors. theta energy: -34.547 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: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -981.577192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.577192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.577192 (E_RNA) where: Base-Base interactions energy: -480.625 where: short stacking energy: -395.028 Base-Backbone interact. energy: -3.738 local terms energy: -497.214182 where: bonds (distance) C4'-P energy: -143.173 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -109.863 flat angles P-C4'-P energy: -74.731 tors. eta vs tors. theta energy: -25.743 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: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -822.170860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.170860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.170860 (E_RNA) where: Base-Base interactions energy: -348.076 where: short stacking energy: -294.810 Base-Backbone interact. energy: 6.073 local terms energy: -480.168474 where: bonds (distance) C4'-P energy: -133.182 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -135.945 flat angles P-C4'-P energy: -76.724 tors. eta vs tors. theta energy: 0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -771.855708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.855708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.855708 (E_RNA) where: Base-Base interactions energy: -329.361 where: short stacking energy: -278.480 Base-Backbone interact. energy: -0.052 local terms energy: -442.442023 where: bonds (distance) C4'-P energy: -112.738 bonds (distance) P-C4' energy: -155.811 flat angles C4'-P-C4' energy: -141.210 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: 29.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2457.225605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.225605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.225605 (E_RNA) where: Base-Base interactions energy: -1514.375 where: short stacking energy: -922.234 Base-Backbone interact. energy: -5.473 local terms energy: -937.378444 where: bonds (distance) C4'-P energy: -185.108 bonds (distance) P-C4' energy: -185.088 flat angles C4'-P-C4' energy: -199.109 flat angles P-C4'-P energy: -135.064 tors. eta vs tors. theta energy: -233.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2308.152073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.152073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.152073 (E_RNA) where: Base-Base interactions energy: -1442.981 where: short stacking energy: -861.350 Base-Backbone interact. energy: -2.744 local terms energy: -862.426864 where: bonds (distance) C4'-P energy: -160.181 bonds (distance) P-C4' energy: -186.847 flat angles C4'-P-C4' energy: -193.732 flat angles P-C4'-P energy: -117.469 tors. eta vs tors. theta energy: -204.199 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: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2155.537802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.537802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.537802 (E_RNA) where: Base-Base interactions energy: -1324.543 where: short stacking energy: -801.977 Base-Backbone interact. energy: 7.144 local terms energy: -838.138613 where: bonds (distance) C4'-P energy: -171.141 bonds (distance) P-C4' energy: -176.997 flat angles C4'-P-C4' energy: -199.660 flat angles P-C4'-P energy: -114.822 tors. eta vs tors. theta energy: -175.519 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: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1969.517760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.517760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.517760 (E_RNA) where: Base-Base interactions energy: -1205.571 where: short stacking energy: -712.764 Base-Backbone interact. energy: -2.346 local terms energy: -761.600839 where: bonds (distance) C4'-P energy: -161.410 bonds (distance) P-C4' energy: -175.150 flat angles C4'-P-C4' energy: -180.178 flat angles P-C4'-P energy: -100.313 tors. eta vs tors. theta energy: -144.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1566.109406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.109406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.109406 (E_RNA) where: Base-Base interactions energy: -869.941 where: short stacking energy: -622.730 Base-Backbone interact. energy: -1.492 local terms energy: -694.676870 where: bonds (distance) C4'-P energy: -151.185 bonds (distance) P-C4' energy: -173.127 flat angles C4'-P-C4' energy: -150.019 flat angles P-C4'-P energy: -103.005 tors. eta vs tors. theta energy: -117.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1360.030026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.030026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.030026 (E_RNA) where: Base-Base interactions energy: -719.219 where: short stacking energy: -525.639 Base-Backbone interact. energy: 1.506 local terms energy: -642.316407 where: bonds (distance) C4'-P energy: -155.473 bonds (distance) P-C4' energy: -158.532 flat angles C4'-P-C4' energy: -130.264 flat angles P-C4'-P energy: -113.391 tors. eta vs tors. theta energy: -84.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1143.338203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.338203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.338203 (E_RNA) where: Base-Base interactions energy: -547.483 where: short stacking energy: -451.725 Base-Backbone interact. energy: -1.499 local terms energy: -594.356227 where: bonds (distance) C4'-P energy: -151.455 bonds (distance) P-C4' energy: -153.972 flat angles C4'-P-C4' energy: -161.379 flat angles P-C4'-P energy: -80.033 tors. eta vs tors. theta energy: -47.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -937.298681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.298681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.298681 (E_RNA) where: Base-Base interactions energy: -386.990 where: short stacking energy: -342.259 Base-Backbone interact. energy: 0.354 local terms energy: -550.662734 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -165.131 flat angles C4'-P-C4' energy: -131.876 flat angles P-C4'-P energy: -101.208 tors. eta vs tors. theta energy: -9.416 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: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -843.348814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.348814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.348814 (E_RNA) where: Base-Base interactions energy: -358.573 where: short stacking energy: -297.590 Base-Backbone interact. energy: 0.023 local terms energy: -484.799231 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -134.165 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -91.305 tors. eta vs tors. theta energy: 18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -743.113917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.113917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.113917 (E_RNA) where: Base-Base interactions energy: -284.819 where: short stacking energy: -266.569 Base-Backbone interact. energy: 2.148 local terms energy: -460.443522 where: bonds (distance) C4'-P energy: -150.961 bonds (distance) P-C4' energy: -155.956 flat angles C4'-P-C4' energy: -119.691 flat angles P-C4'-P energy: -56.056 tors. eta vs tors. theta energy: 22.222 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: 155 Temperature: 0.900000 Total energy: -2446.943800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.943800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.943800 (E_RNA) where: Base-Base interactions energy: -1507.726 where: short stacking energy: -920.804 Base-Backbone interact. energy: -6.905 local terms energy: -932.312297 where: bonds (distance) C4'-P energy: -183.735 bonds (distance) P-C4' energy: -179.870 flat angles C4'-P-C4' energy: -206.586 flat angles P-C4'-P energy: -131.824 tors. eta vs tors. theta energy: -230.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2288.954832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.954832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.954832 (E_RNA) where: Base-Base interactions energy: -1390.358 where: short stacking energy: -872.142 Base-Backbone interact. energy: -1.927 local terms energy: -896.670333 where: bonds (distance) C4'-P energy: -194.216 bonds (distance) P-C4' energy: -176.624 flat angles C4'-P-C4' energy: -186.174 flat angles P-C4'-P energy: -120.795 tors. eta vs tors. theta energy: -218.861 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2136.581211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.581211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.581211 (E_RNA) where: Base-Base interactions energy: -1324.481 where: short stacking energy: -830.996 Base-Backbone interact. energy: 0.485 local terms energy: -812.584614 where: bonds (distance) C4'-P energy: -166.803 bonds (distance) P-C4' energy: -174.271 flat angles C4'-P-C4' energy: -180.361 flat angles P-C4'-P energy: -105.019 tors. eta vs tors. theta energy: -186.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1900.084134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.084134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.084134 (E_RNA) where: Base-Base interactions energy: -1115.328 where: short stacking energy: -697.610 Base-Backbone interact. energy: 1.535 local terms energy: -786.291171 where: bonds (distance) C4'-P energy: -176.386 bonds (distance) P-C4' energy: -161.242 flat angles C4'-P-C4' energy: -179.885 flat angles P-C4'-P energy: -125.303 tors. eta vs tors. theta energy: -143.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1582.272472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.272472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.272472 (E_RNA) where: Base-Base interactions energy: -867.965 where: short stacking energy: -576.107 Base-Backbone interact. energy: -1.534 local terms energy: -712.773400 where: bonds (distance) C4'-P energy: -173.827 bonds (distance) P-C4' energy: -168.553 flat angles C4'-P-C4' energy: -160.555 flat angles P-C4'-P energy: -107.204 tors. eta vs tors. theta energy: -102.634 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: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1361.032960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.032960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.032960 (E_RNA) where: Base-Base interactions energy: -718.162 where: short stacking energy: -526.794 Base-Backbone interact. energy: 6.359 local terms energy: -649.230330 where: bonds (distance) C4'-P energy: -151.157 bonds (distance) P-C4' energy: -175.651 flat angles C4'-P-C4' energy: -140.287 flat angles P-C4'-P energy: -98.612 tors. eta vs tors. theta energy: -83.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1135.132372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.132372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.132372 (E_RNA) where: Base-Base interactions energy: -548.608 where: short stacking energy: -427.689 Base-Backbone interact. energy: -1.493 local terms energy: -585.030871 where: bonds (distance) C4'-P energy: -143.818 bonds (distance) P-C4' energy: -169.554 flat angles C4'-P-C4' energy: -153.435 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -34.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -888.309232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.309232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.309232 (E_RNA) where: Base-Base interactions energy: -363.614 where: short stacking energy: -337.398 Base-Backbone interact. energy: -1.613 local terms energy: -523.082031 where: bonds (distance) C4'-P energy: -146.348 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -141.673 flat angles P-C4'-P energy: -87.283 tors. eta vs tors. theta energy: 1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -867.980993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.980993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.980993 (E_RNA) where: Base-Base interactions energy: -359.140 where: short stacking energy: -295.786 Base-Backbone interact. energy: -3.212 local terms energy: -505.629166 where: bonds (distance) C4'-P energy: -136.172 bonds (distance) P-C4' energy: -157.671 flat angles C4'-P-C4' energy: -125.764 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -16.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -790.973653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.973653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.973653 (E_RNA) where: Base-Base interactions energy: -315.821 where: short stacking energy: -259.680 Base-Backbone interact. energy: -2.900 local terms energy: -472.252967 where: bonds (distance) C4'-P energy: -148.470 bonds (distance) P-C4' energy: -140.896 flat angles C4'-P-C4' energy: -142.586 flat angles P-C4'-P energy: -76.089 tors. eta vs tors. theta energy: 35.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2437.395514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.395514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.395514 (E_RNA) where: Base-Base interactions energy: -1501.655 where: short stacking energy: -927.698 Base-Backbone interact. energy: -3.564 local terms energy: -932.176797 where: bonds (distance) C4'-P energy: -190.009 bonds (distance) P-C4' energy: -180.326 flat angles C4'-P-C4' energy: -205.622 flat angles P-C4'-P energy: -118.809 tors. eta vs tors. theta energy: -237.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2318.172145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.172145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.172145 (E_RNA) where: Base-Base interactions energy: -1429.248 where: short stacking energy: -876.326 Base-Backbone interact. energy: -6.515 local terms energy: -882.408364 where: bonds (distance) C4'-P energy: -175.590 bonds (distance) P-C4' energy: -181.013 flat angles C4'-P-C4' energy: -180.022 flat angles P-C4'-P energy: -131.183 tors. eta vs tors. theta energy: -214.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2237.163207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.163207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.163207 (E_RNA) where: Base-Base interactions energy: -1348.939 where: short stacking energy: -802.790 Base-Backbone interact. energy: -4.861 local terms energy: -883.363137 where: bonds (distance) C4'-P energy: -187.643 bonds (distance) P-C4' energy: -176.021 flat angles C4'-P-C4' energy: -176.829 flat angles P-C4'-P energy: -137.050 tors. eta vs tors. theta energy: -205.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1898.185779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.185779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.185779 (E_RNA) where: Base-Base interactions energy: -1107.873 where: short stacking energy: -713.103 Base-Backbone interact. energy: -4.216 local terms energy: -786.096972 where: bonds (distance) C4'-P energy: -159.014 bonds (distance) P-C4' energy: -175.919 flat angles C4'-P-C4' energy: -180.416 flat angles P-C4'-P energy: -120.734 tors. eta vs tors. theta energy: -150.015 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: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1565.172439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.172439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.172439 (E_RNA) where: Base-Base interactions energy: -881.779 where: short stacking energy: -585.982 Base-Backbone interact. energy: 4.290 local terms energy: -687.683643 where: bonds (distance) C4'-P energy: -150.246 bonds (distance) P-C4' energy: -161.229 flat angles C4'-P-C4' energy: -163.681 flat angles P-C4'-P energy: -104.026 tors. eta vs tors. theta energy: -108.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1251.701824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.701824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.701824 (E_RNA) where: Base-Base interactions energy: -637.131 where: short stacking energy: -467.236 Base-Backbone interact. energy: -2.884 local terms energy: -611.685993 where: bonds (distance) C4'-P energy: -135.430 bonds (distance) P-C4' energy: -162.075 flat angles C4'-P-C4' energy: -149.200 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -63.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1188.193403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.193403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.193403 (E_RNA) where: Base-Base interactions energy: -593.908 where: short stacking energy: -425.767 Base-Backbone interact. energy: -4.134 local terms energy: -590.151551 where: bonds (distance) C4'-P energy: -150.675 bonds (distance) P-C4' energy: -166.424 flat angles C4'-P-C4' energy: -137.387 flat angles P-C4'-P energy: -85.835 tors. eta vs tors. theta energy: -49.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -905.660674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.660674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.660674 (E_RNA) where: Base-Base interactions energy: -359.357 where: short stacking energy: -339.980 Base-Backbone interact. energy: -3.812 local terms energy: -542.491671 where: bonds (distance) C4'-P energy: -154.290 bonds (distance) P-C4' energy: -151.575 flat angles C4'-P-C4' energy: -151.402 flat angles P-C4'-P energy: -75.218 tors. eta vs tors. theta energy: -10.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -889.341328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.341328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.341328 (E_RNA) where: Base-Base interactions energy: -344.688 where: short stacking energy: -313.876 Base-Backbone interact. energy: 5.129 local terms energy: -549.782354 where: bonds (distance) C4'-P energy: -149.550 bonds (distance) P-C4' energy: -175.450 flat angles C4'-P-C4' energy: -141.694 flat angles P-C4'-P energy: -94.765 tors. eta vs tors. theta energy: 11.677 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: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -771.191670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.191670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.191670 (E_RNA) where: Base-Base interactions energy: -330.920 where: short stacking energy: -253.149 Base-Backbone interact. energy: -2.259 local terms energy: -438.012777 where: bonds (distance) C4'-P energy: -130.540 bonds (distance) P-C4' energy: -141.764 flat angles C4'-P-C4' energy: -125.489 flat angles P-C4'-P energy: -68.208 tors. eta vs tors. theta energy: 27.988 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: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2414.875300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.875300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.875300 (E_RNA) where: Base-Base interactions energy: -1514.586 where: short stacking energy: -897.076 Base-Backbone interact. energy: -8.100 local terms energy: -892.189399 where: bonds (distance) C4'-P energy: -163.490 bonds (distance) P-C4' energy: -170.633 flat angles C4'-P-C4' energy: -195.265 flat angles P-C4'-P energy: -144.698 tors. eta vs tors. theta energy: -218.103 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: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2337.982933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.982933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.982933 (E_RNA) where: Base-Base interactions energy: -1463.668 where: short stacking energy: -909.251 Base-Backbone interact. energy: -7.165 local terms energy: -867.149445 where: bonds (distance) C4'-P energy: -162.571 bonds (distance) P-C4' energy: -166.282 flat angles C4'-P-C4' energy: -195.123 flat angles P-C4'-P energy: -132.030 tors. eta vs tors. theta energy: -211.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2208.375324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.375324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.375324 (E_RNA) where: Base-Base interactions energy: -1368.046 where: short stacking energy: -833.416 Base-Backbone interact. energy: -1.635 local terms energy: -838.694470 where: bonds (distance) C4'-P energy: -154.418 bonds (distance) P-C4' energy: -157.062 flat angles C4'-P-C4' energy: -191.438 flat angles P-C4'-P energy: -129.019 tors. eta vs tors. theta energy: -206.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1947.860897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.860897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.860897 (E_RNA) where: Base-Base interactions energy: -1131.319 where: short stacking energy: -705.293 Base-Backbone interact. energy: -0.318 local terms energy: -816.223862 where: bonds (distance) C4'-P energy: -176.285 bonds (distance) P-C4' energy: -185.201 flat angles C4'-P-C4' energy: -180.106 flat angles P-C4'-P energy: -114.742 tors. eta vs tors. theta energy: -159.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1621.912299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.912299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.912299 (E_RNA) where: Base-Base interactions energy: -859.641 where: short stacking energy: -619.484 Base-Backbone interact. energy: -2.400 local terms energy: -759.871817 where: bonds (distance) C4'-P energy: -156.618 bonds (distance) P-C4' energy: -180.576 flat angles C4'-P-C4' energy: -188.958 flat angles P-C4'-P energy: -114.387 tors. eta vs tors. theta energy: -119.334 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: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1302.333228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.333228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.333228 (E_RNA) where: Base-Base interactions energy: -626.175 where: short stacking energy: -484.764 Base-Backbone interact. energy: -1.895 local terms energy: -674.263359 where: bonds (distance) C4'-P energy: -156.804 bonds (distance) P-C4' energy: -185.003 flat angles C4'-P-C4' energy: -184.627 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -51.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1143.036015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.036015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.036015 (E_RNA) where: Base-Base interactions energy: -569.271 where: short stacking energy: -433.481 Base-Backbone interact. energy: 1.204 local terms energy: -574.969477 where: bonds (distance) C4'-P energy: -146.940 bonds (distance) P-C4' energy: -153.816 flat angles C4'-P-C4' energy: -152.111 flat angles P-C4'-P energy: -86.448 tors. eta vs tors. theta energy: -35.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -937.935981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.935981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.935981 (E_RNA) where: Base-Base interactions energy: -383.660 where: short stacking energy: -347.965 Base-Backbone interact. energy: -2.173 local terms energy: -552.102687 where: bonds (distance) C4'-P energy: -151.517 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -127.281 flat angles P-C4'-P energy: -93.598 tors. eta vs tors. theta energy: -20.546 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: 157 Temperature: 1.300000 Total energy: -863.132496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.132496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.132496 (E_RNA) where: Base-Base interactions energy: -361.108 where: short stacking energy: -294.425 Base-Backbone interact. energy: 4.648 local terms energy: -506.672512 where: bonds (distance) C4'-P energy: -148.289 bonds (distance) P-C4' energy: -155.737 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: 6.050 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: 157 Temperature: 1.350000 Total energy: -805.759604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.759604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.759604 (E_RNA) where: Base-Base interactions energy: -346.753 where: short stacking energy: -301.201 Base-Backbone interact. energy: 0.657 local terms energy: -459.663125 where: bonds (distance) C4'-P energy: -125.073 bonds (distance) P-C4' energy: -152.097 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -72.462 tors. eta vs tors. theta energy: -2.584 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: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2387.107046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.107046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.107046 (E_RNA) where: Base-Base interactions energy: -1477.479 where: short stacking energy: -885.280 Base-Backbone interact. energy: -4.732 local terms energy: -904.895628 where: bonds (distance) C4'-P energy: -188.472 bonds (distance) P-C4' energy: -173.043 flat angles C4'-P-C4' energy: -203.557 flat angles P-C4'-P energy: -120.271 tors. eta vs tors. theta energy: -219.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2331.908122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.908122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.908122 (E_RNA) where: Base-Base interactions energy: -1436.744 where: short stacking energy: -870.799 Base-Backbone interact. energy: -4.604 local terms energy: -890.559743 where: bonds (distance) C4'-P energy: -180.511 bonds (distance) P-C4' energy: -172.659 flat angles C4'-P-C4' energy: -195.117 flat angles P-C4'-P energy: -133.788 tors. eta vs tors. theta energy: -208.485 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: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2209.242083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.242083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.242083 (E_RNA) where: Base-Base interactions energy: -1361.668 where: short stacking energy: -799.955 Base-Backbone interact. energy: -3.510 local terms energy: -844.064203 where: bonds (distance) C4'-P energy: -171.480 bonds (distance) P-C4' energy: -159.876 flat angles C4'-P-C4' energy: -185.934 flat angles P-C4'-P energy: -126.961 tors. eta vs tors. theta energy: -199.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1939.992481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.992481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.992481 (E_RNA) where: Base-Base interactions energy: -1172.835 where: short stacking energy: -729.918 Base-Backbone interact. energy: -1.528 local terms energy: -765.629009 where: bonds (distance) C4'-P energy: -144.400 bonds (distance) P-C4' energy: -184.691 flat angles C4'-P-C4' energy: -177.712 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -165.197 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: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1602.285566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.285566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.285566 (E_RNA) where: Base-Base interactions energy: -893.379 where: short stacking energy: -612.384 Base-Backbone interact. energy: 0.987 local terms energy: -709.893426 where: bonds (distance) C4'-P energy: -156.501 bonds (distance) P-C4' energy: -163.395 flat angles C4'-P-C4' energy: -165.966 flat angles P-C4'-P energy: -110.469 tors. eta vs tors. theta energy: -113.563 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: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1268.030196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.030196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.030196 (E_RNA) where: Base-Base interactions energy: -644.331 where: short stacking energy: -492.805 Base-Backbone interact. energy: -2.563 local terms energy: -621.135344 where: bonds (distance) C4'-P energy: -151.649 bonds (distance) P-C4' energy: -167.500 flat angles C4'-P-C4' energy: -154.639 flat angles P-C4'-P energy: -87.517 tors. eta vs tors. theta energy: -59.831 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: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1193.953936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.953936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.953936 (E_RNA) where: Base-Base interactions energy: -638.063 where: short stacking energy: -421.360 Base-Backbone interact. energy: -0.969 local terms energy: -554.922753 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -161.444 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -80.293 tors. eta vs tors. theta energy: -42.565 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: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -981.227102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.227102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.227102 (E_RNA) where: Base-Base interactions energy: -428.094 where: short stacking energy: -337.027 Base-Backbone interact. energy: -1.588 local terms energy: -551.545243 where: bonds (distance) C4'-P energy: -138.658 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -99.178 tors. eta vs tors. theta energy: -8.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -867.162536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.162536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.162536 (E_RNA) where: Base-Base interactions energy: -342.412 where: short stacking energy: -300.481 Base-Backbone interact. energy: 0.399 local terms energy: -525.149761 where: bonds (distance) C4'-P energy: -143.055 bonds (distance) P-C4' energy: -165.610 flat angles C4'-P-C4' energy: -154.088 flat angles P-C4'-P energy: -82.804 tors. eta vs tors. theta energy: 20.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -808.700615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.700615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.700615 (E_RNA) where: Base-Base interactions energy: -352.611 where: short stacking energy: -314.274 Base-Backbone interact. energy: -2.536 local terms energy: -453.553435 where: bonds (distance) C4'-P energy: -136.045 bonds (distance) P-C4' energy: -124.290 flat angles C4'-P-C4' energy: -135.370 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2432.717774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.717774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.717774 (E_RNA) where: Base-Base interactions energy: -1538.841 where: short stacking energy: -945.231 Base-Backbone interact. energy: -1.764 local terms energy: -892.112824 where: bonds (distance) C4'-P energy: -180.065 bonds (distance) P-C4' energy: -166.310 flat angles C4'-P-C4' energy: -198.634 flat angles P-C4'-P energy: -130.257 tors. eta vs tors. theta energy: -216.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2341.939496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.939496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.939496 (E_RNA) where: Base-Base interactions energy: -1437.924 where: short stacking energy: -888.089 Base-Backbone interact. energy: 0.521 local terms energy: -904.536522 where: bonds (distance) C4'-P energy: -176.365 bonds (distance) P-C4' energy: -195.478 flat angles C4'-P-C4' energy: -196.127 flat angles P-C4'-P energy: -130.033 tors. eta vs tors. theta energy: -206.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2254.617199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.617199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.617199 (E_RNA) where: Base-Base interactions energy: -1371.723 where: short stacking energy: -821.281 Base-Backbone interact. energy: -4.793 local terms energy: -878.101743 where: bonds (distance) C4'-P energy: -183.933 bonds (distance) P-C4' energy: -176.459 flat angles C4'-P-C4' energy: -180.650 flat angles P-C4'-P energy: -132.893 tors. eta vs tors. theta energy: -204.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1963.506619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.506619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.506619 (E_RNA) where: Base-Base interactions energy: -1205.582 where: short stacking energy: -734.342 Base-Backbone interact. energy: 5.496 local terms energy: -763.420137 where: bonds (distance) C4'-P energy: -153.412 bonds (distance) P-C4' energy: -160.239 flat angles C4'-P-C4' energy: -176.707 flat angles P-C4'-P energy: -121.024 tors. eta vs tors. theta energy: -152.038 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: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1562.367442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.367442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.367442 (E_RNA) where: Base-Base interactions energy: -835.207 where: short stacking energy: -589.896 Base-Backbone interact. energy: -2.275 local terms energy: -724.885268 where: bonds (distance) C4'-P energy: -165.938 bonds (distance) P-C4' energy: -169.507 flat angles C4'-P-C4' energy: -173.287 flat angles P-C4'-P energy: -105.342 tors. eta vs tors. theta energy: -110.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1370.899424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.899424 (E_RNA) where: Base-Base interactions energy: -720.115 where: short stacking energy: -493.641 Base-Backbone interact. energy: 1.926 local terms energy: -652.710371 where: bonds (distance) C4'-P energy: -163.707 bonds (distance) P-C4' energy: -156.890 flat angles C4'-P-C4' energy: -144.899 flat angles P-C4'-P energy: -100.855 tors. eta vs tors. theta energy: -86.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1122.998961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.998961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.998961 (E_RNA) where: Base-Base interactions energy: -566.821 where: short stacking energy: -376.619 Base-Backbone interact. energy: -3.836 local terms energy: -552.342155 where: bonds (distance) C4'-P energy: -144.410 bonds (distance) P-C4' energy: -137.877 flat angles C4'-P-C4' energy: -151.137 flat angles P-C4'-P energy: -112.638 tors. eta vs tors. theta energy: -6.280 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: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -917.698187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.698187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.698187 (E_RNA) where: Base-Base interactions energy: -353.897 where: short stacking energy: -316.998 Base-Backbone interact. energy: -4.223 local terms energy: -559.578440 where: bonds (distance) C4'-P energy: -152.591 bonds (distance) P-C4' energy: -160.455 flat angles C4'-P-C4' energy: -147.756 flat angles P-C4'-P energy: -90.823 tors. eta vs tors. theta energy: -7.953 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: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -851.297112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.297112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.297112 (E_RNA) where: Base-Base interactions energy: -341.451 where: short stacking energy: -296.451 Base-Backbone interact. energy: -2.425 local terms energy: -507.420717 where: bonds (distance) C4'-P energy: -154.157 bonds (distance) P-C4' energy: -146.906 flat angles C4'-P-C4' energy: -107.307 flat angles P-C4'-P energy: -98.082 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -765.360065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.360065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.360065 (E_RNA) where: Base-Base interactions energy: -333.001 where: short stacking energy: -275.808 Base-Backbone interact. energy: 2.882 local terms energy: -435.241213 where: bonds (distance) C4'-P energy: -129.669 bonds (distance) P-C4' energy: -128.993 flat angles C4'-P-C4' energy: -125.586 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: 15.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2437.358816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.358816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.358816 (E_RNA) where: Base-Base interactions energy: -1499.459 where: short stacking energy: -923.093 Base-Backbone interact. energy: -1.115 local terms energy: -936.785567 where: bonds (distance) C4'-P energy: -174.907 bonds (distance) P-C4' energy: -184.184 flat angles C4'-P-C4' energy: -221.387 flat angles P-C4'-P energy: -132.308 tors. eta vs tors. theta energy: -223.999 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: 160 Temperature: 0.950000 Total energy: -2370.484763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.484763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.484763 (E_RNA) where: Base-Base interactions energy: -1480.454 where: short stacking energy: -887.007 Base-Backbone interact. energy: -5.238 local terms energy: -884.793117 where: bonds (distance) C4'-P energy: -166.189 bonds (distance) P-C4' energy: -188.821 flat angles C4'-P-C4' energy: -182.845 flat angles P-C4'-P energy: -124.757 tors. eta vs tors. theta energy: -222.181 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: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2254.078742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.078742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.078742 (E_RNA) where: Base-Base interactions energy: -1378.405 where: short stacking energy: -851.536 Base-Backbone interact. energy: -1.454 local terms energy: -874.219976 where: bonds (distance) C4'-P energy: -181.805 bonds (distance) P-C4' energy: -178.329 flat angles C4'-P-C4' energy: -186.853 flat angles P-C4'-P energy: -137.015 tors. eta vs tors. theta energy: -190.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1955.162619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.162619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.162619 (E_RNA) where: Base-Base interactions energy: -1167.671 where: short stacking energy: -727.868 Base-Backbone interact. energy: -3.158 local terms energy: -784.333127 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -166.658 flat angles C4'-P-C4' energy: -194.127 flat angles P-C4'-P energy: -118.075 tors. eta vs tors. theta energy: -148.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1524.167932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.167932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.167932 (E_RNA) where: Base-Base interactions energy: -854.777 where: short stacking energy: -585.146 Base-Backbone interact. energy: -2.871 local terms energy: -666.520004 where: bonds (distance) C4'-P energy: -127.592 bonds (distance) P-C4' energy: -163.688 flat angles C4'-P-C4' energy: -163.790 flat angles P-C4'-P energy: -111.060 tors. eta vs tors. theta energy: -100.390 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: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1316.569927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.569927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.569927 (E_RNA) where: Base-Base interactions energy: -647.961 where: short stacking energy: -446.854 Base-Backbone interact. energy: 1.718 local terms energy: -670.327275 where: bonds (distance) C4'-P energy: -160.354 bonds (distance) P-C4' energy: -168.085 flat angles C4'-P-C4' energy: -166.401 flat angles P-C4'-P energy: -111.110 tors. eta vs tors. theta energy: -64.378 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: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1131.057329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.057329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.057329 (E_RNA) where: Base-Base interactions energy: -505.835 where: short stacking energy: -390.197 Base-Backbone interact. energy: -0.460 local terms energy: -624.762234 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -171.092 flat angles C4'-P-C4' energy: -145.525 flat angles P-C4'-P energy: -101.987 tors. eta vs tors. theta energy: -53.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -938.862362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.862362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.862362 (E_RNA) where: Base-Base interactions energy: -417.927 where: short stacking energy: -348.434 Base-Backbone interact. energy: 1.184 local terms energy: -522.119226 where: bonds (distance) C4'-P energy: -156.536 bonds (distance) P-C4' energy: -155.979 flat angles C4'-P-C4' energy: -118.292 flat angles P-C4'-P energy: -90.064 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -864.268889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.268889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.268889 (E_RNA) where: Base-Base interactions energy: -392.049 where: short stacking energy: -300.189 Base-Backbone interact. energy: -0.978 local terms energy: -471.241795 where: bonds (distance) C4'-P energy: -159.954 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -110.540 flat angles P-C4'-P energy: -70.159 tors. eta vs tors. theta energy: 17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -733.618142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.618142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.618142 (E_RNA) where: Base-Base interactions energy: -273.642 where: short stacking energy: -248.976 Base-Backbone interact. energy: 1.299 local terms energy: -461.274453 where: bonds (distance) C4'-P energy: -137.279 bonds (distance) P-C4' energy: -136.226 flat angles C4'-P-C4' energy: -130.652 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: 17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2445.896927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.896927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.896927 (E_RNA) where: Base-Base interactions energy: -1520.157 where: short stacking energy: -942.294 Base-Backbone interact. energy: -0.854 local terms energy: -924.886528 where: bonds (distance) C4'-P energy: -173.147 bonds (distance) P-C4' energy: -189.219 flat angles C4'-P-C4' energy: -193.550 flat angles P-C4'-P energy: -132.301 tors. eta vs tors. theta energy: -236.669 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: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2364.254255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.254255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.254255 (E_RNA) where: Base-Base interactions energy: -1475.149 where: short stacking energy: -905.149 Base-Backbone interact. energy: 8.111 local terms energy: -897.215839 where: bonds (distance) C4'-P energy: -175.137 bonds (distance) P-C4' energy: -175.223 flat angles C4'-P-C4' energy: -203.482 flat angles P-C4'-P energy: -122.312 tors. eta vs tors. theta energy: -221.061 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: 161 Temperature: 1.000000 Total energy: -2159.358367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.358367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.358367 (E_RNA) where: Base-Base interactions energy: -1295.764 where: short stacking energy: -766.564 Base-Backbone interact. energy: -5.066 local terms energy: -858.528965 where: bonds (distance) C4'-P energy: -158.078 bonds (distance) P-C4' energy: -188.027 flat angles C4'-P-C4' energy: -204.706 flat angles P-C4'-P energy: -118.441 tors. eta vs tors. theta energy: -189.278 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: 161 Temperature: 1.050000 Total energy: -1912.851880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.851880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.851880 (E_RNA) where: Base-Base interactions energy: -1142.731 where: short stacking energy: -735.212 Base-Backbone interact. energy: -2.685 local terms energy: -767.436396 where: bonds (distance) C4'-P energy: -165.758 bonds (distance) P-C4' energy: -164.137 flat angles C4'-P-C4' energy: -182.106 flat angles P-C4'-P energy: -109.681 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: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1553.441063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.441063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.441063 (E_RNA) where: Base-Base interactions energy: -796.561 where: short stacking energy: -568.200 Base-Backbone interact. energy: 0.528 local terms energy: -757.408481 where: bonds (distance) C4'-P energy: -178.966 bonds (distance) P-C4' energy: -170.634 flat angles C4'-P-C4' energy: -180.995 flat angles P-C4'-P energy: -103.169 tors. eta vs tors. theta energy: -123.644 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: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1286.253475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.253475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.253475 (E_RNA) where: Base-Base interactions energy: -647.891 where: short stacking energy: -498.561 Base-Backbone interact. energy: -6.228 local terms energy: -632.135156 where: bonds (distance) C4'-P energy: -159.915 bonds (distance) P-C4' energy: -152.570 flat angles C4'-P-C4' energy: -158.282 flat angles P-C4'-P energy: -80.412 tors. eta vs tors. theta energy: -80.956 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: 161 Temperature: 1.200000 Total energy: -1164.119860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.119860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.119860 (E_RNA) where: Base-Base interactions energy: -573.873 where: short stacking energy: -449.037 Base-Backbone interact. energy: 1.600 local terms energy: -591.846762 where: bonds (distance) C4'-P energy: -144.654 bonds (distance) P-C4' energy: -162.815 flat angles C4'-P-C4' energy: -149.985 flat angles P-C4'-P energy: -87.388 tors. eta vs tors. theta energy: -47.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -918.328810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.328810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.328810 (E_RNA) where: Base-Base interactions energy: -388.723 where: short stacking energy: -348.075 Base-Backbone interact. energy: 3.833 local terms energy: -533.438721 where: bonds (distance) C4'-P energy: -146.631 bonds (distance) P-C4' energy: -151.780 flat angles C4'-P-C4' energy: -148.779 flat angles P-C4'-P energy: -71.623 tors. eta vs tors. theta energy: -14.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -916.157872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.157872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.157872 (E_RNA) where: Base-Base interactions energy: -413.467 where: short stacking energy: -326.546 Base-Backbone interact. energy: 2.104 local terms energy: -504.795484 where: bonds (distance) C4'-P energy: -152.899 bonds (distance) P-C4' energy: -153.941 flat angles C4'-P-C4' energy: -133.991 flat angles P-C4'-P energy: -68.827 tors. eta vs tors. theta energy: 4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -844.059281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.059281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.059281 (E_RNA) where: Base-Base interactions energy: -377.234 where: short stacking energy: -318.598 Base-Backbone interact. energy: 3.196 local terms energy: -470.021005 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -130.457 flat angles C4'-P-C4' energy: -132.688 flat angles P-C4'-P energy: -63.278 tors. eta vs tors. theta energy: 0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2486.150960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.150960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.150960 (E_RNA) where: Base-Base interactions energy: -1543.347 where: short stacking energy: -955.713 Base-Backbone interact. energy: -3.481 local terms energy: -939.323705 where: bonds (distance) C4'-P energy: -172.039 bonds (distance) P-C4' energy: -189.877 flat angles C4'-P-C4' energy: -201.250 flat angles P-C4'-P energy: -144.651 tors. eta vs tors. theta energy: -231.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2372.510597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.510597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.510597 (E_RNA) where: Base-Base interactions energy: -1467.322 where: short stacking energy: -905.291 Base-Backbone interact. energy: -7.144 local terms energy: -898.044405 where: bonds (distance) C4'-P energy: -159.222 bonds (distance) P-C4' energy: -185.825 flat angles C4'-P-C4' energy: -196.696 flat angles P-C4'-P energy: -133.538 tors. eta vs tors. theta energy: -222.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2207.339108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.339108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.339108 (E_RNA) where: Base-Base interactions energy: -1357.508 where: short stacking energy: -839.034 Base-Backbone interact. energy: 0.026 local terms energy: -849.856906 where: bonds (distance) C4'-P energy: -165.334 bonds (distance) P-C4' energy: -174.623 flat angles C4'-P-C4' energy: -170.180 flat angles P-C4'-P energy: -138.536 tors. eta vs tors. theta energy: -201.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1936.439694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.439694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.439694 (E_RNA) where: Base-Base interactions energy: -1158.559 where: short stacking energy: -736.424 Base-Backbone interact. energy: -3.224 local terms energy: -774.657423 where: bonds (distance) C4'-P energy: -158.654 bonds (distance) P-C4' energy: -172.868 flat angles C4'-P-C4' energy: -171.426 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -155.153 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: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1475.930565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.930565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.930565 (E_RNA) where: Base-Base interactions energy: -746.878 where: short stacking energy: -547.013 Base-Backbone interact. energy: -4.032 local terms energy: -725.020418 where: bonds (distance) C4'-P energy: -183.681 bonds (distance) P-C4' energy: -194.823 flat angles C4'-P-C4' energy: -154.517 flat angles P-C4'-P energy: -103.053 tors. eta vs tors. theta energy: -88.947 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: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1239.580515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.580515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.580515 (E_RNA) where: Base-Base interactions energy: -652.819 where: short stacking energy: -510.149 Base-Backbone interact. energy: 0.083 local terms energy: -586.844131 where: bonds (distance) C4'-P energy: -152.556 bonds (distance) P-C4' energy: -154.780 flat angles C4'-P-C4' energy: -111.466 flat angles P-C4'-P energy: -101.072 tors. eta vs tors. theta energy: -66.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1130.889420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.889420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.889420 (E_RNA) where: Base-Base interactions energy: -541.484 where: short stacking energy: -436.557 Base-Backbone interact. energy: -0.918 local terms energy: -588.487364 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -155.408 flat angles C4'-P-C4' energy: -143.104 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -55.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -942.903500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.903500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.903500 (E_RNA) where: Base-Base interactions energy: -404.545 where: short stacking energy: -371.858 Base-Backbone interact. energy: 0.564 local terms energy: -538.922738 where: bonds (distance) C4'-P energy: -151.582 bonds (distance) P-C4' energy: -142.774 flat angles C4'-P-C4' energy: -155.474 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -21.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -872.197706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.197706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.197706 (E_RNA) where: Base-Base interactions energy: -369.715 where: short stacking energy: -284.847 Base-Backbone interact. energy: 5.680 local terms energy: -508.161938 where: bonds (distance) C4'-P energy: -134.201 bonds (distance) P-C4' energy: -166.022 flat angles C4'-P-C4' energy: -127.963 flat angles P-C4'-P energy: -79.209 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -738.515417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.515417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.515417 (E_RNA) where: Base-Base interactions energy: -266.185 where: short stacking energy: -247.860 Base-Backbone interact. energy: 6.152 local terms energy: -478.481555 where: bonds (distance) C4'-P energy: -136.798 bonds (distance) P-C4' energy: -151.109 flat angles C4'-P-C4' energy: -149.552 flat angles P-C4'-P energy: -67.167 tors. eta vs tors. theta energy: 26.144 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: 163 Temperature: 0.900000 Total energy: -2514.987067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.987067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.987067 (E_RNA) where: Base-Base interactions energy: -1568.014 where: short stacking energy: -941.478 Base-Backbone interact. energy: -5.226 local terms energy: -941.747013 where: bonds (distance) C4'-P energy: -175.456 bonds (distance) P-C4' energy: -186.464 flat angles C4'-P-C4' energy: -203.466 flat angles P-C4'-P energy: -136.755 tors. eta vs tors. theta energy: -239.607 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: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2405.056423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.056423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.056423 (E_RNA) where: Base-Base interactions energy: -1485.543 where: short stacking energy: -900.254 Base-Backbone interact. energy: -5.732 local terms energy: -913.781347 where: bonds (distance) C4'-P energy: -184.900 bonds (distance) P-C4' energy: -175.772 flat angles C4'-P-C4' energy: -183.266 flat angles P-C4'-P energy: -128.380 tors. eta vs tors. theta energy: -241.464 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: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2180.716496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.716496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.716496 (E_RNA) where: Base-Base interactions energy: -1347.875 where: short stacking energy: -833.525 Base-Backbone interact. energy: -4.058 local terms energy: -828.783045 where: bonds (distance) C4'-P energy: -154.328 bonds (distance) P-C4' energy: -157.236 flat angles C4'-P-C4' energy: -194.857 flat angles P-C4'-P energy: -130.268 tors. eta vs tors. theta energy: -192.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1911.536569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.536569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.536569 (E_RNA) where: Base-Base interactions energy: -1127.868 where: short stacking energy: -707.075 Base-Backbone interact. energy: -1.754 local terms energy: -781.914358 where: bonds (distance) C4'-P energy: -159.059 bonds (distance) P-C4' energy: -169.984 flat angles C4'-P-C4' energy: -172.199 flat angles P-C4'-P energy: -126.432 tors. eta vs tors. theta energy: -154.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1402.224937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.224937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.224937 (E_RNA) where: Base-Base interactions energy: -740.499 where: short stacking energy: -527.905 Base-Backbone interact. energy: 1.393 local terms energy: -663.119087 where: bonds (distance) C4'-P energy: -168.495 bonds (distance) P-C4' energy: -177.999 flat angles C4'-P-C4' energy: -153.187 flat angles P-C4'-P energy: -92.514 tors. eta vs tors. theta energy: -70.925 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: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1241.093361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.093361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.093361 (E_RNA) where: Base-Base interactions energy: -599.499 where: short stacking energy: -479.679 Base-Backbone interact. energy: -1.193 local terms energy: -640.401841 where: bonds (distance) C4'-P energy: -157.785 bonds (distance) P-C4' energy: -154.749 flat angles C4'-P-C4' energy: -159.720 flat angles P-C4'-P energy: -108.877 tors. eta vs tors. theta energy: -59.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1171.748158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.748158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.748158 (E_RNA) where: Base-Base interactions energy: -591.862 where: short stacking energy: -436.143 Base-Backbone interact. energy: 4.719 local terms energy: -584.604718 where: bonds (distance) C4'-P energy: -149.648 bonds (distance) P-C4' energy: -151.740 flat angles C4'-P-C4' energy: -128.623 flat angles P-C4'-P energy: -96.186 tors. eta vs tors. theta energy: -58.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -955.870219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.870219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.870219 (E_RNA) where: Base-Base interactions energy: -398.772 where: short stacking energy: -354.305 Base-Backbone interact. energy: 3.303 local terms energy: -560.400378 where: bonds (distance) C4'-P energy: -165.558 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -144.076 flat angles P-C4'-P energy: -87.069 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -825.003738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.003738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.003738 (E_RNA) where: Base-Base interactions energy: -358.660 where: short stacking energy: -314.003 Base-Backbone interact. energy: -3.320 local terms energy: -463.023110 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -140.747 flat angles C4'-P-C4' energy: -131.034 flat angles P-C4'-P energy: -56.937 tors. eta vs tors. theta energy: 6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -760.432737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.432737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.432737 (E_RNA) where: Base-Base interactions energy: -267.753 where: short stacking energy: -245.069 Base-Backbone interact. energy: -0.917 local terms energy: -491.762787 where: bonds (distance) C4'-P energy: -146.302 bonds (distance) P-C4' energy: -147.515 flat angles C4'-P-C4' energy: -125.297 flat angles P-C4'-P energy: -75.922 tors. eta vs tors. theta energy: 3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2521.712624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.712624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.712624 (E_RNA) where: Base-Base interactions energy: -1552.858 where: short stacking energy: -976.629 Base-Backbone interact. energy: -6.841 local terms energy: -962.013679 where: bonds (distance) C4'-P energy: -183.161 bonds (distance) P-C4' energy: -169.462 flat angles C4'-P-C4' energy: -211.147 flat angles P-C4'-P energy: -149.039 tors. eta vs tors. theta energy: -249.205 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: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2368.985658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.985658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.985658 (E_RNA) where: Base-Base interactions energy: -1452.377 where: short stacking energy: -892.312 Base-Backbone interact. energy: -1.234 local terms energy: -915.374798 where: bonds (distance) C4'-P energy: -169.391 bonds (distance) P-C4' energy: -199.229 flat angles C4'-P-C4' energy: -200.119 flat angles P-C4'-P energy: -117.747 tors. eta vs tors. theta energy: -228.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2170.376278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.376278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.376278 (E_RNA) where: Base-Base interactions energy: -1327.089 where: short stacking energy: -794.961 Base-Backbone interact. energy: -2.008 local terms energy: -841.279713 where: bonds (distance) C4'-P energy: -170.936 bonds (distance) P-C4' energy: -169.229 flat angles C4'-P-C4' energy: -190.513 flat angles P-C4'-P energy: -127.991 tors. eta vs tors. theta energy: -182.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1875.010877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.010877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.010877 (E_RNA) where: Base-Base interactions energy: -1103.371 where: short stacking energy: -722.069 Base-Backbone interact. energy: -1.991 local terms energy: -769.648702 where: bonds (distance) C4'-P energy: -152.046 bonds (distance) P-C4' energy: -174.706 flat angles C4'-P-C4' energy: -192.255 flat angles P-C4'-P energy: -97.078 tors. eta vs tors. theta energy: -153.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1434.792581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.792581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.792581 (E_RNA) where: Base-Base interactions energy: -724.068 where: short stacking energy: -515.143 Base-Backbone interact. energy: -2.332 local terms energy: -708.392996 where: bonds (distance) C4'-P energy: -169.966 bonds (distance) P-C4' energy: -174.116 flat angles C4'-P-C4' energy: -174.414 flat angles P-C4'-P energy: -107.569 tors. eta vs tors. theta energy: -82.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1264.535104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.535104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.535104 (E_RNA) where: Base-Base interactions energy: -608.907 where: short stacking energy: -467.910 Base-Backbone interact. energy: 3.319 local terms energy: -658.947163 where: bonds (distance) C4'-P energy: -163.932 bonds (distance) P-C4' energy: -164.567 flat angles C4'-P-C4' energy: -165.531 flat angles P-C4'-P energy: -101.131 tors. eta vs tors. theta energy: -63.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1121.032422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.032422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.032422 (E_RNA) where: Base-Base interactions energy: -559.086 where: short stacking energy: -413.287 Base-Backbone interact. energy: -4.134 local terms energy: -557.812886 where: bonds (distance) C4'-P energy: -112.441 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -152.586 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -54.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -962.539740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.539740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.539740 (E_RNA) where: Base-Base interactions energy: -411.090 where: short stacking energy: -371.748 Base-Backbone interact. energy: -2.043 local terms energy: -549.406161 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -164.348 flat angles C4'-P-C4' energy: -117.310 flat angles P-C4'-P energy: -93.274 tors. eta vs tors. theta energy: -31.173 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: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -825.455487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.455487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.455487 (E_RNA) where: Base-Base interactions energy: -339.705 where: short stacking energy: -312.599 Base-Backbone interact. energy: 3.117 local terms energy: -488.867544 where: bonds (distance) C4'-P energy: -151.982 bonds (distance) P-C4' energy: -145.763 flat angles C4'-P-C4' energy: -124.706 flat angles P-C4'-P energy: -61.333 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -746.020314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.020314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.020314 (E_RNA) where: Base-Base interactions energy: -275.375 where: short stacking energy: -266.106 Base-Backbone interact. energy: -1.546 local terms energy: -469.099319 where: bonds (distance) C4'-P energy: -147.061 bonds (distance) P-C4' energy: -125.804 flat angles C4'-P-C4' energy: -147.490 flat angles P-C4'-P energy: -72.560 tors. eta vs tors. theta energy: 23.817 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: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2529.401276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.401276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.401276 (E_RNA) where: Base-Base interactions energy: -1584.793 where: short stacking energy: -980.286 Base-Backbone interact. energy: -5.224 local terms energy: -939.384175 where: bonds (distance) C4'-P energy: -169.112 bonds (distance) P-C4' energy: -187.892 flat angles C4'-P-C4' energy: -209.250 flat angles P-C4'-P energy: -127.673 tors. eta vs tors. theta energy: -245.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2433.002598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.002598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.002598 (E_RNA) where: Base-Base interactions energy: -1491.409 where: short stacking energy: -929.068 Base-Backbone interact. energy: -5.945 local terms energy: -935.648499 where: bonds (distance) C4'-P energy: -166.540 bonds (distance) P-C4' energy: -191.364 flat angles C4'-P-C4' energy: -197.043 flat angles P-C4'-P energy: -138.050 tors. eta vs tors. theta energy: -242.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2125.544641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.544641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.544641 (E_RNA) where: Base-Base interactions energy: -1297.547 where: short stacking energy: -789.683 Base-Backbone interact. energy: 0.949 local terms energy: -828.947000 where: bonds (distance) C4'-P energy: -175.352 bonds (distance) P-C4' energy: -174.117 flat angles C4'-P-C4' energy: -179.675 flat angles P-C4'-P energy: -114.747 tors. eta vs tors. theta energy: -185.056 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: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1898.081473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.081473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.081473 (E_RNA) where: Base-Base interactions energy: -1105.538 where: short stacking energy: -691.256 Base-Backbone interact. energy: -1.716 local terms energy: -790.827431 where: bonds (distance) C4'-P energy: -169.015 bonds (distance) P-C4' energy: -168.017 flat angles C4'-P-C4' energy: -191.367 flat angles P-C4'-P energy: -116.009 tors. eta vs tors. theta energy: -146.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1467.271400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.271400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.271400 (E_RNA) where: Base-Base interactions energy: -821.838 where: short stacking energy: -608.431 Base-Backbone interact. energy: -1.482 local terms energy: -643.951419 where: bonds (distance) C4'-P energy: -159.532 bonds (distance) P-C4' energy: -153.983 flat angles C4'-P-C4' energy: -153.490 flat angles P-C4'-P energy: -89.741 tors. eta vs tors. theta energy: -87.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1234.073401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.073401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.073401 (E_RNA) where: Base-Base interactions energy: -606.193 where: short stacking energy: -463.320 Base-Backbone interact. energy: 3.348 local terms energy: -631.228811 where: bonds (distance) C4'-P energy: -181.007 bonds (distance) P-C4' energy: -172.605 flat angles C4'-P-C4' energy: -152.198 flat angles P-C4'-P energy: -72.777 tors. eta vs tors. theta energy: -52.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1126.636465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.636465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.636465 (E_RNA) where: Base-Base interactions energy: -544.383 where: short stacking energy: -375.534 Base-Backbone interact. energy: -1.771 local terms energy: -580.482396 where: bonds (distance) C4'-P energy: -135.004 bonds (distance) P-C4' energy: -178.039 flat angles C4'-P-C4' energy: -138.046 flat angles P-C4'-P energy: -90.590 tors. eta vs tors. theta energy: -38.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -950.556766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.556766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.556766 (E_RNA) where: Base-Base interactions energy: -410.439 where: short stacking energy: -387.395 Base-Backbone interact. energy: 2.204 local terms energy: -542.322584 where: bonds (distance) C4'-P energy: -145.484 bonds (distance) P-C4' energy: -156.960 flat angles C4'-P-C4' energy: -132.000 flat angles P-C4'-P energy: -81.831 tors. eta vs tors. theta energy: -26.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -850.971172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.971172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.971172 (E_RNA) where: Base-Base interactions energy: -342.079 where: short stacking energy: -323.720 Base-Backbone interact. energy: 6.433 local terms energy: -515.325317 where: bonds (distance) C4'-P energy: -138.072 bonds (distance) P-C4' energy: -158.467 flat angles C4'-P-C4' energy: -133.136 flat angles P-C4'-P energy: -76.254 tors. eta vs tors. theta energy: -9.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -763.742390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.742390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.742390 (E_RNA) where: Base-Base interactions energy: -278.436 where: short stacking energy: -257.505 Base-Backbone interact. energy: -4.804 local terms energy: -480.502511 where: bonds (distance) C4'-P energy: -136.489 bonds (distance) P-C4' energy: -154.985 flat angles C4'-P-C4' energy: -127.496 flat angles P-C4'-P energy: -72.105 tors. eta vs tors. theta energy: 10.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2495.182069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.182069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.182069 (E_RNA) where: Base-Base interactions energy: -1538.872 where: short stacking energy: -937.109 Base-Backbone interact. energy: -4.223 local terms energy: -952.087905 where: bonds (distance) C4'-P energy: -183.395 bonds (distance) P-C4' energy: -188.095 flat angles C4'-P-C4' energy: -202.743 flat angles P-C4'-P energy: -137.804 tors. eta vs tors. theta energy: -240.050 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2373.581602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.581602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.581602 (E_RNA) where: Base-Base interactions energy: -1448.796 where: short stacking energy: -892.785 Base-Backbone interact. energy: -1.999 local terms energy: -922.786670 where: bonds (distance) C4'-P energy: -169.296 bonds (distance) P-C4' energy: -184.668 flat angles C4'-P-C4' energy: -211.644 flat angles P-C4'-P energy: -124.603 tors. eta vs tors. theta energy: -232.575 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: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2149.415265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.415265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.415265 (E_RNA) where: Base-Base interactions energy: -1306.624 where: short stacking energy: -793.433 Base-Backbone interact. energy: 2.463 local terms energy: -845.254139 where: bonds (distance) C4'-P energy: -168.142 bonds (distance) P-C4' energy: -162.847 flat angles C4'-P-C4' energy: -188.708 flat angles P-C4'-P energy: -137.940 tors. eta vs tors. theta energy: -187.616 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: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1895.016142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.016142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.016142 (E_RNA) where: Base-Base interactions energy: -1141.887 where: short stacking energy: -662.773 Base-Backbone interact. energy: -5.857 local terms energy: -747.272804 where: bonds (distance) C4'-P energy: -164.182 bonds (distance) P-C4' energy: -165.811 flat angles C4'-P-C4' energy: -182.356 flat angles P-C4'-P energy: -105.005 tors. eta vs tors. theta energy: -129.918 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: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1530.782532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.782532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.782532 (E_RNA) where: Base-Base interactions energy: -859.401 where: short stacking energy: -602.867 Base-Backbone interact. energy: 4.236 local terms energy: -675.617413 where: bonds (distance) C4'-P energy: -146.220 bonds (distance) P-C4' energy: -177.939 flat angles C4'-P-C4' energy: -164.863 flat angles P-C4'-P energy: -80.161 tors. eta vs tors. theta energy: -106.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1371.021984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.021984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.021984 (E_RNA) where: Base-Base interactions energy: -747.707 where: short stacking energy: -538.613 Base-Backbone interact. energy: -2.930 local terms energy: -620.385246 where: bonds (distance) C4'-P energy: -136.578 bonds (distance) P-C4' energy: -154.642 flat angles C4'-P-C4' energy: -160.424 flat angles P-C4'-P energy: -89.622 tors. eta vs tors. theta energy: -79.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1186.254920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.254920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.254920 (E_RNA) where: Base-Base interactions energy: -582.539 where: short stacking energy: -419.093 Base-Backbone interact. energy: 6.259 local terms energy: -609.974961 where: bonds (distance) C4'-P energy: -150.171 bonds (distance) P-C4' energy: -158.410 flat angles C4'-P-C4' energy: -166.836 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -48.807 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: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -934.533797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.533797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.533797 (E_RNA) where: Base-Base interactions energy: -387.198 where: short stacking energy: -341.089 Base-Backbone interact. energy: 4.114 local terms energy: -551.449611 where: bonds (distance) C4'-P energy: -150.729 bonds (distance) P-C4' energy: -165.668 flat angles C4'-P-C4' energy: -123.719 flat angles P-C4'-P energy: -90.763 tors. eta vs tors. theta energy: -20.571 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: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -831.418471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.418471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.418471 (E_RNA) where: Base-Base interactions energy: -342.809 where: short stacking energy: -282.239 Base-Backbone interact. energy: 1.615 local terms energy: -490.224503 where: bonds (distance) C4'-P energy: -146.100 bonds (distance) P-C4' energy: -167.292 flat angles C4'-P-C4' energy: -92.800 flat angles P-C4'-P energy: -95.345 tors. eta vs tors. theta energy: 11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -745.888144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.888144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.888144 (E_RNA) where: Base-Base interactions energy: -283.590 where: short stacking energy: -252.231 Base-Backbone interact. energy: 4.442 local terms energy: -466.740179 where: bonds (distance) C4'-P energy: -143.378 bonds (distance) P-C4' energy: -150.179 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -71.560 tors. eta vs tors. theta energy: 15.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2457.495005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.495005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.495005 (E_RNA) where: Base-Base interactions energy: -1504.086 where: short stacking energy: -939.530 Base-Backbone interact. energy: -6.241 local terms energy: -947.167889 where: bonds (distance) C4'-P energy: -170.938 bonds (distance) P-C4' energy: -192.157 flat angles C4'-P-C4' energy: -205.062 flat angles P-C4'-P energy: -136.927 tors. eta vs tors. theta energy: -242.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2336.795237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.795237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.795237 (E_RNA) where: Base-Base interactions energy: -1426.115 where: short stacking energy: -860.006 Base-Backbone interact. energy: -2.918 local terms energy: -907.762477 where: bonds (distance) C4'-P energy: -173.543 bonds (distance) P-C4' energy: -179.886 flat angles C4'-P-C4' energy: -196.938 flat angles P-C4'-P energy: -139.059 tors. eta vs tors. theta energy: -218.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2218.034768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.034768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.034768 (E_RNA) where: Base-Base interactions energy: -1329.417 where: short stacking energy: -816.930 Base-Backbone interact. energy: -6.717 local terms energy: -881.901026 where: bonds (distance) C4'-P energy: -183.130 bonds (distance) P-C4' energy: -170.467 flat angles C4'-P-C4' energy: -196.374 flat angles P-C4'-P energy: -125.781 tors. eta vs tors. theta energy: -206.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1944.741222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.741222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.741222 (E_RNA) where: Base-Base interactions energy: -1165.063 where: short stacking energy: -677.962 Base-Backbone interact. energy: -1.225 local terms energy: -778.453276 where: bonds (distance) C4'-P energy: -171.265 bonds (distance) P-C4' energy: -177.821 flat angles C4'-P-C4' energy: -173.099 flat angles P-C4'-P energy: -113.431 tors. eta vs tors. theta energy: -142.837 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: 167 Temperature: 1.100000 Total energy: -1498.086195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.086195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.086195 (E_RNA) where: Base-Base interactions energy: -804.599 where: short stacking energy: -580.366 Base-Backbone interact. energy: 1.916 local terms energy: -695.403007 where: bonds (distance) C4'-P energy: -157.480 bonds (distance) P-C4' energy: -164.020 flat angles C4'-P-C4' energy: -160.370 flat angles P-C4'-P energy: -106.533 tors. eta vs tors. theta energy: -107.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1392.535801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.535801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.535801 (E_RNA) where: Base-Base interactions energy: -763.679 where: short stacking energy: -487.832 Base-Backbone interact. energy: -2.103 local terms energy: -626.754084 where: bonds (distance) C4'-P energy: -168.404 bonds (distance) P-C4' energy: -164.074 flat angles C4'-P-C4' energy: -160.989 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -54.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1055.340635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.340635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.340635 (E_RNA) where: Base-Base interactions energy: -513.374 where: short stacking energy: -384.977 Base-Backbone interact. energy: 1.989 local terms energy: -543.956081 where: bonds (distance) C4'-P energy: -123.264 bonds (distance) P-C4' energy: -172.087 flat angles C4'-P-C4' energy: -134.760 flat angles P-C4'-P energy: -105.128 tors. eta vs tors. theta energy: -8.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -899.576296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.576296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.576296 (E_RNA) where: Base-Base interactions energy: -367.931 where: short stacking energy: -342.083 Base-Backbone interact. energy: 0.382 local terms energy: -532.027474 where: bonds (distance) C4'-P energy: -153.419 bonds (distance) P-C4' energy: -163.117 flat angles C4'-P-C4' energy: -125.675 flat angles P-C4'-P energy: -83.172 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -856.216174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.216174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.216174 (E_RNA) where: Base-Base interactions energy: -351.992 where: short stacking energy: -307.551 Base-Backbone interact. energy: 1.217 local terms energy: -505.441167 where: bonds (distance) C4'-P energy: -147.710 bonds (distance) P-C4' energy: -155.306 flat angles C4'-P-C4' energy: -125.763 flat angles P-C4'-P energy: -85.698 tors. eta vs tors. theta energy: 9.036 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: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -742.849515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.849515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.849515 (E_RNA) where: Base-Base interactions energy: -269.455 where: short stacking energy: -253.926 Base-Backbone interact. energy: 2.141 local terms energy: -475.536137 where: bonds (distance) C4'-P energy: -139.804 bonds (distance) P-C4' energy: -140.223 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -99.403 tors. eta vs tors. theta energy: 19.860 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: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2491.667444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.667444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.667444 (E_RNA) where: Base-Base interactions energy: -1520.887 where: short stacking energy: -935.374 Base-Backbone interact. energy: -3.850 local terms energy: -966.930920 where: bonds (distance) C4'-P energy: -175.449 bonds (distance) P-C4' energy: -192.682 flat angles C4'-P-C4' energy: -204.069 flat angles P-C4'-P energy: -138.772 tors. eta vs tors. theta energy: -255.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2343.596751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.596751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.596751 (E_RNA) where: Base-Base interactions energy: -1447.217 where: short stacking energy: -861.309 Base-Backbone interact. energy: -8.410 local terms energy: -887.969775 where: bonds (distance) C4'-P energy: -174.428 bonds (distance) P-C4' energy: -183.342 flat angles C4'-P-C4' energy: -195.156 flat angles P-C4'-P energy: -132.098 tors. eta vs tors. theta energy: -202.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2148.770300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.770300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.770300 (E_RNA) where: Base-Base interactions energy: -1328.842 where: short stacking energy: -807.288 Base-Backbone interact. energy: -0.614 local terms energy: -819.314380 where: bonds (distance) C4'-P energy: -164.886 bonds (distance) P-C4' energy: -181.892 flat angles C4'-P-C4' energy: -185.694 flat angles P-C4'-P energy: -106.260 tors. eta vs tors. theta energy: -180.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1920.098776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.098776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.098776 (E_RNA) where: Base-Base interactions energy: -1150.956 where: short stacking energy: -705.751 Base-Backbone interact. energy: -1.838 local terms energy: -767.304856 where: bonds (distance) C4'-P energy: -167.133 bonds (distance) P-C4' energy: -180.725 flat angles C4'-P-C4' energy: -182.663 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -142.670 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: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1502.822787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.822787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.822787 (E_RNA) where: Base-Base interactions energy: -801.211 where: short stacking energy: -592.549 Base-Backbone interact. energy: -2.239 local terms energy: -699.372374 where: bonds (distance) C4'-P energy: -156.253 bonds (distance) P-C4' energy: -168.068 flat angles C4'-P-C4' energy: -168.277 flat angles P-C4'-P energy: -110.294 tors. eta vs tors. theta energy: -96.481 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: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1461.405968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.405968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.405968 (E_RNA) where: Base-Base interactions energy: -796.025 where: short stacking energy: -545.833 Base-Backbone interact. energy: -2.737 local terms energy: -662.643517 where: bonds (distance) C4'-P energy: -151.543 bonds (distance) P-C4' energy: -146.369 flat angles C4'-P-C4' energy: -168.247 flat angles P-C4'-P energy: -90.978 tors. eta vs tors. theta energy: -105.508 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: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1108.156187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.156187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.156187 (E_RNA) where: Base-Base interactions energy: -532.515 where: short stacking energy: -399.697 Base-Backbone interact. energy: 5.657 local terms energy: -581.298236 where: bonds (distance) C4'-P energy: -158.642 bonds (distance) P-C4' energy: -170.607 flat angles C4'-P-C4' energy: -149.549 flat angles P-C4'-P energy: -62.889 tors. eta vs tors. theta energy: -39.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -941.085173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.085173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.085173 (E_RNA) where: Base-Base interactions energy: -394.805 where: short stacking energy: -318.941 Base-Backbone interact. energy: 0.293 local terms energy: -546.573670 where: bonds (distance) C4'-P energy: -131.669 bonds (distance) P-C4' energy: -161.659 flat angles C4'-P-C4' energy: -135.368 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -30.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -797.825904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.825904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.825904 (E_RNA) where: Base-Base interactions energy: -340.014 where: short stacking energy: -308.318 Base-Backbone interact. energy: 6.370 local terms energy: -464.181786 where: bonds (distance) C4'-P energy: -141.623 bonds (distance) P-C4' energy: -142.821 flat angles C4'-P-C4' energy: -121.317 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: 12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -743.811842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.811842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.811842 (E_RNA) where: Base-Base interactions energy: -276.341 where: short stacking energy: -244.425 Base-Backbone interact. energy: -2.677 local terms energy: -464.793772 where: bonds (distance) C4'-P energy: -138.312 bonds (distance) P-C4' energy: -153.875 flat angles C4'-P-C4' energy: -114.712 flat angles P-C4'-P energy: -71.497 tors. eta vs tors. theta energy: 13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2490.870682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.870682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.870682 (E_RNA) where: Base-Base interactions energy: -1542.497 where: short stacking energy: -949.802 Base-Backbone interact. energy: -1.950 local terms energy: -946.423596 where: bonds (distance) C4'-P energy: -183.292 bonds (distance) P-C4' energy: -174.742 flat angles C4'-P-C4' energy: -215.046 flat angles P-C4'-P energy: -136.241 tors. eta vs tors. theta energy: -237.102 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: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2351.414927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.414927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.414927 (E_RNA) where: Base-Base interactions energy: -1450.564 where: short stacking energy: -841.923 Base-Backbone interact. energy: -5.179 local terms energy: -895.671721 where: bonds (distance) C4'-P energy: -163.454 bonds (distance) P-C4' energy: -193.468 flat angles C4'-P-C4' energy: -207.870 flat angles P-C4'-P energy: -124.046 tors. eta vs tors. theta energy: -206.833 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: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2151.071703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.071703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.071703 (E_RNA) where: Base-Base interactions energy: -1292.827 where: short stacking energy: -790.578 Base-Backbone interact. energy: -4.044 local terms energy: -854.200870 where: bonds (distance) C4'-P energy: -190.679 bonds (distance) P-C4' energy: -164.472 flat angles C4'-P-C4' energy: -182.742 flat angles P-C4'-P energy: -131.780 tors. eta vs tors. theta energy: -184.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1896.362803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.362803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.362803 (E_RNA) where: Base-Base interactions energy: -1124.419 where: short stacking energy: -666.387 Base-Backbone interact. energy: -4.959 local terms energy: -766.985217 where: bonds (distance) C4'-P energy: -169.508 bonds (distance) P-C4' energy: -180.461 flat angles C4'-P-C4' energy: -187.151 flat angles P-C4'-P energy: -99.967 tors. eta vs tors. theta energy: -129.898 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: 169 Temperature: 1.100000 Total energy: -1555.633569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.633569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.633569 (E_RNA) where: Base-Base interactions energy: -807.685 where: short stacking energy: -570.062 Base-Backbone interact. energy: -2.781 local terms energy: -745.168452 where: bonds (distance) C4'-P energy: -168.499 bonds (distance) P-C4' energy: -177.317 flat angles C4'-P-C4' energy: -168.370 flat angles P-C4'-P energy: -110.505 tors. eta vs tors. theta energy: -120.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1445.393175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.393175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.393175 (E_RNA) where: Base-Base interactions energy: -812.849 where: short stacking energy: -541.275 Base-Backbone interact. energy: -1.293 local terms energy: -631.251834 where: bonds (distance) C4'-P energy: -137.224 bonds (distance) P-C4' energy: -169.988 flat angles C4'-P-C4' energy: -148.466 flat angles P-C4'-P energy: -95.091 tors. eta vs tors. theta energy: -80.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1153.912785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.912785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.912785 (E_RNA) where: Base-Base interactions energy: -556.839 where: short stacking energy: -443.007 Base-Backbone interact. energy: 9.069 local terms energy: -606.142477 where: bonds (distance) C4'-P energy: -135.083 bonds (distance) P-C4' energy: -139.965 flat angles C4'-P-C4' energy: -161.251 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -71.349 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: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -916.145091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.145091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.145091 (E_RNA) where: Base-Base interactions energy: -401.413 where: short stacking energy: -352.634 Base-Backbone interact. energy: -5.052 local terms energy: -509.679923 where: bonds (distance) C4'-P energy: -143.923 bonds (distance) P-C4' energy: -170.792 flat angles C4'-P-C4' energy: -143.165 flat angles P-C4'-P energy: -56.751 tors. eta vs tors. theta energy: 4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -815.963950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.963950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.963950 (E_RNA) where: Base-Base interactions energy: -336.246 where: short stacking energy: -277.541 Base-Backbone interact. energy: 0.029 local terms energy: -479.746987 where: bonds (distance) C4'-P energy: -142.836 bonds (distance) P-C4' energy: -140.144 flat angles C4'-P-C4' energy: -134.986 flat angles P-C4'-P energy: -64.599 tors. eta vs tors. theta energy: 2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -743.916641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.916641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.916641 (E_RNA) where: Base-Base interactions energy: -307.435 where: short stacking energy: -248.130 Base-Backbone interact. energy: 14.221 local terms energy: -450.702823 where: bonds (distance) C4'-P energy: -142.028 bonds (distance) P-C4' energy: -148.428 flat angles C4'-P-C4' energy: -129.584 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: 40.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2500.578519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.578519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.578519 (E_RNA) where: Base-Base interactions energy: -1562.558 where: short stacking energy: -955.187 Base-Backbone interact. energy: -0.667 local terms energy: -937.352776 where: bonds (distance) C4'-P energy: -174.632 bonds (distance) P-C4' energy: -184.206 flat angles C4'-P-C4' energy: -196.196 flat angles P-C4'-P energy: -140.538 tors. eta vs tors. theta energy: -241.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2332.342985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.342985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.342985 (E_RNA) where: Base-Base interactions energy: -1446.556 where: short stacking energy: -879.453 Base-Backbone interact. energy: -3.973 local terms energy: -881.813633 where: bonds (distance) C4'-P energy: -156.687 bonds (distance) P-C4' energy: -170.162 flat angles C4'-P-C4' energy: -202.163 flat angles P-C4'-P energy: -136.703 tors. eta vs tors. theta energy: -216.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2136.020150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.020150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.020150 (E_RNA) where: Base-Base interactions energy: -1291.152 where: short stacking energy: -817.238 Base-Backbone interact. energy: -1.577 local terms energy: -843.291044 where: bonds (distance) C4'-P energy: -174.730 bonds (distance) P-C4' energy: -166.494 flat angles C4'-P-C4' energy: -192.567 flat angles P-C4'-P energy: -115.503 tors. eta vs tors. theta energy: -193.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1949.486522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.486522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.486522 (E_RNA) where: Base-Base interactions energy: -1159.086 where: short stacking energy: -693.197 Base-Backbone interact. energy: 3.111 local terms energy: -793.511335 where: bonds (distance) C4'-P energy: -170.295 bonds (distance) P-C4' energy: -180.556 flat angles C4'-P-C4' energy: -180.752 flat angles P-C4'-P energy: -107.308 tors. eta vs tors. theta energy: -154.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1612.928160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.928160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.928160 (E_RNA) where: Base-Base interactions energy: -884.083 where: short stacking energy: -611.880 Base-Backbone interact. energy: -0.524 local terms energy: -728.320973 where: bonds (distance) C4'-P energy: -161.301 bonds (distance) P-C4' energy: -183.593 flat angles C4'-P-C4' energy: -175.150 flat angles P-C4'-P energy: -89.329 tors. eta vs tors. theta energy: -118.948 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: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1433.407683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.407683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.407683 (E_RNA) where: Base-Base interactions energy: -785.748 where: short stacking energy: -485.128 Base-Backbone interact. energy: 0.351 local terms energy: -648.009953 where: bonds (distance) C4'-P energy: -159.927 bonds (distance) P-C4' energy: -164.426 flat angles C4'-P-C4' energy: -185.173 flat angles P-C4'-P energy: -80.609 tors. eta vs tors. theta energy: -57.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1082.043511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.043511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.043511 (E_RNA) where: Base-Base interactions energy: -505.878 where: short stacking energy: -392.565 Base-Backbone interact. energy: 0.221 local terms energy: -576.387149 where: bonds (distance) C4'-P energy: -135.295 bonds (distance) P-C4' energy: -174.249 flat angles C4'-P-C4' energy: -130.624 flat angles P-C4'-P energy: -101.684 tors. eta vs tors. theta energy: -34.535 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: 8, replica: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -976.789413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.789413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.789413 (E_RNA) where: Base-Base interactions energy: -412.597 where: short stacking energy: -347.379 Base-Backbone interact. energy: -0.739 local terms energy: -563.453140 where: bonds (distance) C4'-P energy: -165.551 bonds (distance) P-C4' energy: -152.562 flat angles C4'-P-C4' energy: -148.547 flat angles P-C4'-P energy: -79.736 tors. eta vs tors. theta energy: -17.057 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: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -864.987273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.987273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.987273 (E_RNA) where: Base-Base interactions energy: -372.803 where: short stacking energy: -317.381 Base-Backbone interact. energy: 0.655 local terms energy: -492.839752 where: bonds (distance) C4'-P energy: -125.705 bonds (distance) P-C4' energy: -181.077 flat angles C4'-P-C4' energy: -108.987 flat angles P-C4'-P energy: -83.014 tors. eta vs tors. theta energy: 5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -763.977127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.977127 (E_RNA) where: Base-Base interactions energy: -298.601 where: short stacking energy: -273.395 Base-Backbone interact. energy: 6.754 local terms energy: -472.130447 where: bonds (distance) C4'-P energy: -152.498 bonds (distance) P-C4' energy: -141.392 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -75.509 tors. eta vs tors. theta energy: 12.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2482.210777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.210777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.210777 (E_RNA) where: Base-Base interactions energy: -1537.241 where: short stacking energy: -943.600 Base-Backbone interact. energy: -3.802 local terms energy: -941.167793 where: bonds (distance) C4'-P energy: -183.491 bonds (distance) P-C4' energy: -194.103 flat angles C4'-P-C4' energy: -191.354 flat angles P-C4'-P energy: -136.152 tors. eta vs tors. theta energy: -236.068 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: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2362.159812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.159812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.159812 (E_RNA) where: Base-Base interactions energy: -1460.698 where: short stacking energy: -887.745 Base-Backbone interact. energy: -0.681 local terms energy: -900.781405 where: bonds (distance) C4'-P energy: -165.243 bonds (distance) P-C4' energy: -183.498 flat angles C4'-P-C4' energy: -198.134 flat angles P-C4'-P energy: -119.872 tors. eta vs tors. theta energy: -234.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2153.324934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.324934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.324934 (E_RNA) where: Base-Base interactions energy: -1308.818 where: short stacking energy: -814.195 Base-Backbone interact. energy: -0.900 local terms energy: -843.606901 where: bonds (distance) C4'-P energy: -165.263 bonds (distance) P-C4' energy: -170.415 flat angles C4'-P-C4' energy: -178.088 flat angles P-C4'-P energy: -134.326 tors. eta vs tors. theta energy: -195.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1903.095457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.095457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.095457 (E_RNA) where: Base-Base interactions energy: -1145.905 where: short stacking energy: -701.672 Base-Backbone interact. energy: 0.055 local terms energy: -757.244612 where: bonds (distance) C4'-P energy: -150.025 bonds (distance) P-C4' energy: -174.376 flat angles C4'-P-C4' energy: -155.734 flat angles P-C4'-P energy: -120.993 tors. eta vs tors. theta energy: -156.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1563.618496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.618496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.618496 (E_RNA) where: Base-Base interactions energy: -856.517 where: short stacking energy: -551.445 Base-Backbone interact. energy: -0.494 local terms energy: -706.607886 where: bonds (distance) C4'-P energy: -164.347 bonds (distance) P-C4' energy: -162.895 flat angles C4'-P-C4' energy: -169.511 flat angles P-C4'-P energy: -108.804 tors. eta vs tors. theta energy: -101.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1393.042287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.042287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.042287 (E_RNA) where: Base-Base interactions energy: -751.859 where: short stacking energy: -495.666 Base-Backbone interact. energy: -4.543 local terms energy: -636.640965 where: bonds (distance) C4'-P energy: -143.851 bonds (distance) P-C4' energy: -178.761 flat angles C4'-P-C4' energy: -158.247 flat angles P-C4'-P energy: -92.441 tors. eta vs tors. theta energy: -63.340 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: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1133.179388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.179388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.179388 (E_RNA) where: Base-Base interactions energy: -531.540 where: short stacking energy: -434.731 Base-Backbone interact. energy: -3.504 local terms energy: -598.135424 where: bonds (distance) C4'-P energy: -161.118 bonds (distance) P-C4' energy: -157.032 flat angles C4'-P-C4' energy: -134.876 flat angles P-C4'-P energy: -82.301 tors. eta vs tors. theta energy: -62.808 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: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -920.363781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.363781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.363781 (E_RNA) where: Base-Base interactions energy: -410.728 where: short stacking energy: -344.922 Base-Backbone interact. energy: 6.448 local terms energy: -516.083955 where: bonds (distance) C4'-P energy: -138.794 bonds (distance) P-C4' energy: -149.457 flat angles C4'-P-C4' energy: -122.965 flat angles P-C4'-P energy: -89.960 tors. eta vs tors. theta energy: -14.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -823.953395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.953395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.953395 (E_RNA) where: Base-Base interactions energy: -343.689 where: short stacking energy: -256.807 Base-Backbone interact. energy: -4.797 local terms energy: -475.468051 where: bonds (distance) C4'-P energy: -154.719 bonds (distance) P-C4' energy: -151.098 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -55.848 tors. eta vs tors. theta energy: 34.417 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: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -768.139523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.139523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.139523 (E_RNA) where: Base-Base interactions energy: -303.538 where: short stacking energy: -281.274 Base-Backbone interact. energy: 0.900 local terms energy: -465.502084 where: bonds (distance) C4'-P energy: -141.311 bonds (distance) P-C4' energy: -149.502 flat angles C4'-P-C4' energy: -136.162 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: 12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2441.306810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.306810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.306810 (E_RNA) where: Base-Base interactions energy: -1492.248 where: short stacking energy: -910.595 Base-Backbone interact. energy: -7.513 local terms energy: -941.545298 where: bonds (distance) C4'-P energy: -200.074 bonds (distance) P-C4' energy: -195.917 flat angles C4'-P-C4' energy: -184.527 flat angles P-C4'-P energy: -126.667 tors. eta vs tors. theta energy: -234.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2404.992252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.992252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.992252 (E_RNA) where: Base-Base interactions energy: -1484.162 where: short stacking energy: -915.384 Base-Backbone interact. energy: -7.341 local terms energy: -913.489520 where: bonds (distance) C4'-P energy: -163.488 bonds (distance) P-C4' energy: -189.656 flat angles C4'-P-C4' energy: -202.903 flat angles P-C4'-P energy: -135.288 tors. eta vs tors. theta energy: -222.155 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: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2156.458644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.458644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.458644 (E_RNA) where: Base-Base interactions energy: -1318.333 where: short stacking energy: -826.825 Base-Backbone interact. energy: 0.237 local terms energy: -838.362629 where: bonds (distance) C4'-P energy: -171.758 bonds (distance) P-C4' energy: -159.239 flat angles C4'-P-C4' energy: -189.739 flat angles P-C4'-P energy: -132.129 tors. eta vs tors. theta energy: -185.498 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: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1912.913303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.913303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.913303 (E_RNA) where: Base-Base interactions energy: -1126.314 where: short stacking energy: -718.132 Base-Backbone interact. energy: -1.731 local terms energy: -784.868563 where: bonds (distance) C4'-P energy: -160.642 bonds (distance) P-C4' energy: -173.386 flat angles C4'-P-C4' energy: -184.221 flat angles P-C4'-P energy: -119.636 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: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1548.906535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.906535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.906535 (E_RNA) where: Base-Base interactions energy: -827.442 where: short stacking energy: -588.230 Base-Backbone interact. energy: 1.632 local terms energy: -723.096626 where: bonds (distance) C4'-P energy: -142.043 bonds (distance) P-C4' energy: -177.461 flat angles C4'-P-C4' energy: -181.721 flat angles P-C4'-P energy: -108.056 tors. eta vs tors. theta energy: -113.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1355.846789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.846789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.846789 (E_RNA) where: Base-Base interactions energy: -700.513 where: short stacking energy: -487.913 Base-Backbone interact. energy: -2.891 local terms energy: -652.442374 where: bonds (distance) C4'-P energy: -148.923 bonds (distance) P-C4' energy: -168.269 flat angles C4'-P-C4' energy: -156.985 flat angles P-C4'-P energy: -115.713 tors. eta vs tors. theta energy: -62.553 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: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1057.597155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.597155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.597155 (E_RNA) where: Base-Base interactions energy: -473.348 where: short stacking energy: -380.981 Base-Backbone interact. energy: -2.808 local terms energy: -581.441748 where: bonds (distance) C4'-P energy: -156.658 bonds (distance) P-C4' energy: -164.716 flat angles C4'-P-C4' energy: -134.057 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -35.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -952.173801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.173801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.173801 (E_RNA) where: Base-Base interactions energy: -445.940 where: short stacking energy: -384.402 Base-Backbone interact. energy: 1.751 local terms energy: -507.984544 where: bonds (distance) C4'-P energy: -136.178 bonds (distance) P-C4' energy: -138.847 flat angles C4'-P-C4' energy: -110.611 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -33.186 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: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -829.588405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.588405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.588405 (E_RNA) where: Base-Base interactions energy: -343.336 where: short stacking energy: -303.151 Base-Backbone interact. energy: 1.097 local terms energy: -487.349276 where: bonds (distance) C4'-P energy: -138.861 bonds (distance) P-C4' energy: -156.358 flat angles C4'-P-C4' energy: -121.437 flat angles P-C4'-P energy: -73.682 tors. eta vs tors. theta energy: 2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -770.528004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.528004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.528004 (E_RNA) where: Base-Base interactions energy: -303.967 where: short stacking energy: -272.004 Base-Backbone interact. energy: 0.390 local terms energy: -466.950838 where: bonds (distance) C4'-P energy: -149.249 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -134.472 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: 26.432 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: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2451.093989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.093989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.093989 (E_RNA) where: Base-Base interactions energy: -1514.189 where: short stacking energy: -952.724 Base-Backbone interact. energy: -1.964 local terms energy: -934.941284 where: bonds (distance) C4'-P energy: -189.932 bonds (distance) P-C4' energy: -167.366 flat angles C4'-P-C4' energy: -216.268 flat angles P-C4'-P energy: -123.672 tors. eta vs tors. theta energy: -237.703 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: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2427.531476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.531476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.531476 (E_RNA) where: Base-Base interactions energy: -1524.923 where: short stacking energy: -943.245 Base-Backbone interact. energy: -1.901 local terms energy: -900.708038 where: bonds (distance) C4'-P energy: -163.359 bonds (distance) P-C4' energy: -182.523 flat angles C4'-P-C4' energy: -196.280 flat angles P-C4'-P energy: -127.611 tors. eta vs tors. theta energy: -230.935 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: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2141.987103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.987103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.987103 (E_RNA) where: Base-Base interactions energy: -1282.210 where: short stacking energy: -794.790 Base-Backbone interact. energy: -2.322 local terms energy: -857.455012 where: bonds (distance) C4'-P energy: -171.464 bonds (distance) P-C4' energy: -181.098 flat angles C4'-P-C4' energy: -187.238 flat angles P-C4'-P energy: -113.024 tors. eta vs tors. theta energy: -204.632 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1972.530581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.530581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.530581 (E_RNA) where: Base-Base interactions energy: -1172.532 where: short stacking energy: -743.848 Base-Backbone interact. energy: -1.145 local terms energy: -798.853191 where: bonds (distance) C4'-P energy: -167.441 bonds (distance) P-C4' energy: -172.243 flat angles C4'-P-C4' energy: -181.081 flat angles P-C4'-P energy: -116.075 tors. eta vs tors. theta energy: -162.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1537.151208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.151208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.151208 (E_RNA) where: Base-Base interactions energy: -853.927 where: short stacking energy: -586.440 Base-Backbone interact. energy: -0.741 local terms energy: -682.482740 where: bonds (distance) C4'-P energy: -166.648 bonds (distance) P-C4' energy: -163.743 flat angles C4'-P-C4' energy: -165.868 flat angles P-C4'-P energy: -100.355 tors. eta vs tors. theta energy: -85.869 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: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1353.989741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.989741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.989741 (E_RNA) where: Base-Base interactions energy: -731.196 where: short stacking energy: -516.915 Base-Backbone interact. energy: -4.470 local terms energy: -618.323453 where: bonds (distance) C4'-P energy: -151.710 bonds (distance) P-C4' energy: -184.761 flat angles C4'-P-C4' energy: -130.300 flat angles P-C4'-P energy: -90.927 tors. eta vs tors. theta energy: -60.626 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: 173 Temperature: 1.200000 Total energy: -1071.727588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.727588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.727588 (E_RNA) where: Base-Base interactions energy: -517.210 where: short stacking energy: -418.888 Base-Backbone interact. energy: 2.086 local terms energy: -556.603843 where: bonds (distance) C4'-P energy: -132.876 bonds (distance) P-C4' energy: -148.355 flat angles C4'-P-C4' energy: -143.523 flat angles P-C4'-P energy: -81.461 tors. eta vs tors. theta energy: -50.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -911.807561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.807561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.807561 (E_RNA) where: Base-Base interactions energy: -370.911 where: short stacking energy: -320.265 Base-Backbone interact. energy: 3.419 local terms energy: -544.315847 where: bonds (distance) C4'-P energy: -152.183 bonds (distance) P-C4' energy: -155.816 flat angles C4'-P-C4' energy: -133.342 flat angles P-C4'-P energy: -95.368 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -937.006187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.006187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.006187 (E_RNA) where: Base-Base interactions energy: -416.105 where: short stacking energy: -348.590 Base-Backbone interact. energy: -3.231 local terms energy: -517.669525 where: bonds (distance) C4'-P energy: -143.415 bonds (distance) P-C4' energy: -153.888 flat angles C4'-P-C4' energy: -132.731 flat angles P-C4'-P energy: -76.262 tors. eta vs tors. theta energy: -11.373 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: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -778.726726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.726726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.726726 (E_RNA) where: Base-Base interactions energy: -345.678 where: short stacking energy: -263.003 Base-Backbone interact. energy: 5.045 local terms energy: -438.093810 where: bonds (distance) C4'-P energy: -136.864 bonds (distance) P-C4' energy: -152.778 flat angles C4'-P-C4' energy: -114.962 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: 42.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2481.914495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.914495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.914495 (E_RNA) where: Base-Base interactions energy: -1551.618 where: short stacking energy: -958.096 Base-Backbone interact. energy: -2.757 local terms energy: -927.539930 where: bonds (distance) C4'-P energy: -168.064 bonds (distance) P-C4' energy: -166.304 flat angles C4'-P-C4' energy: -206.556 flat angles P-C4'-P energy: -136.425 tors. eta vs tors. theta energy: -250.191 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: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2394.456457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.456457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.456457 (E_RNA) where: Base-Base interactions energy: -1474.827 where: short stacking energy: -935.439 Base-Backbone interact. energy: -0.893 local terms energy: -918.736342 where: bonds (distance) C4'-P energy: -172.430 bonds (distance) P-C4' energy: -175.370 flat angles C4'-P-C4' energy: -192.895 flat angles P-C4'-P energy: -141.076 tors. eta vs tors. theta energy: -236.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2111.570390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.570390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.570390 (E_RNA) where: Base-Base interactions energy: -1278.917 where: short stacking energy: -777.453 Base-Backbone interact. energy: -3.205 local terms energy: -829.448494 where: bonds (distance) C4'-P energy: -161.970 bonds (distance) P-C4' energy: -184.081 flat angles C4'-P-C4' energy: -184.074 flat angles P-C4'-P energy: -113.727 tors. eta vs tors. theta energy: -185.597 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: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1946.370255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.370255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.370255 (E_RNA) where: Base-Base interactions energy: -1174.602 where: short stacking energy: -750.546 Base-Backbone interact. energy: -1.429 local terms energy: -770.339025 where: bonds (distance) C4'-P energy: -150.184 bonds (distance) P-C4' energy: -162.716 flat angles C4'-P-C4' energy: -171.403 flat angles P-C4'-P energy: -117.271 tors. eta vs tors. theta energy: -168.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1483.251952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.251952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.251952 (E_RNA) where: Base-Base interactions energy: -781.672 where: short stacking energy: -567.040 Base-Backbone interact. energy: -1.920 local terms energy: -699.660547 where: bonds (distance) C4'-P energy: -178.133 bonds (distance) P-C4' energy: -154.602 flat angles C4'-P-C4' energy: -174.105 flat angles P-C4'-P energy: -92.343 tors. eta vs tors. theta energy: -100.478 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: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1466.936735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.936735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.936735 (E_RNA) where: Base-Base interactions energy: -780.995 where: short stacking energy: -555.610 Base-Backbone interact. energy: 0.912 local terms energy: -686.853725 where: bonds (distance) C4'-P energy: -150.218 bonds (distance) P-C4' energy: -173.055 flat angles C4'-P-C4' energy: -162.737 flat angles P-C4'-P energy: -88.395 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: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1083.892975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.892975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.892975 (E_RNA) where: Base-Base interactions energy: -517.983 where: short stacking energy: -402.240 Base-Backbone interact. energy: 3.386 local terms energy: -569.295297 where: bonds (distance) C4'-P energy: -135.792 bonds (distance) P-C4' energy: -163.879 flat angles C4'-P-C4' energy: -143.608 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: -45.081 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: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -915.221553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.221553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.221553 (E_RNA) where: Base-Base interactions energy: -418.362 where: short stacking energy: -368.867 Base-Backbone interact. energy: -0.535 local terms energy: -496.324555 where: bonds (distance) C4'-P energy: -121.224 bonds (distance) P-C4' energy: -137.809 flat angles C4'-P-C4' energy: -130.904 flat angles P-C4'-P energy: -87.577 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -833.403653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.403653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.403653 (E_RNA) where: Base-Base interactions energy: -368.350 where: short stacking energy: -293.179 Base-Backbone interact. energy: 0.913 local terms energy: -465.966438 where: bonds (distance) C4'-P energy: -140.741 bonds (distance) P-C4' energy: -157.347 flat angles C4'-P-C4' energy: -120.503 flat angles P-C4'-P energy: -62.308 tors. eta vs tors. theta energy: 14.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -712.124719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.124719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.124719 (E_RNA) where: Base-Base interactions energy: -288.486 where: short stacking energy: -244.172 Base-Backbone interact. energy: 4.303 local terms energy: -427.942400 where: bonds (distance) C4'-P energy: -140.808 bonds (distance) P-C4' energy: -146.629 flat angles C4'-P-C4' energy: -115.398 flat angles P-C4'-P energy: -64.466 tors. eta vs tors. theta energy: 39.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2531.230053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.230053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.230053 (E_RNA) where: Base-Base interactions energy: -1593.390 where: short stacking energy: -913.978 Base-Backbone interact. energy: -6.045 local terms energy: -931.794472 where: bonds (distance) C4'-P energy: -190.798 bonds (distance) P-C4' energy: -182.448 flat angles C4'-P-C4' energy: -199.130 flat angles P-C4'-P energy: -118.293 tors. eta vs tors. theta energy: -241.126 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: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2342.223581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.223581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.223581 (E_RNA) where: Base-Base interactions energy: -1420.867 where: short stacking energy: -866.212 Base-Backbone interact. energy: 0.021 local terms energy: -921.377190 where: bonds (distance) C4'-P energy: -181.066 bonds (distance) P-C4' energy: -192.666 flat angles C4'-P-C4' energy: -197.673 flat angles P-C4'-P energy: -135.072 tors. eta vs tors. theta energy: -214.899 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: 175 Temperature: 1.000000 Total energy: -2100.567494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.567494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.567494 (E_RNA) where: Base-Base interactions energy: -1252.372 where: short stacking energy: -772.173 Base-Backbone interact. energy: -4.450 local terms energy: -843.744653 where: bonds (distance) C4'-P energy: -171.762 bonds (distance) P-C4' energy: -178.934 flat angles C4'-P-C4' energy: -192.814 flat angles P-C4'-P energy: -121.003 tors. eta vs tors. theta energy: -179.233 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1999.648383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.648383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.648383 (E_RNA) where: Base-Base interactions energy: -1186.251 where: short stacking energy: -738.744 Base-Backbone interact. energy: -4.707 local terms energy: -808.690629 where: bonds (distance) C4'-P energy: -177.950 bonds (distance) P-C4' energy: -164.891 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -108.106 tors. eta vs tors. theta energy: -179.383 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: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1515.659102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.659102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.659102 (E_RNA) where: Base-Base interactions energy: -811.884 where: short stacking energy: -549.161 Base-Backbone interact. energy: -4.060 local terms energy: -699.715063 where: bonds (distance) C4'-P energy: -136.501 bonds (distance) P-C4' energy: -182.900 flat angles C4'-P-C4' energy: -167.658 flat angles P-C4'-P energy: -108.908 tors. eta vs tors. theta energy: -103.748 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: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1408.247200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.247200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.247200 (E_RNA) where: Base-Base interactions energy: -783.990 where: short stacking energy: -563.801 Base-Backbone interact. energy: 3.372 local terms energy: -627.629009 where: bonds (distance) C4'-P energy: -133.415 bonds (distance) P-C4' energy: -175.457 flat angles C4'-P-C4' energy: -145.439 flat angles P-C4'-P energy: -89.802 tors. eta vs tors. theta energy: -83.515 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: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1156.507395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.507395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.507395 (E_RNA) where: Base-Base interactions energy: -574.401 where: short stacking energy: -428.286 Base-Backbone interact. energy: 1.577 local terms energy: -583.683081 where: bonds (distance) C4'-P energy: -155.817 bonds (distance) P-C4' energy: -154.709 flat angles C4'-P-C4' energy: -151.963 flat angles P-C4'-P energy: -76.752 tors. eta vs tors. theta energy: -44.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -931.122594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.122594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.122594 (E_RNA) where: Base-Base interactions energy: -374.321 where: short stacking energy: -335.196 Base-Backbone interact. energy: 2.532 local terms energy: -559.333539 where: bonds (distance) C4'-P energy: -133.161 bonds (distance) P-C4' energy: -152.175 flat angles C4'-P-C4' energy: -143.494 flat angles P-C4'-P energy: -96.110 tors. eta vs tors. theta energy: -34.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -942.504171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.504171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.504171 (E_RNA) where: Base-Base interactions energy: -439.724 where: short stacking energy: -328.189 Base-Backbone interact. energy: 4.465 local terms energy: -507.244836 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -149.387 flat angles C4'-P-C4' energy: -129.776 flat angles P-C4'-P energy: -100.452 tors. eta vs tors. theta energy: 7.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -783.349114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.349114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.349114 (E_RNA) where: Base-Base interactions energy: -293.505 where: short stacking energy: -261.121 Base-Backbone interact. energy: -1.905 local terms energy: -487.939085 where: bonds (distance) C4'-P energy: -153.689 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -135.402 flat angles P-C4'-P energy: -65.140 tors. eta vs tors. theta energy: 26.441 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: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2504.550361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.550361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.550361 (E_RNA) where: Base-Base interactions energy: -1548.996 where: short stacking energy: -924.716 Base-Backbone interact. energy: -3.761 local terms energy: -951.793336 where: bonds (distance) C4'-P energy: -184.629 bonds (distance) P-C4' energy: -203.974 flat angles C4'-P-C4' energy: -194.261 flat angles P-C4'-P energy: -123.530 tors. eta vs tors. theta energy: -245.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2337.861782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.861782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.861782 (E_RNA) where: Base-Base interactions energy: -1463.308 where: short stacking energy: -894.117 Base-Backbone interact. energy: -5.302 local terms energy: -869.251796 where: bonds (distance) C4'-P energy: -182.937 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -200.479 flat angles P-C4'-P energy: -127.046 tors. eta vs tors. theta energy: -211.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2108.692497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.692497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.692497 (E_RNA) where: Base-Base interactions energy: -1263.560 where: short stacking energy: -773.940 Base-Backbone interact. energy: -2.424 local terms energy: -842.708818 where: bonds (distance) C4'-P energy: -165.796 bonds (distance) P-C4' energy: -182.400 flat angles C4'-P-C4' energy: -196.227 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -187.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1981.624097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.624097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.624097 (E_RNA) where: Base-Base interactions energy: -1178.519 where: short stacking energy: -721.491 Base-Backbone interact. energy: -3.657 local terms energy: -799.448152 where: bonds (distance) C4'-P energy: -143.529 bonds (distance) P-C4' energy: -175.875 flat angles C4'-P-C4' energy: -191.394 flat angles P-C4'-P energy: -115.395 tors. eta vs tors. theta energy: -173.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1497.159900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.159900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.159900 (E_RNA) where: Base-Base interactions energy: -796.431 where: short stacking energy: -536.850 Base-Backbone interact. energy: -0.353 local terms energy: -700.375390 where: bonds (distance) C4'-P energy: -165.140 bonds (distance) P-C4' energy: -170.874 flat angles C4'-P-C4' energy: -178.964 flat angles P-C4'-P energy: -104.428 tors. eta vs tors. theta energy: -80.969 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: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1397.402332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.402332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.402332 (E_RNA) where: Base-Base interactions energy: -756.633 where: short stacking energy: -541.278 Base-Backbone interact. energy: -2.350 local terms energy: -638.419876 where: bonds (distance) C4'-P energy: -139.133 bonds (distance) P-C4' energy: -155.936 flat angles C4'-P-C4' energy: -167.257 flat angles P-C4'-P energy: -87.496 tors. eta vs tors. theta energy: -88.597 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: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1148.069215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.069215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.069215 (E_RNA) where: Base-Base interactions energy: -533.548 where: short stacking energy: -387.604 Base-Backbone interact. energy: -1.350 local terms energy: -613.171381 where: bonds (distance) C4'-P energy: -159.070 bonds (distance) P-C4' energy: -171.122 flat angles C4'-P-C4' energy: -147.600 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: -56.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -912.400625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.400625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.400625 (E_RNA) where: Base-Base interactions energy: -389.884 where: short stacking energy: -353.632 Base-Backbone interact. energy: -2.593 local terms energy: -519.923765 where: bonds (distance) C4'-P energy: -152.758 bonds (distance) P-C4' energy: -164.316 flat angles C4'-P-C4' energy: -110.479 flat angles P-C4'-P energy: -92.300 tors. eta vs tors. theta energy: -0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -901.353283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.353283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.353283 (E_RNA) where: Base-Base interactions energy: -411.503 where: short stacking energy: -304.858 Base-Backbone interact. energy: -4.103 local terms energy: -485.747818 where: bonds (distance) C4'-P energy: -140.884 bonds (distance) P-C4' energy: -158.411 flat angles C4'-P-C4' energy: -121.217 flat angles P-C4'-P energy: -65.901 tors. eta vs tors. theta energy: 0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -793.108343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.108343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.108343 (E_RNA) where: Base-Base interactions energy: -298.140 where: short stacking energy: -277.761 Base-Backbone interact. energy: -4.185 local terms energy: -490.783490 where: bonds (distance) C4'-P energy: -139.364 bonds (distance) P-C4' energy: -176.016 flat angles C4'-P-C4' energy: -113.717 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: 6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2515.217155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.217155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.217155 (E_RNA) where: Base-Base interactions energy: -1559.390 where: short stacking energy: -939.802 Base-Backbone interact. energy: -1.372 local terms energy: -954.455018 where: bonds (distance) C4'-P energy: -187.154 bonds (distance) P-C4' energy: -191.724 flat angles C4'-P-C4' energy: -218.422 flat angles P-C4'-P energy: -123.896 tors. eta vs tors. theta energy: -233.260 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: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2331.279018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.279018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.279018 (E_RNA) where: Base-Base interactions energy: -1442.800 where: short stacking energy: -897.069 Base-Backbone interact. energy: -6.883 local terms energy: -881.595983 where: bonds (distance) C4'-P energy: -174.709 bonds (distance) P-C4' energy: -164.212 flat angles C4'-P-C4' energy: -207.087 flat angles P-C4'-P energy: -120.794 tors. eta vs tors. theta energy: -214.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2105.032329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.032329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.032329 (E_RNA) where: Base-Base interactions energy: -1276.986 where: short stacking energy: -767.929 Base-Backbone interact. energy: -2.504 local terms energy: -825.541480 where: bonds (distance) C4'-P energy: -170.852 bonds (distance) P-C4' energy: -167.447 flat angles C4'-P-C4' energy: -179.166 flat angles P-C4'-P energy: -124.564 tors. eta vs tors. theta energy: -183.512 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: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1941.136645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.136645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.136645 (E_RNA) where: Base-Base interactions energy: -1168.885 where: short stacking energy: -718.974 Base-Backbone interact. energy: -0.873 local terms energy: -771.379026 where: bonds (distance) C4'-P energy: -155.225 bonds (distance) P-C4' energy: -164.493 flat angles C4'-P-C4' energy: -175.013 flat angles P-C4'-P energy: -122.899 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: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1531.508951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.508951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.508951 (E_RNA) where: Base-Base interactions energy: -828.595 where: short stacking energy: -566.393 Base-Backbone interact. energy: -1.689 local terms energy: -701.225070 where: bonds (distance) C4'-P energy: -142.019 bonds (distance) P-C4' energy: -161.944 flat angles C4'-P-C4' energy: -176.733 flat angles P-C4'-P energy: -116.771 tors. eta vs tors. theta energy: -103.758 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: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1290.412063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.412063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.412063 (E_RNA) where: Base-Base interactions energy: -669.462 where: short stacking energy: -459.370 Base-Backbone interact. energy: -3.201 local terms energy: -617.748365 where: bonds (distance) C4'-P energy: -155.714 bonds (distance) P-C4' energy: -167.109 flat angles C4'-P-C4' energy: -159.287 flat angles P-C4'-P energy: -94.929 tors. eta vs tors. theta energy: -40.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1127.765330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.765330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.765330 (E_RNA) where: Base-Base interactions energy: -521.091 where: short stacking energy: -397.439 Base-Backbone interact. energy: -3.190 local terms energy: -603.484496 where: bonds (distance) C4'-P energy: -163.821 bonds (distance) P-C4' energy: -174.812 flat angles C4'-P-C4' energy: -132.446 flat angles P-C4'-P energy: -92.760 tors. eta vs tors. theta energy: -39.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -978.138173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.138173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.138173 (E_RNA) where: Base-Base interactions energy: -424.894 where: short stacking energy: -365.538 Base-Backbone interact. energy: -0.860 local terms energy: -552.383719 where: bonds (distance) C4'-P energy: -146.852 bonds (distance) P-C4' energy: -162.280 flat angles C4'-P-C4' energy: -147.780 flat angles P-C4'-P energy: -74.463 tors. eta vs tors. theta energy: -21.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -878.812526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.812526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.812526 (E_RNA) where: Base-Base interactions energy: -348.989 where: short stacking energy: -293.030 Base-Backbone interact. energy: 10.502 local terms energy: -540.326069 where: bonds (distance) C4'-P energy: -151.729 bonds (distance) P-C4' energy: -151.940 flat angles C4'-P-C4' energy: -143.700 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -802.911772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.911772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.911772 (E_RNA) where: Base-Base interactions energy: -318.544 where: short stacking energy: -273.237 Base-Backbone interact. energy: -0.311 local terms energy: -484.056492 where: bonds (distance) C4'-P energy: -158.070 bonds (distance) P-C4' energy: -148.724 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: 37.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2522.993838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.993838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.993838 (E_RNA) where: Base-Base interactions energy: -1605.082 where: short stacking energy: -960.830 Base-Backbone interact. energy: -0.739 local terms energy: -917.172593 where: bonds (distance) C4'-P energy: -169.795 bonds (distance) P-C4' energy: -175.936 flat angles C4'-P-C4' energy: -206.670 flat angles P-C4'-P energy: -126.635 tors. eta vs tors. theta energy: -238.137 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: 2, replica: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2353.971216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.971216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.971216 (E_RNA) where: Base-Base interactions energy: -1429.699 where: short stacking energy: -882.581 Base-Backbone interact. energy: -5.058 local terms energy: -919.214884 where: bonds (distance) C4'-P energy: -172.009 bonds (distance) P-C4' energy: -187.792 flat angles C4'-P-C4' energy: -198.865 flat angles P-C4'-P energy: -131.871 tors. eta vs tors. theta energy: -228.679 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: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2112.448649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.448649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.448649 (E_RNA) where: Base-Base interactions energy: -1268.031 where: short stacking energy: -779.165 Base-Backbone interact. energy: 3.997 local terms energy: -848.414420 where: bonds (distance) C4'-P energy: -167.255 bonds (distance) P-C4' energy: -179.982 flat angles C4'-P-C4' energy: -195.685 flat angles P-C4'-P energy: -134.083 tors. eta vs tors. theta energy: -171.410 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: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1957.046599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.046599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.046599 (E_RNA) where: Base-Base interactions energy: -1168.370 where: short stacking energy: -704.909 Base-Backbone interact. energy: -1.986 local terms energy: -786.690260 where: bonds (distance) C4'-P energy: -141.291 bonds (distance) P-C4' energy: -185.978 flat angles C4'-P-C4' energy: -185.820 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -162.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1539.563193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.563193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.563193 (E_RNA) where: Base-Base interactions energy: -854.092 where: short stacking energy: -580.223 Base-Backbone interact. energy: -5.130 local terms energy: -680.341008 where: bonds (distance) C4'-P energy: -144.353 bonds (distance) P-C4' energy: -154.473 flat angles C4'-P-C4' energy: -174.585 flat angles P-C4'-P energy: -108.126 tors. eta vs tors. theta energy: -98.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1247.893566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.893566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.893566 (E_RNA) where: Base-Base interactions energy: -644.681 where: short stacking energy: -471.463 Base-Backbone interact. energy: 2.363 local terms energy: -605.576143 where: bonds (distance) C4'-P energy: -144.783 bonds (distance) P-C4' energy: -160.189 flat angles C4'-P-C4' energy: -164.408 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -46.757 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: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1125.876894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.876894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.876894 (E_RNA) where: Base-Base interactions energy: -527.585 where: short stacking energy: -393.827 Base-Backbone interact. energy: 2.139 local terms energy: -600.430912 where: bonds (distance) C4'-P energy: -141.598 bonds (distance) P-C4' energy: -162.612 flat angles C4'-P-C4' energy: -152.801 flat angles P-C4'-P energy: -103.659 tors. eta vs tors. theta energy: -39.759 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: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -937.824377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.824377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.824377 (E_RNA) where: Base-Base interactions energy: -398.735 where: short stacking energy: -365.517 Base-Backbone interact. energy: -0.006 local terms energy: -539.083607 where: bonds (distance) C4'-P energy: -150.510 bonds (distance) P-C4' energy: -157.985 flat angles C4'-P-C4' energy: -131.293 flat angles P-C4'-P energy: -79.667 tors. eta vs tors. theta energy: -19.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -849.405424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.405424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.405424 (E_RNA) where: Base-Base interactions energy: -372.038 where: short stacking energy: -322.798 Base-Backbone interact. energy: 4.444 local terms energy: -481.811785 where: bonds (distance) C4'-P energy: -121.099 bonds (distance) P-C4' energy: -146.144 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -93.464 tors. eta vs tors. theta energy: 13.480 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: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -803.035326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.035326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.035326 (E_RNA) where: Base-Base interactions energy: -334.419 where: short stacking energy: -255.103 Base-Backbone interact. energy: -0.263 local terms energy: -468.352796 where: bonds (distance) C4'-P energy: -147.604 bonds (distance) P-C4' energy: -135.926 flat angles C4'-P-C4' energy: -115.984 flat angles P-C4'-P energy: -90.687 tors. eta vs tors. theta energy: 21.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2511.545497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.545497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.545497 (E_RNA) where: Base-Base interactions energy: -1554.116 where: short stacking energy: -936.693 Base-Backbone interact. energy: -2.967 local terms energy: -954.462536 where: bonds (distance) C4'-P energy: -188.247 bonds (distance) P-C4' energy: -177.038 flat angles C4'-P-C4' energy: -207.984 flat angles P-C4'-P energy: -138.355 tors. eta vs tors. theta energy: -242.839 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: 179 Temperature: 0.950000 Total energy: -2375.236993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.236993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.236993 (E_RNA) where: Base-Base interactions energy: -1487.436 where: short stacking energy: -881.315 Base-Backbone interact. energy: -4.924 local terms energy: -882.877345 where: bonds (distance) C4'-P energy: -171.860 bonds (distance) P-C4' energy: -179.332 flat angles C4'-P-C4' energy: -187.727 flat angles P-C4'-P energy: -127.778 tors. eta vs tors. theta energy: -216.181 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: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2150.097556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.097556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.097556 (E_RNA) where: Base-Base interactions energy: -1289.042 where: short stacking energy: -809.366 Base-Backbone interact. energy: 0.889 local terms energy: -861.944420 where: bonds (distance) C4'-P energy: -168.589 bonds (distance) P-C4' energy: -178.794 flat angles C4'-P-C4' energy: -198.766 flat angles P-C4'-P energy: -138.045 tors. eta vs tors. theta energy: -177.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1855.451205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.451205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.451205 (E_RNA) where: Base-Base interactions energy: -1088.567 where: short stacking energy: -658.694 Base-Backbone interact. energy: -0.183 local terms energy: -766.701277 where: bonds (distance) C4'-P energy: -167.890 bonds (distance) P-C4' energy: -178.740 flat angles C4'-P-C4' energy: -167.608 flat angles P-C4'-P energy: -103.479 tors. eta vs tors. theta energy: -148.985 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: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1511.106040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.106040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.106040 (E_RNA) where: Base-Base interactions energy: -783.890 where: short stacking energy: -565.268 Base-Backbone interact. energy: 3.070 local terms energy: -730.285575 where: bonds (distance) C4'-P energy: -163.071 bonds (distance) P-C4' energy: -168.405 flat angles C4'-P-C4' energy: -169.914 flat angles P-C4'-P energy: -120.799 tors. eta vs tors. theta energy: -108.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1288.472243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.472243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.472243 (E_RNA) where: Base-Base interactions energy: -647.274 where: short stacking energy: -488.928 Base-Backbone interact. energy: -2.588 local terms energy: -638.610004 where: bonds (distance) C4'-P energy: -163.226 bonds (distance) P-C4' energy: -147.887 flat angles C4'-P-C4' energy: -166.283 flat angles P-C4'-P energy: -107.729 tors. eta vs tors. theta energy: -53.486 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: 179 Temperature: 1.200000 Total energy: -1165.631349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.631349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.631349 (E_RNA) where: Base-Base interactions energy: -549.518 where: short stacking energy: -450.695 Base-Backbone interact. energy: 1.897 local terms energy: -618.010145 where: bonds (distance) C4'-P energy: -152.863 bonds (distance) P-C4' energy: -162.441 flat angles C4'-P-C4' energy: -150.998 flat angles P-C4'-P energy: -87.611 tors. eta vs tors. theta energy: -64.098 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: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -995.476572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.476572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.476572 (E_RNA) where: Base-Base interactions energy: -429.061 where: short stacking energy: -341.868 Base-Backbone interact. energy: -1.729 local terms energy: -564.686608 where: bonds (distance) C4'-P energy: -149.640 bonds (distance) P-C4' energy: -165.120 flat angles C4'-P-C4' energy: -155.415 flat angles P-C4'-P energy: -79.512 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -858.329729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.329729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.329729 (E_RNA) where: Base-Base interactions energy: -352.652 where: short stacking energy: -322.165 Base-Backbone interact. energy: 5.917 local terms energy: -511.594419 where: bonds (distance) C4'-P energy: -127.534 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -142.387 flat angles P-C4'-P energy: -91.399 tors. eta vs tors. theta energy: -10.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -861.503850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.503850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.503850 (E_RNA) where: Base-Base interactions energy: -386.122 where: short stacking energy: -291.436 Base-Backbone interact. energy: 3.126 local terms energy: -478.507794 where: bonds (distance) C4'-P energy: -129.511 bonds (distance) P-C4' energy: -154.533 flat angles C4'-P-C4' energy: -130.356 flat angles P-C4'-P energy: -70.599 tors. eta vs tors. theta energy: 6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2548.720961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.720961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.720961 (E_RNA) where: Base-Base interactions energy: -1586.324 where: short stacking energy: -946.142 Base-Backbone interact. energy: -1.277 local terms energy: -961.120439 where: bonds (distance) C4'-P energy: -179.668 bonds (distance) P-C4' energy: -194.353 flat angles C4'-P-C4' energy: -213.280 flat angles P-C4'-P energy: -127.289 tors. eta vs tors. theta energy: -246.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2380.909234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.909234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.909234 (E_RNA) where: Base-Base interactions energy: -1487.385 where: short stacking energy: -931.805 Base-Backbone interact. energy: -2.796 local terms energy: -890.727643 where: bonds (distance) C4'-P energy: -159.356 bonds (distance) P-C4' energy: -172.864 flat angles C4'-P-C4' energy: -202.753 flat angles P-C4'-P energy: -126.654 tors. eta vs tors. theta energy: -229.101 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: 180 Temperature: 1.000000 Total energy: -2121.288635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.288635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.288635 (E_RNA) where: Base-Base interactions energy: -1276.385 where: short stacking energy: -779.948 Base-Backbone interact. energy: -2.275 local terms energy: -842.629296 where: bonds (distance) C4'-P energy: -170.445 bonds (distance) P-C4' energy: -158.038 flat angles C4'-P-C4' energy: -198.891 flat angles P-C4'-P energy: -128.940 tors. eta vs tors. theta energy: -186.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1907.188913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.188913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.188913 (E_RNA) where: Base-Base interactions energy: -1106.031 where: short stacking energy: -692.999 Base-Backbone interact. energy: 2.600 local terms energy: -803.758668 where: bonds (distance) C4'-P energy: -168.846 bonds (distance) P-C4' energy: -177.711 flat angles C4'-P-C4' energy: -191.009 flat angles P-C4'-P energy: -108.330 tors. eta vs tors. theta energy: -157.863 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: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1565.540282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.540282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.540282 (E_RNA) where: Base-Base interactions energy: -828.357 where: short stacking energy: -601.493 Base-Backbone interact. energy: -2.662 local terms energy: -734.520867 where: bonds (distance) C4'-P energy: -164.744 bonds (distance) P-C4' energy: -180.228 flat angles C4'-P-C4' energy: -174.474 flat angles P-C4'-P energy: -102.558 tors. eta vs tors. theta energy: -112.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1332.005941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.005941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.005941 (E_RNA) where: Base-Base interactions energy: -688.085 where: short stacking energy: -516.375 Base-Backbone interact. energy: -0.217 local terms energy: -643.703577 where: bonds (distance) C4'-P energy: -159.187 bonds (distance) P-C4' energy: -137.964 flat angles C4'-P-C4' energy: -170.086 flat angles P-C4'-P energy: -93.874 tors. eta vs tors. theta energy: -82.591 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: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1056.727766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.727766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.727766 (E_RNA) where: Base-Base interactions energy: -496.388 where: short stacking energy: -387.649 Base-Backbone interact. energy: -1.598 local terms energy: -558.741976 where: bonds (distance) C4'-P energy: -156.176 bonds (distance) P-C4' energy: -157.995 flat angles C4'-P-C4' energy: -143.735 flat angles P-C4'-P energy: -81.836 tors. eta vs tors. theta energy: -19.001 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: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -990.560942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.560942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.560942 (E_RNA) where: Base-Base interactions energy: -446.580 where: short stacking energy: -383.160 Base-Backbone interact. energy: -2.762 local terms energy: -541.219388 where: bonds (distance) C4'-P energy: -151.634 bonds (distance) P-C4' energy: -168.118 flat angles C4'-P-C4' energy: -123.875 flat angles P-C4'-P energy: -75.118 tors. eta vs tors. theta energy: -22.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -893.850504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.850504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.850504 (E_RNA) where: Base-Base interactions energy: -384.445 where: short stacking energy: -327.921 Base-Backbone interact. energy: 3.526 local terms energy: -512.931831 where: bonds (distance) C4'-P energy: -131.527 bonds (distance) P-C4' energy: -148.845 flat angles C4'-P-C4' energy: -145.708 flat angles P-C4'-P energy: -77.663 tors. eta vs tors. theta energy: -9.189 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: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -832.479732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.479732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.479732 (E_RNA) where: Base-Base interactions energy: -343.805 where: short stacking energy: -326.769 Base-Backbone interact. energy: 2.273 local terms energy: -490.946893 where: bonds (distance) C4'-P energy: -117.038 bonds (distance) P-C4' energy: -175.061 flat angles C4'-P-C4' energy: -124.356 flat angles P-C4'-P energy: -73.802 tors. eta vs tors. theta energy: -0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2518.477228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.477228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.477228 (E_RNA) where: Base-Base interactions energy: -1569.436 where: short stacking energy: -960.571 Base-Backbone interact. energy: -3.296 local terms energy: -945.745496 where: bonds (distance) C4'-P energy: -179.638 bonds (distance) P-C4' energy: -182.426 flat angles C4'-P-C4' energy: -208.092 flat angles P-C4'-P energy: -129.888 tors. eta vs tors. theta energy: -245.702 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: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2364.987736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.987736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.987736 (E_RNA) where: Base-Base interactions energy: -1458.777 where: short stacking energy: -897.103 Base-Backbone interact. energy: -0.877 local terms energy: -905.334645 where: bonds (distance) C4'-P energy: -179.729 bonds (distance) P-C4' energy: -171.164 flat angles C4'-P-C4' energy: -174.506 flat angles P-C4'-P energy: -135.317 tors. eta vs tors. theta energy: -244.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2122.344382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.344382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.344382 (E_RNA) where: Base-Base interactions energy: -1299.461 where: short stacking energy: -810.413 Base-Backbone interact. energy: 3.531 local terms energy: -826.414462 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -163.691 flat angles C4'-P-C4' energy: -189.716 flat angles P-C4'-P energy: -139.217 tors. eta vs tors. theta energy: -190.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1965.302485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.302485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.302485 (E_RNA) where: Base-Base interactions energy: -1146.172 where: short stacking energy: -764.873 Base-Backbone interact. energy: -5.057 local terms energy: -814.073843 where: bonds (distance) C4'-P energy: -178.228 bonds (distance) P-C4' energy: -174.612 flat angles C4'-P-C4' energy: -177.676 flat angles P-C4'-P energy: -121.780 tors. eta vs tors. theta energy: -161.778 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: 181 Temperature: 1.100000 Total energy: -1575.721147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.721147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.721147 (E_RNA) where: Base-Base interactions energy: -861.565 where: short stacking energy: -591.387 Base-Backbone interact. energy: -1.864 local terms energy: -712.292273 where: bonds (distance) C4'-P energy: -151.702 bonds (distance) P-C4' energy: -167.111 flat angles C4'-P-C4' energy: -177.932 flat angles P-C4'-P energy: -113.140 tors. eta vs tors. theta energy: -102.408 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: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1322.877905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.877905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.877905 (E_RNA) where: Base-Base interactions energy: -701.859 where: short stacking energy: -501.261 Base-Backbone interact. energy: 0.625 local terms energy: -621.643781 where: bonds (distance) C4'-P energy: -143.447 bonds (distance) P-C4' energy: -155.687 flat angles C4'-P-C4' energy: -165.256 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -59.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1102.719483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.719483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.719483 (E_RNA) where: Base-Base interactions energy: -496.212 where: short stacking energy: -423.562 Base-Backbone interact. energy: -0.956 local terms energy: -605.551482 where: bonds (distance) C4'-P energy: -149.156 bonds (distance) P-C4' energy: -157.492 flat angles C4'-P-C4' energy: -135.393 flat angles P-C4'-P energy: -97.913 tors. eta vs tors. theta energy: -65.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -913.112482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.112482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.112482 (E_RNA) where: Base-Base interactions energy: -424.287 where: short stacking energy: -333.753 Base-Backbone interact. energy: 4.680 local terms energy: -493.505608 where: bonds (distance) C4'-P energy: -145.981 bonds (distance) P-C4' energy: -154.345 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -56.264 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -817.214670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.214670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.214670 (E_RNA) where: Base-Base interactions energy: -345.044 where: short stacking energy: -325.313 Base-Backbone interact. energy: 18.326 local terms energy: -490.496933 where: bonds (distance) C4'-P energy: -147.727 bonds (distance) P-C4' energy: -133.027 flat angles C4'-P-C4' energy: -144.606 flat angles P-C4'-P energy: -67.889 tors. eta vs tors. theta energy: 2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -774.818943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.818943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.818943 (E_RNA) where: Base-Base interactions energy: -322.775 where: short stacking energy: -249.755 Base-Backbone interact. energy: -1.321 local terms energy: -450.723759 where: bonds (distance) C4'-P energy: -112.013 bonds (distance) P-C4' energy: -157.782 flat angles C4'-P-C4' energy: -144.849 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: 29.212 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: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2503.078296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.078296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.078296 (E_RNA) where: Base-Base interactions energy: -1569.352 where: short stacking energy: -959.896 Base-Backbone interact. energy: -1.511 local terms energy: -932.215182 where: bonds (distance) C4'-P energy: -169.056 bonds (distance) P-C4' energy: -172.488 flat angles C4'-P-C4' energy: -213.730 flat angles P-C4'-P energy: -130.358 tors. eta vs tors. theta energy: -246.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2357.820150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.820150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.820150 (E_RNA) where: Base-Base interactions energy: -1448.188 where: short stacking energy: -880.981 Base-Backbone interact. energy: -5.538 local terms energy: -904.093964 where: bonds (distance) C4'-P energy: -171.407 bonds (distance) P-C4' energy: -184.919 flat angles C4'-P-C4' energy: -186.234 flat angles P-C4'-P energy: -134.007 tors. eta vs tors. theta energy: -227.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2079.896597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.896597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.896597 (E_RNA) where: Base-Base interactions energy: -1231.174 where: short stacking energy: -786.607 Base-Backbone interact. energy: -5.278 local terms energy: -843.444125 where: bonds (distance) C4'-P energy: -168.861 bonds (distance) P-C4' energy: -191.113 flat angles C4'-P-C4' energy: -185.710 flat angles P-C4'-P energy: -107.960 tors. eta vs tors. theta energy: -189.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1943.448551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.448551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.448551 (E_RNA) where: Base-Base interactions energy: -1170.695 where: short stacking energy: -719.614 Base-Backbone interact. energy: -2.461 local terms energy: -770.292059 where: bonds (distance) C4'-P energy: -163.491 bonds (distance) P-C4' energy: -169.412 flat angles C4'-P-C4' energy: -189.320 flat angles P-C4'-P energy: -98.483 tors. eta vs tors. theta energy: -149.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1641.764456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.764456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.764456 (E_RNA) where: Base-Base interactions energy: -896.168 where: short stacking energy: -581.331 Base-Backbone interact. energy: 0.527 local terms energy: -746.123503 where: bonds (distance) C4'-P energy: -142.587 bonds (distance) P-C4' energy: -167.950 flat angles C4'-P-C4' energy: -186.658 flat angles P-C4'-P energy: -128.009 tors. eta vs tors. theta energy: -120.920 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1369.766398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.766398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.766398 (E_RNA) where: Base-Base interactions energy: -689.265 where: short stacking energy: -505.851 Base-Backbone interact. energy: -4.332 local terms energy: -676.168956 where: bonds (distance) C4'-P energy: -159.789 bonds (distance) P-C4' energy: -158.773 flat angles C4'-P-C4' energy: -171.100 flat angles P-C4'-P energy: -101.665 tors. eta vs tors. theta energy: -84.843 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: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1041.497359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.497359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.497359 (E_RNA) where: Base-Base interactions energy: -441.936 where: short stacking energy: -358.775 Base-Backbone interact. energy: -0.597 local terms energy: -598.964560 where: bonds (distance) C4'-P energy: -166.571 bonds (distance) P-C4' energy: -156.308 flat angles C4'-P-C4' energy: -154.700 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -31.006 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: 182 Temperature: 1.250000 Total energy: -934.629721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.629721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.629721 (E_RNA) where: Base-Base interactions energy: -428.579 where: short stacking energy: -363.560 Base-Backbone interact. energy: 9.331 local terms energy: -515.381711 where: bonds (distance) C4'-P energy: -149.903 bonds (distance) P-C4' energy: -150.167 flat angles C4'-P-C4' energy: -139.971 flat angles P-C4'-P energy: -70.050 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -840.962015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.962015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.962015 (E_RNA) where: Base-Base interactions energy: -377.969 where: short stacking energy: -303.864 Base-Backbone interact. energy: -0.916 local terms energy: -462.077841 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -154.027 flat angles C4'-P-C4' energy: -114.064 flat angles P-C4'-P energy: -74.933 tors. eta vs tors. theta energy: 21.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -784.495537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.495537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.495537 (E_RNA) where: Base-Base interactions energy: -309.370 where: short stacking energy: -277.432 Base-Backbone interact. energy: 1.267 local terms energy: -476.391977 where: bonds (distance) C4'-P energy: -151.050 bonds (distance) P-C4' energy: -150.100 flat angles C4'-P-C4' energy: -130.639 flat angles P-C4'-P energy: -70.080 tors. eta vs tors. theta energy: 25.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2517.842589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.842589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.842589 (E_RNA) where: Base-Base interactions energy: -1572.545 where: short stacking energy: -949.097 Base-Backbone interact. energy: -3.049 local terms energy: -942.248425 where: bonds (distance) C4'-P energy: -168.401 bonds (distance) P-C4' energy: -190.848 flat angles C4'-P-C4' energy: -204.302 flat angles P-C4'-P energy: -140.733 tors. eta vs tors. theta energy: -237.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2380.695260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.695260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.695260 (E_RNA) where: Base-Base interactions energy: -1441.820 where: short stacking energy: -870.725 Base-Backbone interact. energy: -9.767 local terms energy: -929.108602 where: bonds (distance) C4'-P energy: -174.706 bonds (distance) P-C4' energy: -174.155 flat angles C4'-P-C4' energy: -194.347 flat angles P-C4'-P energy: -152.546 tors. eta vs tors. theta energy: -233.355 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: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2064.707769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.707769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.707769 (E_RNA) where: Base-Base interactions energy: -1261.893 where: short stacking energy: -785.485 Base-Backbone interact. energy: -1.136 local terms energy: -801.678175 where: bonds (distance) C4'-P energy: -174.289 bonds (distance) P-C4' energy: -163.858 flat angles C4'-P-C4' energy: -178.190 flat angles P-C4'-P energy: -112.998 tors. eta vs tors. theta energy: -172.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1910.128047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.128047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.128047 (E_RNA) where: Base-Base interactions energy: -1148.995 where: short stacking energy: -695.002 Base-Backbone interact. energy: -1.805 local terms energy: -759.327935 where: bonds (distance) C4'-P energy: -169.129 bonds (distance) P-C4' energy: -157.037 flat angles C4'-P-C4' energy: -173.622 flat angles P-C4'-P energy: -110.662 tors. eta vs tors. theta energy: -148.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1673.639447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.639447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.639447 (E_RNA) where: Base-Base interactions energy: -943.728 where: short stacking energy: -598.083 Base-Backbone interact. energy: 2.083 local terms energy: -731.994500 where: bonds (distance) C4'-P energy: -173.646 bonds (distance) P-C4' energy: -161.246 flat angles C4'-P-C4' energy: -172.199 flat angles P-C4'-P energy: -107.833 tors. eta vs tors. theta energy: -117.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1347.794676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.794676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.794676 (E_RNA) where: Base-Base interactions energy: -670.144 where: short stacking energy: -494.626 Base-Backbone interact. energy: 3.259 local terms energy: -680.909521 where: bonds (distance) C4'-P energy: -154.552 bonds (distance) P-C4' energy: -177.276 flat angles C4'-P-C4' energy: -170.199 flat angles P-C4'-P energy: -95.254 tors. eta vs tors. theta energy: -83.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1069.271495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.271495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.271495 (E_RNA) where: Base-Base interactions energy: -473.378 where: short stacking energy: -405.436 Base-Backbone interact. energy: 0.003 local terms energy: -595.896618 where: bonds (distance) C4'-P energy: -133.188 bonds (distance) P-C4' energy: -164.039 flat angles C4'-P-C4' energy: -171.164 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -51.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -943.202382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.202382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.202382 (E_RNA) where: Base-Base interactions energy: -397.769 where: short stacking energy: -325.563 Base-Backbone interact. energy: 0.075 local terms energy: -545.507870 where: bonds (distance) C4'-P energy: -152.636 bonds (distance) P-C4' energy: -174.529 flat angles C4'-P-C4' energy: -133.579 flat angles P-C4'-P energy: -71.433 tors. eta vs tors. theta energy: -13.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -810.206230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.206230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.206230 (E_RNA) where: Base-Base interactions energy: -344.981 where: short stacking energy: -288.136 Base-Backbone interact. energy: 3.733 local terms energy: -468.958158 where: bonds (distance) C4'-P energy: -128.769 bonds (distance) P-C4' energy: -155.896 flat angles C4'-P-C4' energy: -123.185 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: 19.396 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: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -804.588013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.588013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.588013 (E_RNA) where: Base-Base interactions energy: -354.661 where: short stacking energy: -305.052 Base-Backbone interact. energy: 2.717 local terms energy: -452.644273 where: bonds (distance) C4'-P energy: -129.435 bonds (distance) P-C4' energy: -138.449 flat angles C4'-P-C4' energy: -127.050 flat angles P-C4'-P energy: -73.427 tors. eta vs tors. theta energy: 15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2501.458185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.458185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.458185 (E_RNA) where: Base-Base interactions energy: -1563.845 where: short stacking energy: -917.414 Base-Backbone interact. energy: -3.309 local terms energy: -934.303884 where: bonds (distance) C4'-P energy: -178.696 bonds (distance) P-C4' energy: -181.599 flat angles C4'-P-C4' energy: -195.606 flat angles P-C4'-P energy: -144.398 tors. eta vs tors. theta energy: -234.005 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: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2340.635824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.635824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.635824 (E_RNA) where: Base-Base interactions energy: -1425.896 where: short stacking energy: -844.658 Base-Backbone interact. energy: -5.810 local terms energy: -908.929904 where: bonds (distance) C4'-P energy: -169.341 bonds (distance) P-C4' energy: -184.556 flat angles C4'-P-C4' energy: -194.303 flat angles P-C4'-P energy: -137.576 tors. eta vs tors. theta energy: -223.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2132.922709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.922709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.922709 (E_RNA) where: Base-Base interactions energy: -1279.842 where: short stacking energy: -799.083 Base-Backbone interact. energy: -2.261 local terms energy: -850.819420 where: bonds (distance) C4'-P energy: -175.007 bonds (distance) P-C4' energy: -172.256 flat angles C4'-P-C4' energy: -191.311 flat angles P-C4'-P energy: -120.784 tors. eta vs tors. theta energy: -191.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1931.886328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.886328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.886328 (E_RNA) where: Base-Base interactions energy: -1138.148 where: short stacking energy: -724.794 Base-Backbone interact. energy: -2.363 local terms energy: -791.375498 where: bonds (distance) C4'-P energy: -143.265 bonds (distance) P-C4' energy: -179.802 flat angles C4'-P-C4' energy: -183.670 flat angles P-C4'-P energy: -123.339 tors. eta vs tors. theta energy: -161.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1610.932606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.932606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.932606 (E_RNA) where: Base-Base interactions energy: -867.107 where: short stacking energy: -597.592 Base-Backbone interact. energy: 1.513 local terms energy: -745.338811 where: bonds (distance) C4'-P energy: -187.289 bonds (distance) P-C4' energy: -167.665 flat angles C4'-P-C4' energy: -157.558 flat angles P-C4'-P energy: -104.122 tors. eta vs tors. theta energy: -128.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1299.199829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.199829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.199829 (E_RNA) where: Base-Base interactions energy: -679.789 where: short stacking energy: -459.650 Base-Backbone interact. energy: 4.658 local terms energy: -624.068372 where: bonds (distance) C4'-P energy: -170.821 bonds (distance) P-C4' energy: -151.088 flat angles C4'-P-C4' energy: -147.098 flat angles P-C4'-P energy: -103.946 tors. eta vs tors. theta energy: -51.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1059.734557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.734557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.734557 (E_RNA) where: Base-Base interactions energy: -488.130 where: short stacking energy: -385.156 Base-Backbone interact. energy: 1.988 local terms energy: -573.591813 where: bonds (distance) C4'-P energy: -145.774 bonds (distance) P-C4' energy: -143.774 flat angles C4'-P-C4' energy: -156.402 flat angles P-C4'-P energy: -92.801 tors. eta vs tors. theta energy: -34.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -975.337508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.337508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.337508 (E_RNA) where: Base-Base interactions energy: -407.596 where: short stacking energy: -325.287 Base-Backbone interact. energy: -2.756 local terms energy: -564.985734 where: bonds (distance) C4'-P energy: -158.370 bonds (distance) P-C4' energy: -170.046 flat angles C4'-P-C4' energy: -127.870 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -16.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -868.640254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.640254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.640254 (E_RNA) where: Base-Base interactions energy: -364.665 where: short stacking energy: -330.374 Base-Backbone interact. energy: 5.676 local terms energy: -509.651051 where: bonds (distance) C4'-P energy: -140.971 bonds (distance) P-C4' energy: -165.427 flat angles C4'-P-C4' energy: -120.428 flat angles P-C4'-P energy: -79.369 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -774.142361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.142361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.142361 (E_RNA) where: Base-Base interactions energy: -318.205 where: short stacking energy: -266.445 Base-Backbone interact. energy: -0.524 local terms energy: -455.413547 where: bonds (distance) C4'-P energy: -130.999 bonds (distance) P-C4' energy: -142.585 flat angles C4'-P-C4' energy: -104.274 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: 14.887 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: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2503.883688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.883688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.883688 (E_RNA) where: Base-Base interactions energy: -1541.935 where: short stacking energy: -900.123 Base-Backbone interact. energy: -3.263 local terms energy: -958.686064 where: bonds (distance) C4'-P energy: -202.015 bonds (distance) P-C4' energy: -185.397 flat angles C4'-P-C4' energy: -196.319 flat angles P-C4'-P energy: -126.745 tors. eta vs tors. theta energy: -248.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2374.727951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.727951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.727951 (E_RNA) where: Base-Base interactions energy: -1466.763 where: short stacking energy: -864.962 Base-Backbone interact. energy: 1.237 local terms energy: -909.201926 where: bonds (distance) C4'-P energy: -186.308 bonds (distance) P-C4' energy: -177.641 flat angles C4'-P-C4' energy: -190.150 flat angles P-C4'-P energy: -135.837 tors. eta vs tors. theta energy: -219.267 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: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2152.980134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.980134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.980134 (E_RNA) where: Base-Base interactions energy: -1303.017 where: short stacking energy: -844.918 Base-Backbone interact. energy: -1.570 local terms energy: -848.392966 where: bonds (distance) C4'-P energy: -140.761 bonds (distance) P-C4' energy: -186.229 flat angles C4'-P-C4' energy: -196.707 flat angles P-C4'-P energy: -122.769 tors. eta vs tors. theta energy: -201.927 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: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1917.262433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.262433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.262433 (E_RNA) where: Base-Base interactions energy: -1124.615 where: short stacking energy: -692.370 Base-Backbone interact. energy: -2.744 local terms energy: -789.902651 where: bonds (distance) C4'-P energy: -182.072 bonds (distance) P-C4' energy: -183.469 flat angles C4'-P-C4' energy: -167.077 flat angles P-C4'-P energy: -109.050 tors. eta vs tors. theta energy: -148.235 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: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1611.521572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.521572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.521572 (E_RNA) where: Base-Base interactions energy: -877.141 where: short stacking energy: -575.863 Base-Backbone interact. energy: 0.274 local terms energy: -734.654971 where: bonds (distance) C4'-P energy: -155.386 bonds (distance) P-C4' energy: -180.752 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -108.538 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: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1340.329237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.329237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.329237 (E_RNA) where: Base-Base interactions energy: -700.404 where: short stacking energy: -512.689 Base-Backbone interact. energy: -1.412 local terms energy: -638.512832 where: bonds (distance) C4'-P energy: -160.434 bonds (distance) P-C4' energy: -156.307 flat angles C4'-P-C4' energy: -163.292 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -68.201 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: 185 Temperature: 1.200000 Total energy: -1013.670292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.670292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.670292 (E_RNA) where: Base-Base interactions energy: -454.309 where: short stacking energy: -372.373 Base-Backbone interact. energy: 0.404 local terms energy: -559.765241 where: bonds (distance) C4'-P energy: -160.632 bonds (distance) P-C4' energy: -163.015 flat angles C4'-P-C4' energy: -153.896 flat angles P-C4'-P energy: -97.891 tors. eta vs tors. theta energy: 15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -985.342204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.342204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.342204 (E_RNA) where: Base-Base interactions energy: -461.817 where: short stacking energy: -357.164 Base-Backbone interact. energy: -0.937 local terms energy: -522.588104 where: bonds (distance) C4'-P energy: -144.036 bonds (distance) P-C4' energy: -171.412 flat angles C4'-P-C4' energy: -125.421 flat angles P-C4'-P energy: -88.615 tors. eta vs tors. theta energy: 6.896 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: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -821.010296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.010296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.010296 (E_RNA) where: Base-Base interactions energy: -329.819 where: short stacking energy: -298.178 Base-Backbone interact. energy: 2.557 local terms energy: -493.747329 where: bonds (distance) C4'-P energy: -154.137 bonds (distance) P-C4' energy: -160.489 flat angles C4'-P-C4' energy: -139.396 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: 4.844 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: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -782.091481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.091481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.091481 (E_RNA) where: Base-Base interactions energy: -285.113 where: short stacking energy: -251.937 Base-Backbone interact. energy: -1.026 local terms energy: -495.952895 where: bonds (distance) C4'-P energy: -135.854 bonds (distance) P-C4' energy: -165.710 flat angles C4'-P-C4' energy: -130.773 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: 24.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2578.359211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.359211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.359211 (E_RNA) where: Base-Base interactions energy: -1647.560 where: short stacking energy: -932.685 Base-Backbone interact. energy: -3.924 local terms energy: -926.875244 where: bonds (distance) C4'-P energy: -177.532 bonds (distance) P-C4' energy: -195.267 flat angles C4'-P-C4' energy: -190.955 flat angles P-C4'-P energy: -121.156 tors. eta vs tors. theta energy: -241.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2369.830672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.830672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.830672 (E_RNA) where: Base-Base interactions energy: -1449.828 where: short stacking energy: -849.985 Base-Backbone interact. energy: -1.413 local terms energy: -918.590160 where: bonds (distance) C4'-P energy: -173.273 bonds (distance) P-C4' energy: -186.972 flat angles C4'-P-C4' energy: -211.724 flat angles P-C4'-P energy: -133.727 tors. eta vs tors. theta energy: -212.894 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: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2196.627084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.627084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.627084 (E_RNA) where: Base-Base interactions energy: -1345.467 where: short stacking energy: -869.252 Base-Backbone interact. energy: -0.761 local terms energy: -850.398784 where: bonds (distance) C4'-P energy: -161.781 bonds (distance) P-C4' energy: -170.173 flat angles C4'-P-C4' energy: -182.619 flat angles P-C4'-P energy: -133.513 tors. eta vs tors. theta energy: -202.312 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: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1859.418687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.418687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.418687 (E_RNA) where: Base-Base interactions energy: -1051.734 where: short stacking energy: -669.095 Base-Backbone interact. energy: -1.219 local terms energy: -806.464944 where: bonds (distance) C4'-P energy: -182.754 bonds (distance) P-C4' energy: -179.973 flat angles C4'-P-C4' energy: -162.886 flat angles P-C4'-P energy: -127.545 tors. eta vs tors. theta energy: -153.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1583.030571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.030571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.030571 (E_RNA) where: Base-Base interactions energy: -874.233 where: short stacking energy: -578.078 Base-Backbone interact. energy: -1.158 local terms energy: -707.639595 where: bonds (distance) C4'-P energy: -152.339 bonds (distance) P-C4' energy: -170.899 flat angles C4'-P-C4' energy: -161.288 flat angles P-C4'-P energy: -100.513 tors. eta vs tors. theta energy: -122.600 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: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1411.091694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.091694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.091694 (E_RNA) where: Base-Base interactions energy: -714.354 where: short stacking energy: -468.452 Base-Backbone interact. energy: -3.346 local terms energy: -693.391829 where: bonds (distance) C4'-P energy: -146.685 bonds (distance) P-C4' energy: -174.394 flat angles C4'-P-C4' energy: -173.163 flat angles P-C4'-P energy: -105.777 tors. eta vs tors. theta energy: -93.372 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1093.042536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.042536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.042536 (E_RNA) where: Base-Base interactions energy: -504.905 where: short stacking energy: -416.587 Base-Backbone interact. energy: -2.708 local terms energy: -585.429535 where: bonds (distance) C4'-P energy: -150.725 bonds (distance) P-C4' energy: -154.312 flat angles C4'-P-C4' energy: -157.136 flat angles P-C4'-P energy: -69.249 tors. eta vs tors. theta energy: -54.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -937.596014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.596014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.596014 (E_RNA) where: Base-Base interactions energy: -393.294 where: short stacking energy: -294.861 Base-Backbone interact. energy: 0.417 local terms energy: -544.718671 where: bonds (distance) C4'-P energy: -145.497 bonds (distance) P-C4' energy: -172.021 flat angles C4'-P-C4' energy: -124.067 flat angles P-C4'-P energy: -99.882 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -843.196875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.196875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.196875 (E_RNA) where: Base-Base interactions energy: -341.889 where: short stacking energy: -283.266 Base-Backbone interact. energy: 0.038 local terms energy: -501.346183 where: bonds (distance) C4'-P energy: -139.765 bonds (distance) P-C4' energy: -159.880 flat angles C4'-P-C4' energy: -155.962 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: 0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -776.516408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.516408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.516408 (E_RNA) where: Base-Base interactions energy: -295.603 where: short stacking energy: -266.723 Base-Backbone interact. energy: 0.136 local terms energy: -481.049198 where: bonds (distance) C4'-P energy: -136.889 bonds (distance) P-C4' energy: -158.999 flat angles C4'-P-C4' energy: -120.982 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: 14.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2558.475835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.475835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.475835 (E_RNA) where: Base-Base interactions energy: -1610.779 where: short stacking energy: -945.062 Base-Backbone interact. energy: 1.104 local terms energy: -948.800913 where: bonds (distance) C4'-P energy: -180.411 bonds (distance) P-C4' energy: -188.291 flat angles C4'-P-C4' energy: -212.012 flat angles P-C4'-P energy: -125.479 tors. eta vs tors. theta energy: -242.609 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: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2425.156781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.156781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.156781 (E_RNA) where: Base-Base interactions energy: -1530.124 where: short stacking energy: -891.089 Base-Backbone interact. energy: -3.711 local terms energy: -891.322315 where: bonds (distance) C4'-P energy: -159.480 bonds (distance) P-C4' energy: -182.438 flat angles C4'-P-C4' energy: -205.468 flat angles P-C4'-P energy: -126.105 tors. eta vs tors. theta energy: -217.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2188.484098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.484098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.484098 (E_RNA) where: Base-Base interactions energy: -1332.239 where: short stacking energy: -858.462 Base-Backbone interact. energy: -4.430 local terms energy: -851.815576 where: bonds (distance) C4'-P energy: -166.473 bonds (distance) P-C4' energy: -178.640 flat angles C4'-P-C4' energy: -191.876 flat angles P-C4'-P energy: -120.613 tors. eta vs tors. theta energy: -194.213 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: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1832.885815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.885815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.885815 (E_RNA) where: Base-Base interactions energy: -1043.687 where: short stacking energy: -666.879 Base-Backbone interact. energy: -3.280 local terms energy: -785.919120 where: bonds (distance) C4'-P energy: -173.671 bonds (distance) P-C4' energy: -177.336 flat angles C4'-P-C4' energy: -176.563 flat angles P-C4'-P energy: -126.888 tors. eta vs tors. theta energy: -131.461 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: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1578.731483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.731483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.731483 (E_RNA) where: Base-Base interactions energy: -852.093 where: short stacking energy: -558.409 Base-Backbone interact. energy: -2.812 local terms energy: -723.826375 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -185.771 flat angles C4'-P-C4' energy: -177.596 flat angles P-C4'-P energy: -108.648 tors. eta vs tors. theta energy: -98.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1448.017199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.017199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.017199 (E_RNA) where: Base-Base interactions energy: -762.244 where: short stacking energy: -501.441 Base-Backbone interact. energy: -2.683 local terms energy: -683.090086 where: bonds (distance) C4'-P energy: -147.268 bonds (distance) P-C4' energy: -166.032 flat angles C4'-P-C4' energy: -161.587 flat angles P-C4'-P energy: -115.717 tors. eta vs tors. theta energy: -92.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1069.866405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.866405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.866405 (E_RNA) where: Base-Base interactions energy: -441.477 where: short stacking energy: -385.819 Base-Backbone interact. energy: -0.786 local terms energy: -627.603436 where: bonds (distance) C4'-P energy: -174.225 bonds (distance) P-C4' energy: -156.760 flat angles C4'-P-C4' energy: -156.492 flat angles P-C4'-P energy: -97.169 tors. eta vs tors. theta energy: -42.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -960.090716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.090716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.090716 (E_RNA) where: Base-Base interactions energy: -401.747 where: short stacking energy: -333.733 Base-Backbone interact. energy: 3.902 local terms energy: -562.245324 where: bonds (distance) C4'-P energy: -157.926 bonds (distance) P-C4' energy: -166.616 flat angles C4'-P-C4' energy: -155.308 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -837.795533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.795533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.795533 (E_RNA) where: Base-Base interactions energy: -293.553 where: short stacking energy: -284.185 Base-Backbone interact. energy: 0.655 local terms energy: -544.896717 where: bonds (distance) C4'-P energy: -151.619 bonds (distance) P-C4' energy: -171.903 flat angles C4'-P-C4' energy: -140.616 flat angles P-C4'-P energy: -84.446 tors. eta vs tors. theta energy: 3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -766.603811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.603811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.603811 (E_RNA) where: Base-Base interactions energy: -299.688 where: short stacking energy: -279.370 Base-Backbone interact. energy: -1.127 local terms energy: -465.789518 where: bonds (distance) C4'-P energy: -139.417 bonds (distance) P-C4' energy: -157.384 flat angles C4'-P-C4' energy: -124.986 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: 11.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2534.887938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.887938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.887938 (E_RNA) where: Base-Base interactions energy: -1615.297 where: short stacking energy: -929.241 Base-Backbone interact. energy: -2.616 local terms energy: -916.974749 where: bonds (distance) C4'-P energy: -162.742 bonds (distance) P-C4' energy: -196.401 flat angles C4'-P-C4' energy: -200.567 flat angles P-C4'-P energy: -125.199 tors. eta vs tors. theta energy: -232.066 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: 188 Temperature: 0.950000 Total energy: -2434.869492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.869492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.869492 (E_RNA) where: Base-Base interactions energy: -1535.747 where: short stacking energy: -926.541 Base-Backbone interact. energy: -4.466 local terms energy: -894.656360 where: bonds (distance) C4'-P energy: -163.066 bonds (distance) P-C4' energy: -169.809 flat angles C4'-P-C4' energy: -206.912 flat angles P-C4'-P energy: -122.745 tors. eta vs tors. theta energy: -232.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2082.525506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.525506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.525506 (E_RNA) where: Base-Base interactions energy: -1263.363 where: short stacking energy: -782.816 Base-Backbone interact. energy: -1.699 local terms energy: -817.463581 where: bonds (distance) C4'-P energy: -180.810 bonds (distance) P-C4' energy: -187.462 flat angles C4'-P-C4' energy: -169.489 flat angles P-C4'-P energy: -91.132 tors. eta vs tors. theta energy: -188.570 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: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1872.391196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.391196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.391196 (E_RNA) where: Base-Base interactions energy: -1109.092 where: short stacking energy: -702.117 Base-Backbone interact. energy: 3.748 local terms energy: -767.047092 where: bonds (distance) C4'-P energy: -139.436 bonds (distance) P-C4' energy: -173.504 flat angles C4'-P-C4' energy: -191.868 flat angles P-C4'-P energy: -113.889 tors. eta vs tors. theta energy: -148.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1580.307235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.307235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.307235 (E_RNA) where: Base-Base interactions energy: -882.236 where: short stacking energy: -566.614 Base-Backbone interact. energy: -0.317 local terms energy: -697.753826 where: bonds (distance) C4'-P energy: -160.153 bonds (distance) P-C4' energy: -169.828 flat angles C4'-P-C4' energy: -159.771 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -107.964 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: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1402.164258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.164258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.164258 (E_RNA) where: Base-Base interactions energy: -773.627 where: short stacking energy: -481.707 Base-Backbone interact. energy: -2.708 local terms energy: -625.829231 where: bonds (distance) C4'-P energy: -149.315 bonds (distance) P-C4' energy: -169.053 flat angles C4'-P-C4' energy: -149.856 flat angles P-C4'-P energy: -94.642 tors. eta vs tors. theta energy: -62.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1196.284123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.284123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.284123 (E_RNA) where: Base-Base interactions energy: -598.185 where: short stacking energy: -428.960 Base-Backbone interact. energy: 0.291 local terms energy: -598.390717 where: bonds (distance) C4'-P energy: -167.488 bonds (distance) P-C4' energy: -148.014 flat angles C4'-P-C4' energy: -143.260 flat angles P-C4'-P energy: -94.731 tors. eta vs tors. theta energy: -44.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -909.399699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.399699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.399699 (E_RNA) where: Base-Base interactions energy: -397.515 where: short stacking energy: -356.030 Base-Backbone interact. energy: -2.732 local terms energy: -509.152532 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -165.121 flat angles C4'-P-C4' energy: -127.293 flat angles P-C4'-P energy: -77.236 tors. eta vs tors. theta energy: 0.512 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: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -849.120944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.120944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.120944 (E_RNA) where: Base-Base interactions energy: -335.353 where: short stacking energy: -306.608 Base-Backbone interact. energy: 5.135 local terms energy: -518.903114 where: bonds (distance) C4'-P energy: -145.660 bonds (distance) P-C4' energy: -148.657 flat angles C4'-P-C4' energy: -154.920 flat angles P-C4'-P energy: -66.421 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -759.218870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.218870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.218870 (E_RNA) where: Base-Base interactions energy: -308.209 where: short stacking energy: -260.059 Base-Backbone interact. energy: 2.377 local terms energy: -453.387373 where: bonds (distance) C4'-P energy: -134.661 bonds (distance) P-C4' energy: -138.449 flat angles C4'-P-C4' energy: -127.090 flat angles P-C4'-P energy: -82.036 tors. eta vs tors. theta energy: 28.849 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: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2537.796036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.796036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.796036 (E_RNA) where: Base-Base interactions energy: -1596.591 where: short stacking energy: -931.098 Base-Backbone interact. energy: -3.538 local terms energy: -937.666608 where: bonds (distance) C4'-P energy: -193.260 bonds (distance) P-C4' energy: -171.992 flat angles C4'-P-C4' energy: -210.826 flat angles P-C4'-P energy: -140.077 tors. eta vs tors. theta energy: -221.512 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: 189 Temperature: 0.950000 Total energy: -2393.615311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.615311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.615311 (E_RNA) where: Base-Base interactions energy: -1454.406 where: short stacking energy: -874.244 Base-Backbone interact. energy: -2.377 local terms energy: -936.832503 where: bonds (distance) C4'-P energy: -177.649 bonds (distance) P-C4' energy: -169.757 flat angles C4'-P-C4' energy: -201.389 flat angles P-C4'-P energy: -152.813 tors. eta vs tors. theta energy: -235.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2089.785489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.785489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.785489 (E_RNA) where: Base-Base interactions energy: -1268.850 where: short stacking energy: -810.299 Base-Backbone interact. energy: -2.904 local terms energy: -818.031527 where: bonds (distance) C4'-P energy: -157.450 bonds (distance) P-C4' energy: -177.970 flat angles C4'-P-C4' energy: -183.933 flat angles P-C4'-P energy: -112.606 tors. eta vs tors. theta energy: -186.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1961.687247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.687247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.687247 (E_RNA) where: Base-Base interactions energy: -1160.344 where: short stacking energy: -751.924 Base-Backbone interact. energy: -1.413 local terms energy: -799.931003 where: bonds (distance) C4'-P energy: -175.340 bonds (distance) P-C4' energy: -166.984 flat angles C4'-P-C4' energy: -162.412 flat angles P-C4'-P energy: -112.205 tors. eta vs tors. theta energy: -182.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1664.985526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.985526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.985526 (E_RNA) where: Base-Base interactions energy: -931.074 where: short stacking energy: -653.461 Base-Backbone interact. energy: -0.669 local terms energy: -733.242456 where: bonds (distance) C4'-P energy: -159.665 bonds (distance) P-C4' energy: -147.829 flat angles C4'-P-C4' energy: -165.508 flat angles P-C4'-P energy: -114.759 tors. eta vs tors. theta energy: -145.481 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: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1357.402456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.402456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.402456 (E_RNA) where: Base-Base interactions energy: -737.717 where: short stacking energy: -506.383 Base-Backbone interact. energy: 0.514 local terms energy: -620.199447 where: bonds (distance) C4'-P energy: -151.827 bonds (distance) P-C4' energy: -161.022 flat angles C4'-P-C4' energy: -159.370 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -61.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1196.075515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.075515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.075515 (E_RNA) where: Base-Base interactions energy: -601.609 where: short stacking energy: -464.480 Base-Backbone interact. energy: -1.297 local terms energy: -593.169614 where: bonds (distance) C4'-P energy: -159.240 bonds (distance) P-C4' energy: -162.006 flat angles C4'-P-C4' energy: -141.816 flat angles P-C4'-P energy: -80.998 tors. eta vs tors. theta energy: -49.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -900.444179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.444179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.444179 (E_RNA) where: Base-Base interactions energy: -415.592 where: short stacking energy: -336.603 Base-Backbone interact. energy: 1.339 local terms energy: -486.191385 where: bonds (distance) C4'-P energy: -138.370 bonds (distance) P-C4' energy: -151.973 flat angles C4'-P-C4' energy: -131.360 flat angles P-C4'-P energy: -77.397 tors. eta vs tors. theta energy: 12.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -824.635340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.635340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.635340 (E_RNA) where: Base-Base interactions energy: -307.974 where: short stacking energy: -264.277 Base-Backbone interact. energy: -4.254 local terms energy: -512.406770 where: bonds (distance) C4'-P energy: -151.639 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -139.167 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -4.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -795.721104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.721104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.721104 (E_RNA) where: Base-Base interactions energy: -340.524 where: short stacking energy: -300.136 Base-Backbone interact. energy: 2.690 local terms energy: -457.886707 where: bonds (distance) C4'-P energy: -122.147 bonds (distance) P-C4' energy: -166.766 flat angles C4'-P-C4' energy: -97.161 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: 1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2592.725694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.725694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.725694 (E_RNA) where: Base-Base interactions energy: -1622.494 where: short stacking energy: -952.330 Base-Backbone interact. energy: -6.965 local terms energy: -963.266514 where: bonds (distance) C4'-P energy: -175.634 bonds (distance) P-C4' energy: -193.283 flat angles C4'-P-C4' energy: -215.043 flat angles P-C4'-P energy: -138.477 tors. eta vs tors. theta energy: -240.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2403.282941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.282941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.282941 (E_RNA) where: Base-Base interactions energy: -1502.248 where: short stacking energy: -914.439 Base-Backbone interact. energy: -6.708 local terms energy: -894.326731 where: bonds (distance) C4'-P energy: -160.708 bonds (distance) P-C4' energy: -171.263 flat angles C4'-P-C4' energy: -201.824 flat angles P-C4'-P energy: -135.190 tors. eta vs tors. theta energy: -225.343 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: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2137.043772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.043772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.043772 (E_RNA) where: Base-Base interactions energy: -1290.253 where: short stacking energy: -809.240 Base-Backbone interact. energy: -0.661 local terms energy: -846.129081 where: bonds (distance) C4'-P energy: -166.241 bonds (distance) P-C4' energy: -184.688 flat angles C4'-P-C4' energy: -181.804 flat angles P-C4'-P energy: -122.002 tors. eta vs tors. theta energy: -191.396 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: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1897.094691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.094691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.094691 (E_RNA) where: Base-Base interactions energy: -1073.014 where: short stacking energy: -686.443 Base-Backbone interact. energy: -0.890 local terms energy: -823.191180 where: bonds (distance) C4'-P energy: -170.598 bonds (distance) P-C4' energy: -177.714 flat angles C4'-P-C4' energy: -180.493 flat angles P-C4'-P energy: -126.718 tors. eta vs tors. theta energy: -167.669 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: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1673.808159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.808159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.808159 (E_RNA) where: Base-Base interactions energy: -946.202 where: short stacking energy: -616.023 Base-Backbone interact. energy: -4.366 local terms energy: -723.240130 where: bonds (distance) C4'-P energy: -141.581 bonds (distance) P-C4' energy: -181.400 flat angles C4'-P-C4' energy: -183.245 flat angles P-C4'-P energy: -92.658 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: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1395.440480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.440480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.440480 (E_RNA) where: Base-Base interactions energy: -736.966 where: short stacking energy: -496.960 Base-Backbone interact. energy: -2.192 local terms energy: -656.283146 where: bonds (distance) C4'-P energy: -147.971 bonds (distance) P-C4' energy: -184.633 flat angles C4'-P-C4' energy: -154.196 flat angles P-C4'-P energy: -93.322 tors. eta vs tors. theta energy: -76.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1160.214806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.214806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.214806 (E_RNA) where: Base-Base interactions energy: -570.747 where: short stacking energy: -418.986 Base-Backbone interact. energy: 3.740 local terms energy: -593.207588 where: bonds (distance) C4'-P energy: -170.499 bonds (distance) P-C4' energy: -163.476 flat angles C4'-P-C4' energy: -156.803 flat angles P-C4'-P energy: -79.741 tors. eta vs tors. theta energy: -22.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -968.268283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.268283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.268283 (E_RNA) where: Base-Base interactions energy: -423.334 where: short stacking energy: -368.514 Base-Backbone interact. energy: -2.770 local terms energy: -542.163681 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -166.376 flat angles C4'-P-C4' energy: -142.834 flat angles P-C4'-P energy: -82.476 tors. eta vs tors. theta energy: -22.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -866.338907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.338907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.338907 (E_RNA) where: Base-Base interactions energy: -351.433 where: short stacking energy: -329.090 Base-Backbone interact. energy: -0.800 local terms energy: -514.106119 where: bonds (distance) C4'-P energy: -146.465 bonds (distance) P-C4' energy: -168.083 flat angles C4'-P-C4' energy: -104.057 flat angles P-C4'-P energy: -80.691 tors. eta vs tors. theta energy: -14.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -770.791584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.791584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.791584 (E_RNA) where: Base-Base interactions energy: -308.453 where: short stacking energy: -269.996 Base-Backbone interact. energy: -1.604 local terms energy: -460.734372 where: bonds (distance) C4'-P energy: -136.028 bonds (distance) P-C4' energy: -144.901 flat angles C4'-P-C4' energy: -138.841 flat angles P-C4'-P energy: -75.293 tors. eta vs tors. theta energy: 34.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2569.670627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.670627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.670627 (E_RNA) where: Base-Base interactions energy: -1630.479 where: short stacking energy: -967.471 Base-Backbone interact. energy: -0.362 local terms energy: -938.829782 where: bonds (distance) C4'-P energy: -172.747 bonds (distance) P-C4' energy: -173.979 flat angles C4'-P-C4' energy: -209.492 flat angles P-C4'-P energy: -131.704 tors. eta vs tors. theta energy: -250.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2377.175066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.175066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.175066 (E_RNA) where: Base-Base interactions energy: -1487.893 where: short stacking energy: -899.206 Base-Backbone interact. energy: -1.279 local terms energy: -888.002848 where: bonds (distance) C4'-P energy: -183.191 bonds (distance) P-C4' energy: -174.928 flat angles C4'-P-C4' energy: -197.826 flat angles P-C4'-P energy: -124.448 tors. eta vs tors. theta energy: -207.610 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: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2142.260358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.260358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.260358 (E_RNA) where: Base-Base interactions energy: -1308.711 where: short stacking energy: -839.038 Base-Backbone interact. energy: -2.665 local terms energy: -830.884586 where: bonds (distance) C4'-P energy: -165.854 bonds (distance) P-C4' energy: -162.997 flat angles C4'-P-C4' energy: -194.742 flat angles P-C4'-P energy: -127.933 tors. eta vs tors. theta energy: -179.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1875.449706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.449706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.449706 (E_RNA) where: Base-Base interactions energy: -1125.267 where: short stacking energy: -725.007 Base-Backbone interact. energy: -4.556 local terms energy: -745.626607 where: bonds (distance) C4'-P energy: -146.866 bonds (distance) P-C4' energy: -161.908 flat angles C4'-P-C4' energy: -176.671 flat angles P-C4'-P energy: -107.231 tors. eta vs tors. theta energy: -152.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1641.427182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.427182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.427182 (E_RNA) where: Base-Base interactions energy: -935.558 where: short stacking energy: -652.278 Base-Backbone interact. energy: 3.659 local terms energy: -709.527714 where: bonds (distance) C4'-P energy: -161.723 bonds (distance) P-C4' energy: -154.715 flat angles C4'-P-C4' energy: -164.359 flat angles P-C4'-P energy: -105.814 tors. eta vs tors. theta energy: -122.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1312.207976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.207976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.207976 (E_RNA) where: Base-Base interactions energy: -650.574 where: short stacking energy: -488.223 Base-Backbone interact. energy: -5.500 local terms energy: -656.133918 where: bonds (distance) C4'-P energy: -147.448 bonds (distance) P-C4' energy: -152.051 flat angles C4'-P-C4' energy: -167.143 flat angles P-C4'-P energy: -100.577 tors. eta vs tors. theta energy: -88.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1173.740147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.740147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.740147 (E_RNA) where: Base-Base interactions energy: -587.173 where: short stacking energy: -445.104 Base-Backbone interact. energy: 4.695 local terms energy: -591.262025 where: bonds (distance) C4'-P energy: -149.015 bonds (distance) P-C4' energy: -154.935 flat angles C4'-P-C4' energy: -151.145 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -52.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -895.967364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.967364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.967364 (E_RNA) where: Base-Base interactions energy: -361.330 where: short stacking energy: -317.411 Base-Backbone interact. energy: 1.036 local terms energy: -535.673048 where: bonds (distance) C4'-P energy: -146.346 bonds (distance) P-C4' energy: -176.653 flat angles C4'-P-C4' energy: -118.740 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -861.008483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.008483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.008483 (E_RNA) where: Base-Base interactions energy: -360.924 where: short stacking energy: -311.935 Base-Backbone interact. energy: 3.244 local terms energy: -503.327775 where: bonds (distance) C4'-P energy: -144.079 bonds (distance) P-C4' energy: -164.183 flat angles C4'-P-C4' energy: -130.562 flat angles P-C4'-P energy: -74.159 tors. eta vs tors. theta energy: 9.655 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: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -787.024275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.024275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.024275 (E_RNA) where: Base-Base interactions energy: -322.639 where: short stacking energy: -270.854 Base-Backbone interact. energy: 7.308 local terms energy: -471.693120 where: bonds (distance) C4'-P energy: -133.827 bonds (distance) P-C4' energy: -153.562 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -82.644 tors. eta vs tors. theta energy: 17.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2584.515826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.515826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.515826 (E_RNA) where: Base-Base interactions energy: -1629.514 where: short stacking energy: -969.600 Base-Backbone interact. energy: -6.071 local terms energy: -948.930669 where: bonds (distance) C4'-P energy: -182.046 bonds (distance) P-C4' energy: -174.887 flat angles C4'-P-C4' energy: -208.325 flat angles P-C4'-P energy: -135.614 tors. eta vs tors. theta energy: -248.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2476.458252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.458252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.458252 (E_RNA) where: Base-Base interactions energy: -1542.860 where: short stacking energy: -893.680 Base-Backbone interact. energy: -3.469 local terms energy: -930.129279 where: bonds (distance) C4'-P energy: -172.300 bonds (distance) P-C4' energy: -178.258 flat angles C4'-P-C4' energy: -199.925 flat angles P-C4'-P energy: -143.926 tors. eta vs tors. theta energy: -235.720 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: 3, replica: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2217.832444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.832444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.832444 (E_RNA) where: Base-Base interactions energy: -1340.850 where: short stacking energy: -846.858 Base-Backbone interact. energy: -3.203 local terms energy: -873.779131 where: bonds (distance) C4'-P energy: -177.817 bonds (distance) P-C4' energy: -166.991 flat angles C4'-P-C4' energy: -196.681 flat angles P-C4'-P energy: -123.108 tors. eta vs tors. theta energy: -209.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1891.662490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.662490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.662490 (E_RNA) where: Base-Base interactions energy: -1145.763 where: short stacking energy: -727.287 Base-Backbone interact. energy: -2.166 local terms energy: -743.733862 where: bonds (distance) C4'-P energy: -156.631 bonds (distance) P-C4' energy: -157.852 flat angles C4'-P-C4' energy: -184.785 flat angles P-C4'-P energy: -108.588 tors. eta vs tors. theta energy: -135.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1702.132456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.132456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.132456 (E_RNA) where: Base-Base interactions energy: -999.647 where: short stacking energy: -635.468 Base-Backbone interact. energy: 0.785 local terms energy: -703.271229 where: bonds (distance) C4'-P energy: -156.703 bonds (distance) P-C4' energy: -147.255 flat angles C4'-P-C4' energy: -168.351 flat angles P-C4'-P energy: -112.035 tors. eta vs tors. theta energy: -118.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1262.492440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.492440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.492440 (E_RNA) where: Base-Base interactions energy: -654.260 where: short stacking energy: -480.870 Base-Backbone interact. energy: 0.143 local terms energy: -608.375306 where: bonds (distance) C4'-P energy: -139.122 bonds (distance) P-C4' energy: -155.062 flat angles C4'-P-C4' energy: -155.108 flat angles P-C4'-P energy: -106.011 tors. eta vs tors. theta energy: -53.073 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: 192 Temperature: 1.200000 Total energy: -1164.860125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.860125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.860125 (E_RNA) where: Base-Base interactions energy: -585.802 where: short stacking energy: -452.327 Base-Backbone interact. energy: -3.536 local terms energy: -575.522363 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -150.842 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -99.188 tors. eta vs tors. theta energy: -49.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -875.692144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.692144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.692144 (E_RNA) where: Base-Base interactions energy: -378.428 where: short stacking energy: -329.333 Base-Backbone interact. energy: 8.687 local terms energy: -505.951342 where: bonds (distance) C4'-P energy: -150.958 bonds (distance) P-C4' energy: -160.423 flat angles C4'-P-C4' energy: -127.352 flat angles P-C4'-P energy: -60.668 tors. eta vs tors. theta energy: -6.551 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: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -812.062313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.062313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.062313 (E_RNA) where: Base-Base interactions energy: -288.234 where: short stacking energy: -274.826 Base-Backbone interact. energy: 0.740 local terms energy: -524.567566 where: bonds (distance) C4'-P energy: -143.518 bonds (distance) P-C4' energy: -177.516 flat angles C4'-P-C4' energy: -130.804 flat angles P-C4'-P energy: -74.306 tors. eta vs tors. theta energy: 1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -813.238149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.238149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.238149 (E_RNA) where: Base-Base interactions energy: -335.847 where: short stacking energy: -276.834 Base-Backbone interact. energy: -1.710 local terms energy: -475.681073 where: bonds (distance) C4'-P energy: -158.772 bonds (distance) P-C4' energy: -136.219 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -76.851 tors. eta vs tors. theta energy: 1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2609.202960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.202960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.202960 (E_RNA) where: Base-Base interactions energy: -1682.164 where: short stacking energy: -988.772 Base-Backbone interact. energy: -5.681 local terms energy: -921.357591 where: bonds (distance) C4'-P energy: -162.257 bonds (distance) P-C4' energy: -178.421 flat angles C4'-P-C4' energy: -207.161 flat angles P-C4'-P energy: -127.574 tors. eta vs tors. theta energy: -245.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2478.813709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.813709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.813709 (E_RNA) where: Base-Base interactions energy: -1567.728 where: short stacking energy: -926.506 Base-Backbone interact. energy: -0.433 local terms energy: -910.652377 where: bonds (distance) C4'-P energy: -162.720 bonds (distance) P-C4' energy: -170.343 flat angles C4'-P-C4' energy: -209.160 flat angles P-C4'-P energy: -120.958 tors. eta vs tors. theta energy: -247.472 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: 3, replica: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2177.222735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.222735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.222735 (E_RNA) where: Base-Base interactions energy: -1333.401 where: short stacking energy: -841.704 Base-Backbone interact. energy: -2.017 local terms energy: -841.804788 where: bonds (distance) C4'-P energy: -173.065 bonds (distance) P-C4' energy: -164.520 flat angles C4'-P-C4' energy: -190.224 flat angles P-C4'-P energy: -125.682 tors. eta vs tors. theta energy: -188.315 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: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1909.270881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.270881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.270881 (E_RNA) where: Base-Base interactions energy: -1124.738 where: short stacking energy: -703.041 Base-Backbone interact. energy: -5.676 local terms energy: -778.856308 where: bonds (distance) C4'-P energy: -159.889 bonds (distance) P-C4' energy: -169.727 flat angles C4'-P-C4' energy: -179.838 flat angles P-C4'-P energy: -121.836 tors. eta vs tors. theta energy: -147.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1617.522545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.522545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.522545 (E_RNA) where: Base-Base interactions energy: -936.054 where: short stacking energy: -596.589 Base-Backbone interact. energy: -5.135 local terms energy: -676.333625 where: bonds (distance) C4'-P energy: -148.239 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -156.278 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -109.967 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: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1300.395630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.395630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.395630 (E_RNA) where: Base-Base interactions energy: -667.193 where: short stacking energy: -528.723 Base-Backbone interact. energy: -1.834 local terms energy: -631.368553 where: bonds (distance) C4'-P energy: -135.125 bonds (distance) P-C4' energy: -165.140 flat angles C4'-P-C4' energy: -163.897 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -72.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1227.753949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.753949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.753949 (E_RNA) where: Base-Base interactions energy: -605.426 where: short stacking energy: -462.602 Base-Backbone interact. energy: -0.878 local terms energy: -621.449611 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -159.753 flat angles C4'-P-C4' energy: -153.777 flat angles P-C4'-P energy: -97.765 tors. eta vs tors. theta energy: -62.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -955.059601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.059601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.059601 (E_RNA) where: Base-Base interactions energy: -426.620 where: short stacking energy: -348.283 Base-Backbone interact. energy: 5.423 local terms energy: -533.862998 where: bonds (distance) C4'-P energy: -159.360 bonds (distance) P-C4' energy: -157.432 flat angles C4'-P-C4' energy: -142.871 flat angles P-C4'-P energy: -68.321 tors. eta vs tors. theta energy: -5.879 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: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -812.447204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.447204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.447204 (E_RNA) where: Base-Base interactions energy: -344.843 where: short stacking energy: -294.678 Base-Backbone interact. energy: 8.127 local terms energy: -475.731096 where: bonds (distance) C4'-P energy: -141.617 bonds (distance) P-C4' energy: -159.082 flat angles C4'-P-C4' energy: -131.153 flat angles P-C4'-P energy: -63.460 tors. eta vs tors. theta energy: 19.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -730.224638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.224638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.224638 (E_RNA) where: Base-Base interactions energy: -261.857 where: short stacking energy: -239.639 Base-Backbone interact. energy: 1.498 local terms energy: -469.865878 where: bonds (distance) C4'-P energy: -118.673 bonds (distance) P-C4' energy: -130.115 flat angles C4'-P-C4' energy: -142.980 flat angles P-C4'-P energy: -91.288 tors. eta vs tors. theta energy: 13.191 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: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2595.333040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.333040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.333040 (E_RNA) where: Base-Base interactions energy: -1641.053 where: short stacking energy: -968.503 Base-Backbone interact. energy: -6.819 local terms energy: -947.460842 where: bonds (distance) C4'-P energy: -177.390 bonds (distance) P-C4' energy: -184.512 flat angles C4'-P-C4' energy: -206.748 flat angles P-C4'-P energy: -118.426 tors. eta vs tors. theta energy: -260.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2489.980555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.980555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.980555 (E_RNA) where: Base-Base interactions energy: -1578.010 where: short stacking energy: -930.232 Base-Backbone interact. energy: -1.538 local terms energy: -910.432570 where: bonds (distance) C4'-P energy: -174.132 bonds (distance) P-C4' energy: -167.770 flat angles C4'-P-C4' energy: -193.818 flat angles P-C4'-P energy: -132.761 tors. eta vs tors. theta energy: -241.951 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: 3, replica: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2100.800199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.800199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.800199 (E_RNA) where: Base-Base interactions energy: -1265.027 where: short stacking energy: -797.926 Base-Backbone interact. energy: 1.359 local terms energy: -837.132896 where: bonds (distance) C4'-P energy: -170.308 bonds (distance) P-C4' energy: -186.446 flat angles C4'-P-C4' energy: -191.379 flat angles P-C4'-P energy: -119.229 tors. eta vs tors. theta energy: -169.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1911.986868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.986868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.986868 (E_RNA) where: Base-Base interactions energy: -1131.876 where: short stacking energy: -703.933 Base-Backbone interact. energy: -1.994 local terms energy: -778.117352 where: bonds (distance) C4'-P energy: -154.295 bonds (distance) P-C4' energy: -181.695 flat angles C4'-P-C4' energy: -171.821 flat angles P-C4'-P energy: -121.378 tors. eta vs tors. theta energy: -148.929 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: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1583.093313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.093313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.093313 (E_RNA) where: Base-Base interactions energy: -895.990 where: short stacking energy: -562.036 Base-Backbone interact. energy: -2.434 local terms energy: -684.669790 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -161.178 flat angles C4'-P-C4' energy: -180.455 flat angles P-C4'-P energy: -89.865 tors. eta vs tors. theta energy: -102.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1290.275536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.275536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.275536 (E_RNA) where: Base-Base interactions energy: -686.955 where: short stacking energy: -502.191 Base-Backbone interact. energy: -1.750 local terms energy: -601.570824 where: bonds (distance) C4'-P energy: -128.337 bonds (distance) P-C4' energy: -169.863 flat angles C4'-P-C4' energy: -144.946 flat angles P-C4'-P energy: -88.953 tors. eta vs tors. theta energy: -69.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1089.958958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.958958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.958958 (E_RNA) where: Base-Base interactions energy: -500.068 where: short stacking energy: -407.380 Base-Backbone interact. energy: -1.301 local terms energy: -588.590206 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -149.510 flat angles C4'-P-C4' energy: -158.211 flat angles P-C4'-P energy: -91.939 tors. eta vs tors. theta energy: -28.763 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: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1096.238777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.238777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.238777 (E_RNA) where: Base-Base interactions energy: -558.954 where: short stacking energy: -419.078 Base-Backbone interact. energy: -3.073 local terms energy: -534.212425 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -152.676 flat angles C4'-P-C4' energy: -131.150 flat angles P-C4'-P energy: -84.476 tors. eta vs tors. theta energy: -28.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -844.749452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.749452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.749452 (E_RNA) where: Base-Base interactions energy: -382.509 where: short stacking energy: -326.261 Base-Backbone interact. energy: 5.135 local terms energy: -467.375537 where: bonds (distance) C4'-P energy: -133.983 bonds (distance) P-C4' energy: -164.823 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -50.210 tors. eta vs tors. theta energy: 3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -789.095432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.095432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.095432 (E_RNA) where: Base-Base interactions energy: -349.105 where: short stacking energy: -285.750 Base-Backbone interact. energy: -1.081 local terms energy: -438.909698 where: bonds (distance) C4'-P energy: -111.686 bonds (distance) P-C4' energy: -145.916 flat angles C4'-P-C4' energy: -145.686 flat angles P-C4'-P energy: -59.994 tors. eta vs tors. theta energy: 24.372 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: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2593.931463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.931463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.931463 (E_RNA) where: Base-Base interactions energy: -1630.073 where: short stacking energy: -986.587 Base-Backbone interact. energy: -3.949 local terms energy: -959.908757 where: bonds (distance) C4'-P energy: -172.751 bonds (distance) P-C4' energy: -188.073 flat angles C4'-P-C4' energy: -211.350 flat angles P-C4'-P energy: -144.947 tors. eta vs tors. theta energy: -242.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2412.679322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.679322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.679322 (E_RNA) where: Base-Base interactions energy: -1531.826 where: short stacking energy: -921.638 Base-Backbone interact. energy: -2.691 local terms energy: -878.161912 where: bonds (distance) C4'-P energy: -149.808 bonds (distance) P-C4' energy: -169.466 flat angles C4'-P-C4' energy: -203.591 flat angles P-C4'-P energy: -134.609 tors. eta vs tors. theta energy: -220.688 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: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2150.691590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.691590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.691590 (E_RNA) where: Base-Base interactions energy: -1307.556 where: short stacking energy: -799.697 Base-Backbone interact. energy: -1.930 local terms energy: -841.205719 where: bonds (distance) C4'-P energy: -171.485 bonds (distance) P-C4' energy: -181.695 flat angles C4'-P-C4' energy: -197.354 flat angles P-C4'-P energy: -112.298 tors. eta vs tors. theta energy: -178.375 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: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1816.438615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.438615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.438615 (E_RNA) where: Base-Base interactions energy: -1057.644 where: short stacking energy: -677.359 Base-Backbone interact. energy: -5.064 local terms energy: -753.730863 where: bonds (distance) C4'-P energy: -162.507 bonds (distance) P-C4' energy: -167.760 flat angles C4'-P-C4' energy: -183.292 flat angles P-C4'-P energy: -96.675 tors. eta vs tors. theta energy: -143.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1675.622487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.622487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.622487 (E_RNA) where: Base-Base interactions energy: -970.602 where: short stacking energy: -617.777 Base-Backbone interact. energy: -1.542 local terms energy: -703.478653 where: bonds (distance) C4'-P energy: -139.270 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -176.577 flat angles P-C4'-P energy: -99.100 tors. eta vs tors. theta energy: -131.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1329.026950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.026950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.026950 (E_RNA) where: Base-Base interactions energy: -745.658 where: short stacking energy: -488.076 Base-Backbone interact. energy: -2.405 local terms energy: -580.963653 where: bonds (distance) C4'-P energy: -157.249 bonds (distance) P-C4' energy: -156.582 flat angles C4'-P-C4' energy: -140.319 flat angles P-C4'-P energy: -77.295 tors. eta vs tors. theta energy: -49.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1065.531899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.531899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.531899 (E_RNA) where: Base-Base interactions energy: -470.142 where: short stacking energy: -406.673 Base-Backbone interact. energy: -3.043 local terms energy: -592.346427 where: bonds (distance) C4'-P energy: -158.723 bonds (distance) P-C4' energy: -154.299 flat angles C4'-P-C4' energy: -141.057 flat angles P-C4'-P energy: -94.470 tors. eta vs tors. theta energy: -43.798 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: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1058.195554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.195554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.195554 (E_RNA) where: Base-Base interactions energy: -488.861 where: short stacking energy: -352.791 Base-Backbone interact. energy: -2.244 local terms energy: -567.090282 where: bonds (distance) C4'-P energy: -163.959 bonds (distance) P-C4' energy: -162.531 flat angles C4'-P-C4' energy: -144.503 flat angles P-C4'-P energy: -74.558 tors. eta vs tors. theta energy: -21.539 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: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -915.181861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.181861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.181861 (E_RNA) where: Base-Base interactions energy: -373.039 where: short stacking energy: -321.015 Base-Backbone interact. energy: 0.302 local terms energy: -542.444529 where: bonds (distance) C4'-P energy: -140.949 bonds (distance) P-C4' energy: -156.855 flat angles C4'-P-C4' energy: -135.393 flat angles P-C4'-P energy: -77.550 tors. eta vs tors. theta energy: -31.697 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: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -759.821154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.821154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.821154 (E_RNA) where: Base-Base interactions energy: -327.005 where: short stacking energy: -272.436 Base-Backbone interact. energy: 1.918 local terms energy: -434.734837 where: bonds (distance) C4'-P energy: -148.555 bonds (distance) P-C4' energy: -131.908 flat angles C4'-P-C4' energy: -127.419 flat angles P-C4'-P energy: -58.986 tors. eta vs tors. theta energy: 32.133 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: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2576.712439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.712439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.712439 (E_RNA) where: Base-Base interactions energy: -1595.794 where: short stacking energy: -965.313 Base-Backbone interact. energy: -5.289 local terms energy: -975.629395 where: bonds (distance) C4'-P energy: -179.740 bonds (distance) P-C4' energy: -197.426 flat angles C4'-P-C4' energy: -209.203 flat angles P-C4'-P energy: -136.802 tors. eta vs tors. theta energy: -252.459 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: 196 Temperature: 0.950000 Total energy: -2385.233242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.233242 (E_RNA) where: Base-Base interactions energy: -1498.752 where: short stacking energy: -863.242 Base-Backbone interact. energy: -1.922 local terms energy: -884.559116 where: bonds (distance) C4'-P energy: -176.301 bonds (distance) P-C4' energy: -192.215 flat angles C4'-P-C4' energy: -195.653 flat angles P-C4'-P energy: -117.761 tors. eta vs tors. theta energy: -202.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2137.534338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.534338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.534338 (E_RNA) where: Base-Base interactions energy: -1285.538 where: short stacking energy: -797.138 Base-Backbone interact. energy: -6.467 local terms energy: -845.528816 where: bonds (distance) C4'-P energy: -167.849 bonds (distance) P-C4' energy: -178.703 flat angles C4'-P-C4' energy: -199.707 flat angles P-C4'-P energy: -107.145 tors. eta vs tors. theta energy: -192.124 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: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1831.628659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.628659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.628659 (E_RNA) where: Base-Base interactions energy: -1093.119 where: short stacking energy: -694.200 Base-Backbone interact. energy: 1.205 local terms energy: -739.715303 where: bonds (distance) C4'-P energy: -150.507 bonds (distance) P-C4' energy: -164.980 flat angles C4'-P-C4' energy: -188.128 flat angles P-C4'-P energy: -97.505 tors. eta vs tors. theta energy: -138.596 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: 196 Temperature: 1.100000 Total energy: -1554.022605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.022605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.022605 (E_RNA) where: Base-Base interactions energy: -855.627 where: short stacking energy: -552.634 Base-Backbone interact. energy: -1.338 local terms energy: -697.057847 where: bonds (distance) C4'-P energy: -164.754 bonds (distance) P-C4' energy: -173.586 flat angles C4'-P-C4' energy: -171.500 flat angles P-C4'-P energy: -108.962 tors. eta vs tors. theta energy: -78.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1339.295505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.295505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.295505 (E_RNA) where: Base-Base interactions energy: -709.922 where: short stacking energy: -492.718 Base-Backbone interact. energy: -1.359 local terms energy: -628.014545 where: bonds (distance) C4'-P energy: -173.864 bonds (distance) P-C4' energy: -148.735 flat angles C4'-P-C4' energy: -160.010 flat angles P-C4'-P energy: -94.736 tors. eta vs tors. theta energy: -50.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1099.251952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.251952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.251952 (E_RNA) where: Base-Base interactions energy: -518.308 where: short stacking energy: -430.137 Base-Backbone interact. energy: -1.551 local terms energy: -579.392364 where: bonds (distance) C4'-P energy: -151.138 bonds (distance) P-C4' energy: -145.573 flat angles C4'-P-C4' energy: -136.413 flat angles P-C4'-P energy: -100.648 tors. eta vs tors. theta energy: -45.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1059.764630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.764630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.764630 (E_RNA) where: Base-Base interactions energy: -509.178 where: short stacking energy: -423.819 Base-Backbone interact. energy: 3.688 local terms energy: -554.274614 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -150.525 flat angles C4'-P-C4' energy: -132.024 flat angles P-C4'-P energy: -92.314 tors. eta vs tors. theta energy: -36.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -891.105835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.105835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.105835 (E_RNA) where: Base-Base interactions energy: -362.753 where: short stacking energy: -322.620 Base-Backbone interact. energy: 1.320 local terms energy: -529.672746 where: bonds (distance) C4'-P energy: -142.469 bonds (distance) P-C4' energy: -168.689 flat angles C4'-P-C4' energy: -149.513 flat angles P-C4'-P energy: -66.603 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -736.469365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.469365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.469365 (E_RNA) where: Base-Base interactions energy: -319.779 where: short stacking energy: -293.993 Base-Backbone interact. energy: 11.894 local terms energy: -428.584066 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -162.729 flat angles C4'-P-C4' energy: -121.196 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: 34.408 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2552.761168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.761168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.761168 (E_RNA) where: Base-Base interactions energy: -1595.461 where: short stacking energy: -937.756 Base-Backbone interact. energy: -5.971 local terms energy: -951.328958 where: bonds (distance) C4'-P energy: -167.889 bonds (distance) P-C4' energy: -196.760 flat angles C4'-P-C4' energy: -207.853 flat angles P-C4'-P energy: -143.087 tors. eta vs tors. theta energy: -235.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2461.022198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.022198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.022198 (E_RNA) where: Base-Base interactions energy: -1526.323 where: short stacking energy: -920.398 Base-Backbone interact. energy: -1.958 local terms energy: -932.741545 where: bonds (distance) C4'-P energy: -177.205 bonds (distance) P-C4' energy: -179.719 flat angles C4'-P-C4' energy: -201.202 flat angles P-C4'-P energy: -138.541 tors. eta vs tors. theta energy: -236.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2166.314332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.314332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.314332 (E_RNA) where: Base-Base interactions energy: -1290.052 where: short stacking energy: -813.135 Base-Backbone interact. energy: -5.459 local terms energy: -870.803335 where: bonds (distance) C4'-P energy: -172.918 bonds (distance) P-C4' energy: -187.369 flat angles C4'-P-C4' energy: -186.805 flat angles P-C4'-P energy: -133.278 tors. eta vs tors. theta energy: -190.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1878.007924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.007924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.007924 (E_RNA) where: Base-Base interactions energy: -1128.842 where: short stacking energy: -671.807 Base-Backbone interact. energy: 0.167 local terms energy: -749.333136 where: bonds (distance) C4'-P energy: -167.123 bonds (distance) P-C4' energy: -180.718 flat angles C4'-P-C4' energy: -143.565 flat angles P-C4'-P energy: -107.985 tors. eta vs tors. theta energy: -149.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1636.590645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.590645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.590645 (E_RNA) where: Base-Base interactions energy: -946.913 where: short stacking energy: -623.817 Base-Backbone interact. energy: -0.726 local terms energy: -688.952418 where: bonds (distance) C4'-P energy: -170.256 bonds (distance) P-C4' energy: -153.035 flat angles C4'-P-C4' energy: -162.325 flat angles P-C4'-P energy: -92.116 tors. eta vs tors. theta energy: -111.220 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1437.335932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.335932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.335932 (E_RNA) where: Base-Base interactions energy: -783.311 where: short stacking energy: -576.973 Base-Backbone interact. energy: -2.765 local terms energy: -651.260136 where: bonds (distance) C4'-P energy: -139.834 bonds (distance) P-C4' energy: -164.801 flat angles C4'-P-C4' energy: -143.792 flat angles P-C4'-P energy: -106.400 tors. eta vs tors. theta energy: -96.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1111.411360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.411360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.411360 (E_RNA) where: Base-Base interactions energy: -508.147 where: short stacking energy: -387.575 Base-Backbone interact. energy: 1.455 local terms energy: -604.718845 where: bonds (distance) C4'-P energy: -154.247 bonds (distance) P-C4' energy: -160.544 flat angles C4'-P-C4' energy: -156.768 flat angles P-C4'-P energy: -102.721 tors. eta vs tors. theta energy: -30.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -975.682079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.682079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.682079 (E_RNA) where: Base-Base interactions energy: -430.397 where: short stacking energy: -370.453 Base-Backbone interact. energy: 7.728 local terms energy: -553.013608 where: bonds (distance) C4'-P energy: -146.161 bonds (distance) P-C4' energy: -164.040 flat angles C4'-P-C4' energy: -140.194 flat angles P-C4'-P energy: -69.644 tors. eta vs tors. theta energy: -32.974 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: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -911.966144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.966144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.966144 (E_RNA) where: Base-Base interactions energy: -386.098 where: short stacking energy: -300.246 Base-Backbone interact. energy: -1.419 local terms energy: -524.448573 where: bonds (distance) C4'-P energy: -152.908 bonds (distance) P-C4' energy: -164.303 flat angles C4'-P-C4' energy: -134.108 flat angles P-C4'-P energy: -81.913 tors. eta vs tors. theta energy: 8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -758.356345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.356345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.356345 (E_RNA) where: Base-Base interactions energy: -309.587 where: short stacking energy: -285.818 Base-Backbone interact. energy: 3.034 local terms energy: -451.803133 where: bonds (distance) C4'-P energy: -138.092 bonds (distance) P-C4' energy: -124.176 flat angles C4'-P-C4' energy: -133.048 flat angles P-C4'-P energy: -69.853 tors. eta vs tors. theta energy: 13.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2594.834238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.834238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.834238 (E_RNA) where: Base-Base interactions energy: -1630.071 where: short stacking energy: -984.421 Base-Backbone interact. energy: -1.386 local terms energy: -963.377355 where: bonds (distance) C4'-P energy: -174.910 bonds (distance) P-C4' energy: -178.831 flat angles C4'-P-C4' energy: -220.548 flat angles P-C4'-P energy: -132.011 tors. eta vs tors. theta energy: -257.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2426.403062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.403062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.403062 (E_RNA) where: Base-Base interactions energy: -1509.828 where: short stacking energy: -929.099 Base-Backbone interact. energy: -2.561 local terms energy: -914.014248 where: bonds (distance) C4'-P energy: -175.168 bonds (distance) P-C4' energy: -169.471 flat angles C4'-P-C4' energy: -190.395 flat angles P-C4'-P energy: -134.701 tors. eta vs tors. theta energy: -244.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2133.177569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.177569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.177569 (E_RNA) where: Base-Base interactions energy: -1300.780 where: short stacking energy: -797.667 Base-Backbone interact. energy: -1.173 local terms energy: -831.224999 where: bonds (distance) C4'-P energy: -157.217 bonds (distance) P-C4' energy: -179.230 flat angles C4'-P-C4' energy: -195.275 flat angles P-C4'-P energy: -112.116 tors. eta vs tors. theta energy: -187.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1929.463249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.463249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.463249 (E_RNA) where: Base-Base interactions energy: -1176.348 where: short stacking energy: -723.886 Base-Backbone interact. energy: -0.903 local terms energy: -752.211784 where: bonds (distance) C4'-P energy: -170.115 bonds (distance) P-C4' energy: -188.407 flat angles C4'-P-C4' energy: -161.615 flat angles P-C4'-P energy: -89.878 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: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1592.862313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.862313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.862313 (E_RNA) where: Base-Base interactions energy: -874.044 where: short stacking energy: -584.745 Base-Backbone interact. energy: 0.787 local terms energy: -719.605553 where: bonds (distance) C4'-P energy: -175.124 bonds (distance) P-C4' energy: -168.597 flat angles C4'-P-C4' energy: -164.547 flat angles P-C4'-P energy: -98.172 tors. eta vs tors. theta energy: -113.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1403.525847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.525847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.525847 (E_RNA) where: Base-Base interactions energy: -722.797 where: short stacking energy: -493.627 Base-Backbone interact. energy: -0.364 local terms energy: -680.364875 where: bonds (distance) C4'-P energy: -165.294 bonds (distance) P-C4' energy: -161.884 flat angles C4'-P-C4' energy: -163.875 flat angles P-C4'-P energy: -104.415 tors. eta vs tors. theta energy: -84.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1087.289257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.289257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.289257 (E_RNA) where: Base-Base interactions energy: -479.377 where: short stacking energy: -405.675 Base-Backbone interact. energy: -2.077 local terms energy: -605.835150 where: bonds (distance) C4'-P energy: -154.017 bonds (distance) P-C4' energy: -156.334 flat angles C4'-P-C4' energy: -156.901 flat angles P-C4'-P energy: -86.263 tors. eta vs tors. theta energy: -52.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -914.833338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.833338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.833338 (E_RNA) where: Base-Base interactions energy: -432.394 where: short stacking energy: -360.553 Base-Backbone interact. energy: 3.537 local terms energy: -485.976359 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -166.745 flat angles C4'-P-C4' energy: -115.372 flat angles P-C4'-P energy: -91.074 tors. eta vs tors. theta energy: 15.676 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: 198 Temperature: 1.300000 Total energy: -820.027361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.027361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.027361 (E_RNA) where: Base-Base interactions energy: -313.744 where: short stacking energy: -265.908 Base-Backbone interact. energy: 9.410 local terms energy: -515.693513 where: bonds (distance) C4'-P energy: -166.408 bonds (distance) P-C4' energy: -141.467 flat angles C4'-P-C4' energy: -128.943 flat angles P-C4'-P energy: -85.513 tors. eta vs tors. theta energy: 6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -780.730846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.730846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.730846 (E_RNA) where: Base-Base interactions energy: -341.011 where: short stacking energy: -276.112 Base-Backbone interact. energy: 7.489 local terms energy: -447.209409 where: bonds (distance) C4'-P energy: -123.395 bonds (distance) P-C4' energy: -156.669 flat angles C4'-P-C4' energy: -123.186 flat angles P-C4'-P energy: -67.325 tors. eta vs tors. theta energy: 23.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2577.008614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.008614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.008614 (E_RNA) where: Base-Base interactions energy: -1603.128 where: short stacking energy: -972.867 Base-Backbone interact. energy: -3.896 local terms energy: -969.984560 where: bonds (distance) C4'-P energy: -174.960 bonds (distance) P-C4' energy: -197.989 flat angles C4'-P-C4' energy: -205.914 flat angles P-C4'-P energy: -141.107 tors. eta vs tors. theta energy: -250.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2377.469004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.469004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.469004 (E_RNA) where: Base-Base interactions energy: -1469.373 where: short stacking energy: -889.109 Base-Backbone interact. energy: 1.185 local terms energy: -909.280717 where: bonds (distance) C4'-P energy: -179.922 bonds (distance) P-C4' energy: -180.961 flat angles C4'-P-C4' energy: -202.265 flat angles P-C4'-P energy: -121.410 tors. eta vs tors. theta energy: -224.724 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: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2064.257006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.257006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.257006 (E_RNA) where: Base-Base interactions energy: -1262.206 where: short stacking energy: -764.733 Base-Backbone interact. energy: -2.444 local terms energy: -799.606857 where: bonds (distance) C4'-P energy: -154.523 bonds (distance) P-C4' energy: -177.586 flat angles C4'-P-C4' energy: -175.843 flat angles P-C4'-P energy: -106.289 tors. eta vs tors. theta energy: -185.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1943.185476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.185476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.185476 (E_RNA) where: Base-Base interactions energy: -1176.041 where: short stacking energy: -695.273 Base-Backbone interact. energy: 1.409 local terms energy: -768.553623 where: bonds (distance) C4'-P energy: -164.453 bonds (distance) P-C4' energy: -174.017 flat angles C4'-P-C4' energy: -170.840 flat angles P-C4'-P energy: -111.431 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: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1613.415576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.415576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.415576 (E_RNA) where: Base-Base interactions energy: -882.964 where: short stacking energy: -592.545 Base-Backbone interact. energy: -2.492 local terms energy: -727.959313 where: bonds (distance) C4'-P energy: -162.874 bonds (distance) P-C4' energy: -168.462 flat angles C4'-P-C4' energy: -173.449 flat angles P-C4'-P energy: -118.100 tors. eta vs tors. theta energy: -105.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1376.653659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.653659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.653659 (E_RNA) where: Base-Base interactions energy: -703.587 where: short stacking energy: -491.509 Base-Backbone interact. energy: 0.589 local terms energy: -673.655030 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -174.637 flat angles C4'-P-C4' energy: -177.598 flat angles P-C4'-P energy: -99.085 tors. eta vs tors. theta energy: -79.206 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: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1120.956760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.956760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.956760 (E_RNA) where: Base-Base interactions energy: -527.710 where: short stacking energy: -420.548 Base-Backbone interact. energy: 3.739 local terms energy: -596.985600 where: bonds (distance) C4'-P energy: -145.200 bonds (distance) P-C4' energy: -166.698 flat angles C4'-P-C4' energy: -135.686 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -42.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -960.482742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.482742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.482742 (E_RNA) where: Base-Base interactions energy: -438.448 where: short stacking energy: -383.262 Base-Backbone interact. energy: 6.660 local terms energy: -528.695404 where: bonds (distance) C4'-P energy: -136.697 bonds (distance) P-C4' energy: -161.850 flat angles C4'-P-C4' energy: -133.162 flat angles P-C4'-P energy: -69.908 tors. eta vs tors. theta energy: -27.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -850.291273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.291273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.291273 (E_RNA) where: Base-Base interactions energy: -369.868 where: short stacking energy: -306.306 Base-Backbone interact. energy: -1.434 local terms energy: -478.988510 where: bonds (distance) C4'-P energy: -138.477 bonds (distance) P-C4' energy: -144.286 flat angles C4'-P-C4' energy: -126.968 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: 11.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -744.276618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.276618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.276618 (E_RNA) where: Base-Base interactions energy: -276.697 where: short stacking energy: -238.444 Base-Backbone interact. energy: 3.432 local terms energy: -471.011798 where: bonds (distance) C4'-P energy: -149.686 bonds (distance) P-C4' energy: -170.183 flat angles C4'-P-C4' energy: -126.566 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: 31.764 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: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2617.144590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.144590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.144590 (E_RNA) where: Base-Base interactions energy: -1632.187 where: short stacking energy: -977.040 Base-Backbone interact. energy: -4.100 local terms energy: -980.858135 where: bonds (distance) C4'-P energy: -191.807 bonds (distance) P-C4' energy: -174.141 flat angles C4'-P-C4' energy: -204.228 flat angles P-C4'-P energy: -143.798 tors. eta vs tors. theta energy: -266.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2387.396342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.396342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.396342 (E_RNA) where: Base-Base interactions energy: -1460.093 where: short stacking energy: -881.672 Base-Backbone interact. energy: -4.165 local terms energy: -923.138372 where: bonds (distance) C4'-P energy: -190.644 bonds (distance) P-C4' energy: -174.333 flat angles C4'-P-C4' energy: -205.421 flat angles P-C4'-P energy: -131.378 tors. eta vs tors. theta energy: -221.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2080.021413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.021413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.021413 (E_RNA) where: Base-Base interactions energy: -1227.615 where: short stacking energy: -762.304 Base-Backbone interact. energy: -0.982 local terms energy: -851.423788 where: bonds (distance) C4'-P energy: -176.582 bonds (distance) P-C4' energy: -172.242 flat angles C4'-P-C4' energy: -194.913 flat angles P-C4'-P energy: -133.073 tors. eta vs tors. theta energy: -174.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1901.352186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.352186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.352186 (E_RNA) where: Base-Base interactions energy: -1127.331 where: short stacking energy: -678.127 Base-Backbone interact. energy: -4.413 local terms energy: -769.608394 where: bonds (distance) C4'-P energy: -176.142 bonds (distance) P-C4' energy: -168.395 flat angles C4'-P-C4' energy: -166.544 flat angles P-C4'-P energy: -121.136 tors. eta vs tors. theta energy: -137.392 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: 200 Temperature: 1.100000 Total energy: -1564.460613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.460613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.460613 (E_RNA) where: Base-Base interactions energy: -842.882 where: short stacking energy: -544.239 Base-Backbone interact. energy: -5.289 local terms energy: -716.289050 where: bonds (distance) C4'-P energy: -176.766 bonds (distance) P-C4' energy: -145.194 flat angles C4'-P-C4' energy: -181.099 flat angles P-C4'-P energy: -120.534 tors. eta vs tors. theta energy: -92.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1368.318050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.318050 (E_RNA) where: Base-Base interactions energy: -700.309 where: short stacking energy: -469.952 Base-Backbone interact. energy: -0.960 local terms energy: -667.049184 where: bonds (distance) C4'-P energy: -155.580 bonds (distance) P-C4' energy: -196.838 flat angles C4'-P-C4' energy: -159.589 flat angles P-C4'-P energy: -91.640 tors. eta vs tors. theta energy: -63.402 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: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1157.982883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.982883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.982883 (E_RNA) where: Base-Base interactions energy: -540.519 where: short stacking energy: -433.920 Base-Backbone interact. energy: 1.501 local terms energy: -618.965181 where: bonds (distance) C4'-P energy: -133.703 bonds (distance) P-C4' energy: -177.058 flat angles C4'-P-C4' energy: -159.519 flat angles P-C4'-P energy: -105.535 tors. eta vs tors. theta energy: -43.150 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: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -922.939181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.939181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.939181 (E_RNA) where: Base-Base interactions energy: -396.338 where: short stacking energy: -320.506 Base-Backbone interact. energy: 3.002 local terms energy: -529.603079 where: bonds (distance) C4'-P energy: -160.090 bonds (distance) P-C4' energy: -157.006 flat angles C4'-P-C4' energy: -157.334 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: 7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -805.051429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.051429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.051429 (E_RNA) where: Base-Base interactions energy: -346.669 where: short stacking energy: -314.320 Base-Backbone interact. energy: 1.593 local terms energy: -459.975045 where: bonds (distance) C4'-P energy: -145.211 bonds (distance) P-C4' energy: -133.493 flat angles C4'-P-C4' energy: -108.300 flat angles P-C4'-P energy: -89.238 tors. eta vs tors. theta energy: 16.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -770.587821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.587821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.587821 (E_RNA) where: Base-Base interactions energy: -278.747 where: short stacking energy: -237.488 Base-Backbone interact. energy: 4.820 local terms energy: -496.661486 where: bonds (distance) C4'-P energy: -149.098 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -126.472 flat angles P-C4'-P energy: -79.863 tors. eta vs tors. theta energy: 9.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2570.377032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.377032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.377032 (E_RNA) where: Base-Base interactions energy: -1603.576 where: short stacking energy: -980.606 Base-Backbone interact. energy: -4.993 local terms energy: -961.807708 where: bonds (distance) C4'-P energy: -178.770 bonds (distance) P-C4' energy: -170.047 flat angles C4'-P-C4' energy: -219.163 flat angles P-C4'-P energy: -142.006 tors. eta vs tors. theta energy: -251.821 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: 201 Temperature: 0.950000 Total energy: -2420.283761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.283761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.283761 (E_RNA) where: Base-Base interactions energy: -1472.148 where: short stacking energy: -868.236 Base-Backbone interact. energy: -4.164 local terms energy: -943.971668 where: bonds (distance) C4'-P energy: -180.068 bonds (distance) P-C4' energy: -200.674 flat angles C4'-P-C4' energy: -210.881 flat angles P-C4'-P energy: -129.128 tors. eta vs tors. theta energy: -223.221 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: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2088.282137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.282137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.282137 (E_RNA) where: Base-Base interactions energy: -1287.791 where: short stacking energy: -770.681 Base-Backbone interact. energy: -4.000 local terms energy: -796.491150 where: bonds (distance) C4'-P energy: -171.169 bonds (distance) P-C4' energy: -149.466 flat angles C4'-P-C4' energy: -186.544 flat angles P-C4'-P energy: -103.311 tors. eta vs tors. theta energy: -186.001 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: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1916.322336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.322336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.322336 (E_RNA) where: Base-Base interactions energy: -1158.073 where: short stacking energy: -713.218 Base-Backbone interact. energy: 1.881 local terms energy: -760.130641 where: bonds (distance) C4'-P energy: -146.046 bonds (distance) P-C4' energy: -181.397 flat angles C4'-P-C4' energy: -158.045 flat angles P-C4'-P energy: -129.841 tors. eta vs tors. theta energy: -144.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1557.054443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.054443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.054443 (E_RNA) where: Base-Base interactions energy: -879.965 where: short stacking energy: -571.140 Base-Backbone interact. energy: -3.441 local terms energy: -673.648677 where: bonds (distance) C4'-P energy: -155.112 bonds (distance) P-C4' energy: -172.932 flat angles C4'-P-C4' energy: -153.358 flat angles P-C4'-P energy: -112.497 tors. eta vs tors. theta energy: -79.750 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: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1316.478873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.478873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.478873 (E_RNA) where: Base-Base interactions energy: -671.964 where: short stacking energy: -474.900 Base-Backbone interact. energy: 0.881 local terms energy: -645.395845 where: bonds (distance) C4'-P energy: -150.840 bonds (distance) P-C4' energy: -148.238 flat angles C4'-P-C4' energy: -159.723 flat angles P-C4'-P energy: -105.568 tors. eta vs tors. theta energy: -81.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1133.724286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.724286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.724286 (E_RNA) where: Base-Base interactions energy: -542.991 where: short stacking energy: -397.598 Base-Backbone interact. energy: 0.355 local terms energy: -591.088399 where: bonds (distance) C4'-P energy: -135.334 bonds (distance) P-C4' energy: -174.488 flat angles C4'-P-C4' energy: -158.157 flat angles P-C4'-P energy: -85.822 tors. eta vs tors. theta energy: -37.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -990.703999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.703999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.703999 (E_RNA) where: Base-Base interactions energy: -477.088 where: short stacking energy: -370.809 Base-Backbone interact. energy: -2.771 local terms energy: -510.845199 where: bonds (distance) C4'-P energy: -125.091 bonds (distance) P-C4' energy: -143.623 flat angles C4'-P-C4' energy: -140.479 flat angles P-C4'-P energy: -84.788 tors. eta vs tors. theta energy: -16.865 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: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -826.972349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.972349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.972349 (E_RNA) where: Base-Base interactions energy: -328.911 where: short stacking energy: -301.403 Base-Backbone interact. energy: 6.697 local terms energy: -504.758682 where: bonds (distance) C4'-P energy: -155.590 bonds (distance) P-C4' energy: -145.180 flat angles C4'-P-C4' energy: -126.290 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -828.332884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.332884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.332884 (E_RNA) where: Base-Base interactions energy: -325.732 where: short stacking energy: -293.083 Base-Backbone interact. energy: 4.548 local terms energy: -507.148166 where: bonds (distance) C4'-P energy: -131.940 bonds (distance) P-C4' energy: -159.592 flat angles C4'-P-C4' energy: -136.034 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -4.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2557.875023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.875023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.875023 (E_RNA) where: Base-Base interactions energy: -1594.233 where: short stacking energy: -961.304 Base-Backbone interact. energy: -4.601 local terms energy: -959.041595 where: bonds (distance) C4'-P energy: -178.899 bonds (distance) P-C4' energy: -185.549 flat angles C4'-P-C4' energy: -202.755 flat angles P-C4'-P energy: -148.222 tors. eta vs tors. theta energy: -243.616 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: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2392.021020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.021020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.021020 (E_RNA) where: Base-Base interactions energy: -1454.619 where: short stacking energy: -901.652 Base-Backbone interact. energy: -5.684 local terms energy: -931.717507 where: bonds (distance) C4'-P energy: -177.078 bonds (distance) P-C4' energy: -194.433 flat angles C4'-P-C4' energy: -200.335 flat angles P-C4'-P energy: -132.386 tors. eta vs tors. theta energy: -227.486 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: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2139.953727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.953727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.953727 (E_RNA) where: Base-Base interactions energy: -1267.982 where: short stacking energy: -793.797 Base-Backbone interact. energy: -1.454 local terms energy: -870.517671 where: bonds (distance) C4'-P energy: -168.570 bonds (distance) P-C4' energy: -182.991 flat angles C4'-P-C4' energy: -192.240 flat angles P-C4'-P energy: -142.051 tors. eta vs tors. theta energy: -184.665 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: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1927.100721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.100721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.100721 (E_RNA) where: Base-Base interactions energy: -1185.166 where: short stacking energy: -729.565 Base-Backbone interact. energy: -2.695 local terms energy: -739.240002 where: bonds (distance) C4'-P energy: -153.670 bonds (distance) P-C4' energy: -157.070 flat angles C4'-P-C4' energy: -182.191 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -153.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1611.716236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.716236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.716236 (E_RNA) where: Base-Base interactions energy: -910.624 where: short stacking energy: -599.444 Base-Backbone interact. energy: -2.452 local terms energy: -698.639612 where: bonds (distance) C4'-P energy: -156.962 bonds (distance) P-C4' energy: -167.230 flat angles C4'-P-C4' energy: -177.667 flat angles P-C4'-P energy: -86.107 tors. eta vs tors. theta energy: -110.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1349.985437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.985437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.985437 (E_RNA) where: Base-Base interactions energy: -696.443 where: short stacking energy: -462.005 Base-Backbone interact. energy: -0.111 local terms energy: -653.431183 where: bonds (distance) C4'-P energy: -160.510 bonds (distance) P-C4' energy: -181.611 flat angles C4'-P-C4' energy: -162.292 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -53.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1149.308755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.308755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.308755 (E_RNA) where: Base-Base interactions energy: -564.316 where: short stacking energy: -446.243 Base-Backbone interact. energy: 0.083 local terms energy: -585.075845 where: bonds (distance) C4'-P energy: -148.754 bonds (distance) P-C4' energy: -157.012 flat angles C4'-P-C4' energy: -153.160 flat angles P-C4'-P energy: -83.880 tors. eta vs tors. theta energy: -42.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -976.605373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.605373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.605373 (E_RNA) where: Base-Base interactions energy: -414.475 where: short stacking energy: -387.297 Base-Backbone interact. energy: -1.146 local terms energy: -560.984202 where: bonds (distance) C4'-P energy: -143.704 bonds (distance) P-C4' energy: -139.142 flat angles C4'-P-C4' energy: -140.817 flat angles P-C4'-P energy: -91.573 tors. eta vs tors. theta energy: -45.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -828.734600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.734600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.734600 (E_RNA) where: Base-Base interactions energy: -355.073 where: short stacking energy: -328.832 Base-Backbone interact. energy: 3.943 local terms energy: -477.604861 where: bonds (distance) C4'-P energy: -136.677 bonds (distance) P-C4' energy: -155.646 flat angles C4'-P-C4' energy: -128.891 flat angles P-C4'-P energy: -57.296 tors. eta vs tors. theta energy: 0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -751.484050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.484050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.484050 (E_RNA) where: Base-Base interactions energy: -304.406 where: short stacking energy: -258.553 Base-Backbone interact. energy: 4.394 local terms energy: -451.472497 where: bonds (distance) C4'-P energy: -127.111 bonds (distance) P-C4' energy: -142.605 flat angles C4'-P-C4' energy: -122.211 flat angles P-C4'-P energy: -78.384 tors. eta vs tors. theta energy: 18.839 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: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2588.787449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.787449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.787449 (E_RNA) where: Base-Base interactions energy: -1601.070 where: short stacking energy: -977.431 Base-Backbone interact. energy: -7.040 local terms energy: -980.677880 where: bonds (distance) C4'-P energy: -185.014 bonds (distance) P-C4' energy: -185.290 flat angles C4'-P-C4' energy: -215.375 flat angles P-C4'-P energy: -130.895 tors. eta vs tors. theta energy: -264.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2371.459511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.459511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.459511 (E_RNA) where: Base-Base interactions energy: -1453.185 where: short stacking energy: -919.004 Base-Backbone interact. energy: -0.020 local terms energy: -918.254006 where: bonds (distance) C4'-P energy: -176.848 bonds (distance) P-C4' energy: -176.125 flat angles C4'-P-C4' energy: -201.752 flat angles P-C4'-P energy: -132.457 tors. eta vs tors. theta energy: -231.071 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2067.110579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.110579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.110579 (E_RNA) where: Base-Base interactions energy: -1245.055 where: short stacking energy: -790.324 Base-Backbone interact. energy: -0.339 local terms energy: -821.716505 where: bonds (distance) C4'-P energy: -169.916 bonds (distance) P-C4' energy: -184.388 flat angles C4'-P-C4' energy: -179.883 flat angles P-C4'-P energy: -116.625 tors. eta vs tors. theta energy: -170.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1949.348025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.348025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.348025 (E_RNA) where: Base-Base interactions energy: -1172.568 where: short stacking energy: -691.048 Base-Backbone interact. energy: -4.134 local terms energy: -772.646175 where: bonds (distance) C4'-P energy: -172.407 bonds (distance) P-C4' energy: -175.844 flat angles C4'-P-C4' energy: -183.222 flat angles P-C4'-P energy: -99.144 tors. eta vs tors. theta energy: -142.029 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: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1697.866717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.866717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.866717 (E_RNA) where: Base-Base interactions energy: -964.704 where: short stacking energy: -616.560 Base-Backbone interact. energy: -0.595 local terms energy: -732.567798 where: bonds (distance) C4'-P energy: -171.391 bonds (distance) P-C4' energy: -161.605 flat angles C4'-P-C4' energy: -164.321 flat angles P-C4'-P energy: -122.479 tors. eta vs tors. theta energy: -112.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1377.117512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.117512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.117512 (E_RNA) where: Base-Base interactions energy: -750.562 where: short stacking energy: -500.116 Base-Backbone interact. energy: 5.021 local terms energy: -631.576482 where: bonds (distance) C4'-P energy: -140.485 bonds (distance) P-C4' energy: -162.594 flat angles C4'-P-C4' energy: -168.709 flat angles P-C4'-P energy: -90.793 tors. eta vs tors. theta energy: -68.995 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: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1101.340796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.340796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.340796 (E_RNA) where: Base-Base interactions energy: -536.240 where: short stacking energy: -411.495 Base-Backbone interact. energy: 1.639 local terms energy: -566.739156 where: bonds (distance) C4'-P energy: -153.426 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -79.520 tors. eta vs tors. theta energy: -27.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -950.184357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.184357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.184357 (E_RNA) where: Base-Base interactions energy: -440.924 where: short stacking energy: -320.265 Base-Backbone interact. energy: -1.196 local terms energy: -508.064716 where: bonds (distance) C4'-P energy: -135.983 bonds (distance) P-C4' energy: -143.460 flat angles C4'-P-C4' energy: -119.157 flat angles P-C4'-P energy: -79.745 tors. eta vs tors. theta energy: -29.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -892.028974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.028974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.028974 (E_RNA) where: Base-Base interactions energy: -419.317 where: short stacking energy: -342.066 Base-Backbone interact. energy: 14.141 local terms energy: -486.852966 where: bonds (distance) C4'-P energy: -124.258 bonds (distance) P-C4' energy: -142.364 flat angles C4'-P-C4' energy: -125.026 flat angles P-C4'-P energy: -81.624 tors. eta vs tors. theta energy: -13.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -787.039726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.039726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.039726 (E_RNA) where: Base-Base interactions energy: -338.198 where: short stacking energy: -275.618 Base-Backbone interact. energy: 7.409 local terms energy: -456.250666 where: bonds (distance) C4'-P energy: -131.884 bonds (distance) P-C4' energy: -147.640 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -90.792 tors. eta vs tors. theta energy: 20.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2586.605814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.605814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.605814 (E_RNA) where: Base-Base interactions energy: -1607.839 where: short stacking energy: -944.761 Base-Backbone interact. energy: -4.218 local terms energy: -974.549363 where: bonds (distance) C4'-P energy: -186.397 bonds (distance) P-C4' energy: -168.537 flat angles C4'-P-C4' energy: -224.698 flat angles P-C4'-P energy: -140.973 tors. eta vs tors. theta energy: -253.944 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: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2385.357682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.357682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.357682 (E_RNA) where: Base-Base interactions energy: -1491.896 where: short stacking energy: -910.747 Base-Backbone interact. energy: 0.680 local terms energy: -894.142334 where: bonds (distance) C4'-P energy: -174.482 bonds (distance) P-C4' energy: -196.248 flat angles C4'-P-C4' energy: -188.507 flat angles P-C4'-P energy: -126.457 tors. eta vs tors. theta energy: -208.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2063.845333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.845333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.845333 (E_RNA) where: Base-Base interactions energy: -1255.043 where: short stacking energy: -759.497 Base-Backbone interact. energy: -2.219 local terms energy: -806.583795 where: bonds (distance) C4'-P energy: -169.792 bonds (distance) P-C4' energy: -167.132 flat angles C4'-P-C4' energy: -178.457 flat angles P-C4'-P energy: -109.728 tors. eta vs tors. theta energy: -181.476 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: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1916.520871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.520871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.520871 (E_RNA) where: Base-Base interactions energy: -1156.845 where: short stacking energy: -679.060 Base-Backbone interact. energy: -0.631 local terms energy: -759.044825 where: bonds (distance) C4'-P energy: -164.751 bonds (distance) P-C4' energy: -155.941 flat angles C4'-P-C4' energy: -189.042 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -137.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1634.977915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.977915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.977915 (E_RNA) where: Base-Base interactions energy: -940.231 where: short stacking energy: -606.766 Base-Backbone interact. energy: -0.695 local terms energy: -694.051916 where: bonds (distance) C4'-P energy: -155.799 bonds (distance) P-C4' energy: -147.466 flat angles C4'-P-C4' energy: -181.240 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -102.886 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: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1399.922937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.922937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.922937 (E_RNA) where: Base-Base interactions energy: -742.676 where: short stacking energy: -510.227 Base-Backbone interact. energy: 1.592 local terms energy: -658.838244 where: bonds (distance) C4'-P energy: -161.898 bonds (distance) P-C4' energy: -163.027 flat angles C4'-P-C4' energy: -164.670 flat angles P-C4'-P energy: -99.221 tors. eta vs tors. theta energy: -70.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1149.177291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.177291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.177291 (E_RNA) where: Base-Base interactions energy: -584.044 where: short stacking energy: -444.751 Base-Backbone interact. energy: 2.966 local terms energy: -568.098802 where: bonds (distance) C4'-P energy: -137.375 bonds (distance) P-C4' energy: -159.599 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -87.393 tors. eta vs tors. theta energy: -33.502 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: 204 Temperature: 1.250000 Total energy: -971.302270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.302270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.302270 (E_RNA) where: Base-Base interactions energy: -435.508 where: short stacking energy: -338.643 Base-Backbone interact. energy: 8.436 local terms energy: -544.230922 where: bonds (distance) C4'-P energy: -140.123 bonds (distance) P-C4' energy: -158.480 flat angles C4'-P-C4' energy: -156.788 flat angles P-C4'-P energy: -81.062 tors. eta vs tors. theta energy: -7.778 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: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -848.005605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.005605 (E_RNA) where: Base-Base interactions energy: -368.425 where: short stacking energy: -342.055 Base-Backbone interact. energy: -0.745 local terms energy: -478.835110 where: bonds (distance) C4'-P energy: -125.598 bonds (distance) P-C4' energy: -137.552 flat angles C4'-P-C4' energy: -120.650 flat angles P-C4'-P energy: -79.232 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -774.545768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.545768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.545768 (E_RNA) where: Base-Base interactions energy: -327.608 where: short stacking energy: -276.579 Base-Backbone interact. energy: 7.337 local terms energy: -454.275146 where: bonds (distance) C4'-P energy: -125.682 bonds (distance) P-C4' energy: -142.076 flat angles C4'-P-C4' energy: -127.557 flat angles P-C4'-P energy: -70.937 tors. eta vs tors. theta energy: 11.976 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2556.793891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.793891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.793891 (E_RNA) where: Base-Base interactions energy: -1589.276 where: short stacking energy: -978.014 Base-Backbone interact. energy: -2.723 local terms energy: -964.794715 where: bonds (distance) C4'-P energy: -171.184 bonds (distance) P-C4' energy: -187.998 flat angles C4'-P-C4' energy: -206.313 flat angles P-C4'-P energy: -140.879 tors. eta vs tors. theta energy: -258.421 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: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2357.773455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.773455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.773455 (E_RNA) where: Base-Base interactions energy: -1445.566 where: short stacking energy: -865.528 Base-Backbone interact. energy: -4.163 local terms energy: -908.044727 where: bonds (distance) C4'-P energy: -153.749 bonds (distance) P-C4' energy: -182.818 flat angles C4'-P-C4' energy: -201.910 flat angles P-C4'-P energy: -149.726 tors. eta vs tors. theta energy: -219.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2095.873198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.873198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.873198 (E_RNA) where: Base-Base interactions energy: -1261.485 where: short stacking energy: -805.164 Base-Backbone interact. energy: -0.411 local terms energy: -833.976680 where: bonds (distance) C4'-P energy: -162.804 bonds (distance) P-C4' energy: -183.995 flat angles C4'-P-C4' energy: -180.292 flat angles P-C4'-P energy: -121.588 tors. eta vs tors. theta energy: -185.298 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: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1927.732933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.732933 (E_RNA) where: Base-Base interactions energy: -1173.171 where: short stacking energy: -695.135 Base-Backbone interact. energy: 1.734 local terms energy: -756.296741 where: bonds (distance) C4'-P energy: -156.108 bonds (distance) P-C4' energy: -163.473 flat angles C4'-P-C4' energy: -174.518 flat angles P-C4'-P energy: -117.301 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: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1637.987236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.987236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.987236 (E_RNA) where: Base-Base interactions energy: -945.801 where: short stacking energy: -597.923 Base-Backbone interact. energy: -4.784 local terms energy: -687.402167 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -166.236 flat angles C4'-P-C4' energy: -164.761 flat angles P-C4'-P energy: -97.519 tors. eta vs tors. theta energy: -114.073 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: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1332.512564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.512564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.512564 (E_RNA) where: Base-Base interactions energy: -753.516 where: short stacking energy: -478.838 Base-Backbone interact. energy: -1.640 local terms energy: -577.356619 where: bonds (distance) C4'-P energy: -152.128 bonds (distance) P-C4' energy: -149.887 flat angles C4'-P-C4' energy: -145.430 flat angles P-C4'-P energy: -81.988 tors. eta vs tors. theta energy: -47.924 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: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1102.370010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.370010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.370010 (E_RNA) where: Base-Base interactions energy: -520.012 where: short stacking energy: -404.936 Base-Backbone interact. energy: 1.653 local terms energy: -584.011143 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -158.422 flat angles C4'-P-C4' energy: -144.387 flat angles P-C4'-P energy: -93.843 tors. eta vs tors. theta energy: -44.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -947.139504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.139504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.139504 (E_RNA) where: Base-Base interactions energy: -382.262 where: short stacking energy: -333.079 Base-Backbone interact. energy: -2.651 local terms energy: -562.226045 where: bonds (distance) C4'-P energy: -166.424 bonds (distance) P-C4' energy: -162.329 flat angles C4'-P-C4' energy: -121.291 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -29.770 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: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -803.709319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.709319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.709319 (E_RNA) where: Base-Base interactions energy: -361.473 where: short stacking energy: -297.923 Base-Backbone interact. energy: -1.474 local terms energy: -440.762231 where: bonds (distance) C4'-P energy: -96.748 bonds (distance) P-C4' energy: -140.017 flat angles C4'-P-C4' energy: -134.067 flat angles P-C4'-P energy: -87.507 tors. eta vs tors. theta energy: 17.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -773.755079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.755079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.755079 (E_RNA) where: Base-Base interactions energy: -289.345 where: short stacking energy: -261.154 Base-Backbone interact. energy: 0.702 local terms energy: -485.112085 where: bonds (distance) C4'-P energy: -118.382 bonds (distance) P-C4' energy: -158.350 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -70.716 tors. eta vs tors. theta energy: 1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2535.632847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.632847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.632847 (E_RNA) where: Base-Base interactions energy: -1615.177 where: short stacking energy: -939.268 Base-Backbone interact. energy: -2.474 local terms energy: -917.981441 where: bonds (distance) C4'-P energy: -173.943 bonds (distance) P-C4' energy: -174.814 flat angles C4'-P-C4' energy: -202.828 flat angles P-C4'-P energy: -131.566 tors. eta vs tors. theta energy: -234.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2391.817960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.817960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.817960 (E_RNA) where: Base-Base interactions energy: -1479.950 where: short stacking energy: -896.445 Base-Backbone interact. energy: -4.398 local terms energy: -907.469994 where: bonds (distance) C4'-P energy: -167.383 bonds (distance) P-C4' energy: -171.876 flat angles C4'-P-C4' energy: -203.329 flat angles P-C4'-P energy: -133.809 tors. eta vs tors. theta energy: -231.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2095.931319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.931319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.931319 (E_RNA) where: Base-Base interactions energy: -1277.000 where: short stacking energy: -790.387 Base-Backbone interact. energy: -1.816 local terms energy: -817.115458 where: bonds (distance) C4'-P energy: -176.521 bonds (distance) P-C4' energy: -177.757 flat angles C4'-P-C4' energy: -177.535 flat angles P-C4'-P energy: -109.629 tors. eta vs tors. theta energy: -175.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1969.183101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.183101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.183101 (E_RNA) where: Base-Base interactions energy: -1192.881 where: short stacking energy: -757.907 Base-Backbone interact. energy: -1.439 local terms energy: -774.862927 where: bonds (distance) C4'-P energy: -157.317 bonds (distance) P-C4' energy: -176.847 flat angles C4'-P-C4' energy: -172.929 flat angles P-C4'-P energy: -100.338 tors. eta vs tors. theta energy: -167.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1641.517356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.517356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.517356 (E_RNA) where: Base-Base interactions energy: -919.269 where: short stacking energy: -606.646 Base-Backbone interact. energy: -3.146 local terms energy: -719.103345 where: bonds (distance) C4'-P energy: -162.587 bonds (distance) P-C4' energy: -174.703 flat angles C4'-P-C4' energy: -182.873 flat angles P-C4'-P energy: -102.437 tors. eta vs tors. theta energy: -96.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1353.579122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.579122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.579122 (E_RNA) where: Base-Base interactions energy: -724.260 where: short stacking energy: -548.561 Base-Backbone interact. energy: 0.079 local terms energy: -629.398820 where: bonds (distance) C4'-P energy: -154.467 bonds (distance) P-C4' energy: -150.449 flat angles C4'-P-C4' energy: -171.166 flat angles P-C4'-P energy: -83.594 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: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1062.216871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.216871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.216871 (E_RNA) where: Base-Base interactions energy: -473.476 where: short stacking energy: -409.133 Base-Backbone interact. energy: 2.544 local terms energy: -591.285211 where: bonds (distance) C4'-P energy: -146.407 bonds (distance) P-C4' energy: -171.311 flat angles C4'-P-C4' energy: -130.895 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -43.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -942.260553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.260553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.260553 (E_RNA) where: Base-Base interactions energy: -412.885 where: short stacking energy: -370.603 Base-Backbone interact. energy: -0.065 local terms energy: -529.310850 where: bonds (distance) C4'-P energy: -146.375 bonds (distance) P-C4' energy: -161.304 flat angles C4'-P-C4' energy: -125.432 flat angles P-C4'-P energy: -99.668 tors. eta vs tors. theta energy: 3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -811.595329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.595329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.595329 (E_RNA) where: Base-Base interactions energy: -320.336 where: short stacking energy: -269.710 Base-Backbone interact. energy: 0.469 local terms energy: -491.728672 where: bonds (distance) C4'-P energy: -153.722 bonds (distance) P-C4' energy: -155.733 flat angles C4'-P-C4' energy: -127.899 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: 8.014 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: 206 Temperature: 1.350000 Total energy: -794.805471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.805471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.805471 (E_RNA) where: Base-Base interactions energy: -324.618 where: short stacking energy: -257.310 Base-Backbone interact. energy: 6.558 local terms energy: -476.746083 where: bonds (distance) C4'-P energy: -144.775 bonds (distance) P-C4' energy: -158.689 flat angles C4'-P-C4' energy: -139.458 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: 37.475 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: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2566.428539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.428539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.428539 (E_RNA) where: Base-Base interactions energy: -1622.275 where: short stacking energy: -950.245 Base-Backbone interact. energy: 0.288 local terms energy: -944.441367 where: bonds (distance) C4'-P energy: -175.857 bonds (distance) P-C4' energy: -191.259 flat angles C4'-P-C4' energy: -207.232 flat angles P-C4'-P energy: -132.609 tors. eta vs tors. theta energy: -237.484 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: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2410.977865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.977865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.977865 (E_RNA) where: Base-Base interactions energy: -1502.712 where: short stacking energy: -894.955 Base-Backbone interact. energy: -2.760 local terms energy: -905.505514 where: bonds (distance) C4'-P energy: -171.800 bonds (distance) P-C4' energy: -188.426 flat angles C4'-P-C4' energy: -193.580 flat angles P-C4'-P energy: -122.319 tors. eta vs tors. theta energy: -229.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2046.538872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.538872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.538872 (E_RNA) where: Base-Base interactions energy: -1232.473 where: short stacking energy: -757.218 Base-Backbone interact. energy: -0.393 local terms energy: -813.673754 where: bonds (distance) C4'-P energy: -182.719 bonds (distance) P-C4' energy: -173.321 flat angles C4'-P-C4' energy: -181.605 flat angles P-C4'-P energy: -106.260 tors. eta vs tors. theta energy: -169.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1901.609849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.609849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.609849 (E_RNA) where: Base-Base interactions energy: -1179.933 where: short stacking energy: -710.977 Base-Backbone interact. energy: -0.501 local terms energy: -721.176614 where: bonds (distance) C4'-P energy: -145.329 bonds (distance) P-C4' energy: -167.428 flat angles C4'-P-C4' energy: -168.786 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -131.785 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: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1645.358748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.358748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.358748 (E_RNA) where: Base-Base interactions energy: -916.712 where: short stacking energy: -559.618 Base-Backbone interact. energy: -3.010 local terms energy: -725.636917 where: bonds (distance) C4'-P energy: -172.041 bonds (distance) P-C4' energy: -166.720 flat angles C4'-P-C4' energy: -172.502 flat angles P-C4'-P energy: -109.779 tors. eta vs tors. theta energy: -104.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1340.983323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.983323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.983323 (E_RNA) where: Base-Base interactions energy: -717.733 where: short stacking energy: -510.560 Base-Backbone interact. energy: -1.808 local terms energy: -621.442306 where: bonds (distance) C4'-P energy: -130.849 bonds (distance) P-C4' energy: -168.007 flat angles C4'-P-C4' energy: -142.507 flat angles P-C4'-P energy: -106.072 tors. eta vs tors. theta energy: -74.007 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: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1017.769805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.769805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.769805 (E_RNA) where: Base-Base interactions energy: -445.176 where: short stacking energy: -388.225 Base-Backbone interact. energy: -3.192 local terms energy: -569.401289 where: bonds (distance) C4'-P energy: -136.225 bonds (distance) P-C4' energy: -179.596 flat angles C4'-P-C4' energy: -141.819 flat angles P-C4'-P energy: -89.236 tors. eta vs tors. theta energy: -22.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -935.229313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.229313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.229313 (E_RNA) where: Base-Base interactions energy: -414.112 where: short stacking energy: -351.885 Base-Backbone interact. energy: 3.757 local terms energy: -524.873853 where: bonds (distance) C4'-P energy: -143.885 bonds (distance) P-C4' energy: -167.871 flat angles C4'-P-C4' energy: -124.644 flat angles P-C4'-P energy: -76.974 tors. eta vs tors. theta energy: -11.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -884.036840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.036840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.036840 (E_RNA) where: Base-Base interactions energy: -389.393 where: short stacking energy: -305.712 Base-Backbone interact. energy: 2.948 local terms energy: -497.591547 where: bonds (distance) C4'-P energy: -132.807 bonds (distance) P-C4' energy: -165.492 flat angles C4'-P-C4' energy: -134.011 flat angles P-C4'-P energy: -80.009 tors. eta vs tors. theta energy: 14.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -804.969435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.969435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.969435 (E_RNA) where: Base-Base interactions energy: -354.918 where: short stacking energy: -298.916 Base-Backbone interact. energy: -2.815 local terms energy: -447.236984 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -148.053 flat angles C4'-P-C4' energy: -108.683 flat angles P-C4'-P energy: -65.442 tors. eta vs tors. theta energy: 17.158 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: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2609.676068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.676068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.676068 (E_RNA) where: Base-Base interactions energy: -1676.453 where: short stacking energy: -942.771 Base-Backbone interact. energy: -6.939 local terms energy: -926.284444 where: bonds (distance) C4'-P energy: -170.267 bonds (distance) P-C4' energy: -189.141 flat angles C4'-P-C4' energy: -201.250 flat angles P-C4'-P energy: -128.993 tors. eta vs tors. theta energy: -236.634 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: 208 Temperature: 0.950000 Total energy: -2363.567305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.567305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.567305 (E_RNA) where: Base-Base interactions energy: -1477.630 where: short stacking energy: -875.941 Base-Backbone interact. energy: -1.585 local terms energy: -884.351457 where: bonds (distance) C4'-P energy: -171.945 bonds (distance) P-C4' energy: -159.720 flat angles C4'-P-C4' energy: -195.363 flat angles P-C4'-P energy: -138.045 tors. eta vs tors. theta energy: -219.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2070.527850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.527850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.527850 (E_RNA) where: Base-Base interactions energy: -1283.642 where: short stacking energy: -805.452 Base-Backbone interact. energy: 1.304 local terms energy: -788.189325 where: bonds (distance) C4'-P energy: -156.915 bonds (distance) P-C4' energy: -156.575 flat angles C4'-P-C4' energy: -186.794 flat angles P-C4'-P energy: -104.128 tors. eta vs tors. theta energy: -183.778 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: 208 Temperature: 1.050000 Total energy: -1920.552685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.552685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.552685 (E_RNA) where: Base-Base interactions energy: -1144.996 where: short stacking energy: -724.111 Base-Backbone interact. energy: 1.552 local terms energy: -777.109141 where: bonds (distance) C4'-P energy: -164.074 bonds (distance) P-C4' energy: -164.564 flat angles C4'-P-C4' energy: -196.198 flat angles P-C4'-P energy: -100.133 tors. eta vs tors. theta energy: -152.140 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: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1681.837106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.837106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.837106 (E_RNA) where: Base-Base interactions energy: -994.157 where: short stacking energy: -652.351 Base-Backbone interact. energy: -3.895 local terms energy: -683.785438 where: bonds (distance) C4'-P energy: -140.804 bonds (distance) P-C4' energy: -171.379 flat angles C4'-P-C4' energy: -166.165 flat angles P-C4'-P energy: -80.067 tors. eta vs tors. theta energy: -125.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1352.136379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.136379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.136379 (E_RNA) where: Base-Base interactions energy: -716.014 where: short stacking energy: -528.157 Base-Backbone interact. energy: -0.908 local terms energy: -635.214613 where: bonds (distance) C4'-P energy: -139.245 bonds (distance) P-C4' energy: -163.056 flat angles C4'-P-C4' energy: -147.929 flat angles P-C4'-P energy: -105.449 tors. eta vs tors. theta energy: -79.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1005.866535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.866535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.866535 (E_RNA) where: Base-Base interactions energy: -439.605 where: short stacking energy: -372.255 Base-Backbone interact. energy: -0.837 local terms energy: -565.424229 where: bonds (distance) C4'-P energy: -160.313 bonds (distance) P-C4' energy: -149.009 flat angles C4'-P-C4' energy: -141.175 flat angles P-C4'-P energy: -100.392 tors. eta vs tors. theta energy: -14.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -960.383475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.383475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.383475 (E_RNA) where: Base-Base interactions energy: -425.906 where: short stacking energy: -345.423 Base-Backbone interact. energy: -1.872 local terms energy: -532.605621 where: bonds (distance) C4'-P energy: -150.915 bonds (distance) P-C4' energy: -169.558 flat angles C4'-P-C4' energy: -109.825 flat angles P-C4'-P energy: -89.348 tors. eta vs tors. theta energy: -12.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -859.680916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.680916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.680916 (E_RNA) where: Base-Base interactions energy: -372.612 where: short stacking energy: -324.306 Base-Backbone interact. energy: 1.547 local terms energy: -488.615986 where: bonds (distance) C4'-P energy: -156.440 bonds (distance) P-C4' energy: -128.915 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -73.464 tors. eta vs tors. theta energy: 0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -789.485217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.485217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.485217 (E_RNA) where: Base-Base interactions energy: -302.892 where: short stacking energy: -262.925 Base-Backbone interact. energy: -2.253 local terms energy: -484.340115 where: bonds (distance) C4'-P energy: -141.822 bonds (distance) P-C4' energy: -159.377 flat angles C4'-P-C4' energy: -123.076 flat angles P-C4'-P energy: -79.065 tors. eta vs tors. theta energy: 18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2629.186678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.186678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.186678 (E_RNA) where: Base-Base interactions energy: -1684.762 where: short stacking energy: -965.540 Base-Backbone interact. energy: -2.418 local terms energy: -942.006590 where: bonds (distance) C4'-P energy: -179.340 bonds (distance) P-C4' energy: -188.226 flat angles C4'-P-C4' energy: -203.317 flat angles P-C4'-P energy: -134.075 tors. eta vs tors. theta energy: -237.048 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: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2335.896332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.896332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.896332 (E_RNA) where: Base-Base interactions energy: -1432.364 where: short stacking energy: -857.509 Base-Backbone interact. energy: 4.479 local terms energy: -908.011449 where: bonds (distance) C4'-P energy: -176.804 bonds (distance) P-C4' energy: -190.082 flat angles C4'-P-C4' energy: -187.323 flat angles P-C4'-P energy: -139.543 tors. eta vs tors. theta energy: -214.259 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: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2070.521479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.521479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.521479 (E_RNA) where: Base-Base interactions energy: -1257.944 where: short stacking energy: -785.521 Base-Backbone interact. energy: 1.913 local terms energy: -814.489721 where: bonds (distance) C4'-P energy: -171.424 bonds (distance) P-C4' energy: -176.045 flat angles C4'-P-C4' energy: -177.345 flat angles P-C4'-P energy: -119.935 tors. eta vs tors. theta energy: -169.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1910.413121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.413121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.413121 (E_RNA) where: Base-Base interactions energy: -1133.054 where: short stacking energy: -707.036 Base-Backbone interact. energy: -2.854 local terms energy: -774.505640 where: bonds (distance) C4'-P energy: -165.900 bonds (distance) P-C4' energy: -183.891 flat angles C4'-P-C4' energy: -175.246 flat angles P-C4'-P energy: -96.838 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: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1682.322283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.322283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.322283 (E_RNA) where: Base-Base interactions energy: -970.533 where: short stacking energy: -643.681 Base-Backbone interact. energy: -2.411 local terms energy: -709.378600 where: bonds (distance) C4'-P energy: -156.233 bonds (distance) P-C4' energy: -149.044 flat angles C4'-P-C4' energy: -174.756 flat angles P-C4'-P energy: -112.552 tors. eta vs tors. theta energy: -116.793 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: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1359.615505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.615505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.615505 (E_RNA) where: Base-Base interactions energy: -715.547 where: short stacking energy: -506.651 Base-Backbone interact. energy: 1.027 local terms energy: -645.095089 where: bonds (distance) C4'-P energy: -155.170 bonds (distance) P-C4' energy: -172.231 flat angles C4'-P-C4' energy: -156.040 flat angles P-C4'-P energy: -90.967 tors. eta vs tors. theta energy: -70.688 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: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1116.105161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.105161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.105161 (E_RNA) where: Base-Base interactions energy: -484.964 where: short stacking energy: -445.851 Base-Backbone interact. energy: -0.132 local terms energy: -631.008769 where: bonds (distance) C4'-P energy: -162.592 bonds (distance) P-C4' energy: -169.338 flat angles C4'-P-C4' energy: -151.698 flat angles P-C4'-P energy: -86.916 tors. eta vs tors. theta energy: -60.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1033.982300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.982300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.982300 (E_RNA) where: Base-Base interactions energy: -486.864 where: short stacking energy: -377.108 Base-Backbone interact. energy: -2.840 local terms energy: -544.278976 where: bonds (distance) C4'-P energy: -147.757 bonds (distance) P-C4' energy: -145.741 flat angles C4'-P-C4' energy: -133.231 flat angles P-C4'-P energy: -94.780 tors. eta vs tors. theta energy: -22.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -835.491749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.491749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.491749 (E_RNA) where: Base-Base interactions energy: -341.599 where: short stacking energy: -330.618 Base-Backbone interact. energy: 7.184 local terms energy: -501.076746 where: bonds (distance) C4'-P energy: -155.356 bonds (distance) P-C4' energy: -147.057 flat angles C4'-P-C4' energy: -118.805 flat angles P-C4'-P energy: -63.437 tors. eta vs tors. theta energy: -16.421 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: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -794.453425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.453425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.453425 (E_RNA) where: Base-Base interactions energy: -312.135 where: short stacking energy: -275.037 Base-Backbone interact. energy: 2.393 local terms energy: -484.711844 where: bonds (distance) C4'-P energy: -159.542 bonds (distance) P-C4' energy: -152.421 flat angles C4'-P-C4' energy: -133.947 flat angles P-C4'-P energy: -69.703 tors. eta vs tors. theta energy: 30.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2563.441780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.441780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.441780 (E_RNA) where: Base-Base interactions energy: -1616.726 where: short stacking energy: -941.880 Base-Backbone interact. energy: -6.466 local terms energy: -940.250513 where: bonds (distance) C4'-P energy: -180.241 bonds (distance) P-C4' energy: -191.478 flat angles C4'-P-C4' energy: -210.380 flat angles P-C4'-P energy: -119.829 tors. eta vs tors. theta energy: -238.322 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: 210 Temperature: 0.950000 Total energy: -2332.497683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.497683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.497683 (E_RNA) where: Base-Base interactions energy: -1439.842 where: short stacking energy: -903.312 Base-Backbone interact. energy: -3.420 local terms energy: -889.234831 where: bonds (distance) C4'-P energy: -169.884 bonds (distance) P-C4' energy: -179.774 flat angles C4'-P-C4' energy: -200.273 flat angles P-C4'-P energy: -123.885 tors. eta vs tors. theta energy: -215.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2078.901644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.901644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.901644 (E_RNA) where: Base-Base interactions energy: -1232.446 where: short stacking energy: -774.689 Base-Backbone interact. energy: -0.816 local terms energy: -845.639162 where: bonds (distance) C4'-P energy: -170.188 bonds (distance) P-C4' energy: -170.237 flat angles C4'-P-C4' energy: -191.421 flat angles P-C4'-P energy: -119.615 tors. eta vs tors. theta energy: -194.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1910.508068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.508068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.508068 (E_RNA) where: Base-Base interactions energy: -1176.829 where: short stacking energy: -729.484 Base-Backbone interact. energy: -5.329 local terms energy: -728.350172 where: bonds (distance) C4'-P energy: -164.121 bonds (distance) P-C4' energy: -175.031 flat angles C4'-P-C4' energy: -155.538 flat angles P-C4'-P energy: -90.021 tors. eta vs tors. theta energy: -143.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1643.787412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.787412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.787412 (E_RNA) where: Base-Base interactions energy: -941.290 where: short stacking energy: -630.962 Base-Backbone interact. energy: 0.584 local terms energy: -703.081689 where: bonds (distance) C4'-P energy: -166.187 bonds (distance) P-C4' energy: -159.701 flat angles C4'-P-C4' energy: -159.743 flat angles P-C4'-P energy: -91.298 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: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1360.180945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.180945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.180945 (E_RNA) where: Base-Base interactions energy: -709.054 where: short stacking energy: -472.712 Base-Backbone interact. energy: -1.826 local terms energy: -649.300761 where: bonds (distance) C4'-P energy: -165.668 bonds (distance) P-C4' energy: -167.785 flat angles C4'-P-C4' energy: -156.312 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -75.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1060.965780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.965780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.965780 (E_RNA) where: Base-Base interactions energy: -502.076 where: short stacking energy: -423.225 Base-Backbone interact. energy: 1.443 local terms energy: -560.332557 where: bonds (distance) C4'-P energy: -129.995 bonds (distance) P-C4' energy: -170.970 flat angles C4'-P-C4' energy: -139.109 flat angles P-C4'-P energy: -65.968 tors. eta vs tors. theta energy: -54.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -999.879112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.879112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.879112 (E_RNA) where: Base-Base interactions energy: -477.224 where: short stacking energy: -385.765 Base-Backbone interact. energy: 2.521 local terms energy: -525.176506 where: bonds (distance) C4'-P energy: -138.706 bonds (distance) P-C4' energy: -147.299 flat angles C4'-P-C4' energy: -147.359 flat angles P-C4'-P energy: -68.218 tors. eta vs tors. theta energy: -23.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -890.973690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.973690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.973690 (E_RNA) where: Base-Base interactions energy: -365.105 where: short stacking energy: -304.493 Base-Backbone interact. energy: 1.455 local terms energy: -527.323333 where: bonds (distance) C4'-P energy: -146.372 bonds (distance) P-C4' energy: -149.175 flat angles C4'-P-C4' energy: -124.972 flat angles P-C4'-P energy: -95.122 tors. eta vs tors. theta energy: -11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -778.320172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.320172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.320172 (E_RNA) where: Base-Base interactions energy: -285.344 where: short stacking energy: -267.083 Base-Backbone interact. energy: 3.139 local terms energy: -496.115236 where: bonds (distance) C4'-P energy: -141.724 bonds (distance) P-C4' energy: -164.947 flat angles C4'-P-C4' energy: -141.436 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: 9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2580.404848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.404848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.404848 (E_RNA) where: Base-Base interactions energy: -1625.567 where: short stacking energy: -960.704 Base-Backbone interact. energy: -4.553 local terms energy: -950.285314 where: bonds (distance) C4'-P energy: -180.420 bonds (distance) P-C4' energy: -184.346 flat angles C4'-P-C4' energy: -200.379 flat angles P-C4'-P energy: -132.775 tors. eta vs tors. theta energy: -252.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2358.500295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.500295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.500295 (E_RNA) where: Base-Base interactions energy: -1456.954 where: short stacking energy: -868.159 Base-Backbone interact. energy: -3.092 local terms energy: -898.454556 where: bonds (distance) C4'-P energy: -178.342 bonds (distance) P-C4' energy: -171.023 flat angles C4'-P-C4' energy: -201.191 flat angles P-C4'-P energy: -136.867 tors. eta vs tors. theta energy: -211.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2107.115676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.115676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.115676 (E_RNA) where: Base-Base interactions energy: -1262.069 where: short stacking energy: -793.974 Base-Backbone interact. energy: 1.627 local terms energy: -846.672985 where: bonds (distance) C4'-P energy: -164.515 bonds (distance) P-C4' energy: -179.982 flat angles C4'-P-C4' energy: -194.752 flat angles P-C4'-P energy: -123.258 tors. eta vs tors. theta energy: -184.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1903.375138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.375138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.375138 (E_RNA) where: Base-Base interactions energy: -1171.153 where: short stacking energy: -701.241 Base-Backbone interact. energy: -4.263 local terms energy: -727.958854 where: bonds (distance) C4'-P energy: -153.105 bonds (distance) P-C4' energy: -171.042 flat angles C4'-P-C4' energy: -162.168 flat angles P-C4'-P energy: -101.259 tors. eta vs tors. theta energy: -140.384 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: 211 Temperature: 1.100000 Total energy: -1713.703526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.703526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.703526 (E_RNA) where: Base-Base interactions energy: -991.852 where: short stacking energy: -618.676 Base-Backbone interact. energy: -2.844 local terms energy: -719.008098 where: bonds (distance) C4'-P energy: -173.109 bonds (distance) P-C4' energy: -165.661 flat angles C4'-P-C4' energy: -153.699 flat angles P-C4'-P energy: -109.223 tors. eta vs tors. theta energy: -117.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1329.389279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.389279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.389279 (E_RNA) where: Base-Base interactions energy: -708.087 where: short stacking energy: -492.508 Base-Backbone interact. energy: -3.183 local terms energy: -618.119311 where: bonds (distance) C4'-P energy: -155.342 bonds (distance) P-C4' energy: -155.624 flat angles C4'-P-C4' energy: -141.349 flat angles P-C4'-P energy: -100.673 tors. eta vs tors. theta energy: -65.132 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: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1062.148539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.148539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.148539 (E_RNA) where: Base-Base interactions energy: -480.658 where: short stacking energy: -430.066 Base-Backbone interact. energy: -2.267 local terms energy: -579.224341 where: bonds (distance) C4'-P energy: -155.180 bonds (distance) P-C4' energy: -165.326 flat angles C4'-P-C4' energy: -158.378 flat angles P-C4'-P energy: -69.094 tors. eta vs tors. theta energy: -31.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -933.173773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.173773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.173773 (E_RNA) where: Base-Base interactions energy: -398.166 where: short stacking energy: -309.626 Base-Backbone interact. energy: 2.404 local terms energy: -537.411840 where: bonds (distance) C4'-P energy: -158.759 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -137.408 flat angles P-C4'-P energy: -101.109 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -925.462197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.462197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.462197 (E_RNA) where: Base-Base interactions energy: -410.106 where: short stacking energy: -338.484 Base-Backbone interact. energy: -1.282 local terms energy: -514.074252 where: bonds (distance) C4'-P energy: -152.997 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -144.548 flat angles P-C4'-P energy: -73.386 tors. eta vs tors. theta energy: -6.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -764.984933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.984933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.984933 (E_RNA) where: Base-Base interactions energy: -301.284 where: short stacking energy: -231.308 Base-Backbone interact. energy: 4.814 local terms energy: -468.514920 where: bonds (distance) C4'-P energy: -131.227 bonds (distance) P-C4' energy: -160.646 flat angles C4'-P-C4' energy: -119.838 flat angles P-C4'-P energy: -86.822 tors. eta vs tors. theta energy: 30.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2580.372131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.372131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.372131 (E_RNA) where: Base-Base interactions energy: -1660.468 where: short stacking energy: -997.029 Base-Backbone interact. energy: -6.071 local terms energy: -913.833638 where: bonds (distance) C4'-P energy: -154.960 bonds (distance) P-C4' energy: -169.923 flat angles C4'-P-C4' energy: -201.224 flat angles P-C4'-P energy: -131.614 tors. eta vs tors. theta energy: -256.114 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: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2322.452023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.452023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.452023 (E_RNA) where: Base-Base interactions energy: -1443.244 where: short stacking energy: -849.368 Base-Backbone interact. energy: -3.231 local terms energy: -875.976478 where: bonds (distance) C4'-P energy: -178.643 bonds (distance) P-C4' energy: -167.751 flat angles C4'-P-C4' energy: -203.857 flat angles P-C4'-P energy: -125.355 tors. eta vs tors. theta energy: -200.371 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: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2110.169673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.169673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.169673 (E_RNA) where: Base-Base interactions energy: -1263.341 where: short stacking energy: -812.642 Base-Backbone interact. energy: 0.618 local terms energy: -847.447259 where: bonds (distance) C4'-P energy: -169.710 bonds (distance) P-C4' energy: -164.587 flat angles C4'-P-C4' energy: -193.494 flat angles P-C4'-P energy: -134.665 tors. eta vs tors. theta energy: -184.991 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: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1895.046022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.046022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.046022 (E_RNA) where: Base-Base interactions energy: -1152.889 where: short stacking energy: -708.614 Base-Backbone interact. energy: -3.327 local terms energy: -738.830364 where: bonds (distance) C4'-P energy: -151.455 bonds (distance) P-C4' energy: -164.396 flat angles C4'-P-C4' energy: -175.385 flat angles P-C4'-P energy: -102.568 tors. eta vs tors. theta energy: -145.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1718.344853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.344853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.344853 (E_RNA) where: Base-Base interactions energy: -1006.947 where: short stacking energy: -636.774 Base-Backbone interact. energy: -2.253 local terms energy: -709.144956 where: bonds (distance) C4'-P energy: -145.434 bonds (distance) P-C4' energy: -171.736 flat angles C4'-P-C4' energy: -161.447 flat angles P-C4'-P energy: -108.082 tors. eta vs tors. theta energy: -122.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1322.292121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.292121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.292121 (E_RNA) where: Base-Base interactions energy: -694.136 where: short stacking energy: -469.260 Base-Backbone interact. energy: -0.687 local terms energy: -627.468336 where: bonds (distance) C4'-P energy: -151.491 bonds (distance) P-C4' energy: -159.979 flat angles C4'-P-C4' energy: -154.591 flat angles P-C4'-P energy: -115.020 tors. eta vs tors. theta energy: -46.387 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: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1061.807383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.807383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.807383 (E_RNA) where: Base-Base interactions energy: -456.759 where: short stacking energy: -374.955 Base-Backbone interact. energy: -0.928 local terms energy: -604.120916 where: bonds (distance) C4'-P energy: -157.322 bonds (distance) P-C4' energy: -180.444 flat angles C4'-P-C4' energy: -145.498 flat angles P-C4'-P energy: -103.405 tors. eta vs tors. theta energy: -17.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -939.827430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.827430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.827430 (E_RNA) where: Base-Base interactions energy: -468.284 where: short stacking energy: -379.300 Base-Backbone interact. energy: 0.935 local terms energy: -472.478027 where: bonds (distance) C4'-P energy: -127.485 bonds (distance) P-C4' energy: -154.588 flat angles C4'-P-C4' energy: -125.498 flat angles P-C4'-P energy: -57.788 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -865.284510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.284510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.284510 (E_RNA) where: Base-Base interactions energy: -374.142 where: short stacking energy: -350.846 Base-Backbone interact. energy: 3.413 local terms energy: -494.555802 where: bonds (distance) C4'-P energy: -136.796 bonds (distance) P-C4' energy: -163.109 flat angles C4'-P-C4' energy: -125.156 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -771.752258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.752258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.752258 (E_RNA) where: Base-Base interactions energy: -295.273 where: short stacking energy: -262.774 Base-Backbone interact. energy: -2.049 local terms energy: -474.430735 where: bonds (distance) C4'-P energy: -128.711 bonds (distance) P-C4' energy: -175.468 flat angles C4'-P-C4' energy: -136.146 flat angles P-C4'-P energy: -46.201 tors. eta vs tors. theta energy: 12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2558.815949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.815949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.815949 (E_RNA) where: Base-Base interactions energy: -1601.086 where: short stacking energy: -983.207 Base-Backbone interact. energy: -3.454 local terms energy: -954.275526 where: bonds (distance) C4'-P energy: -166.144 bonds (distance) P-C4' energy: -196.723 flat angles C4'-P-C4' energy: -205.422 flat angles P-C4'-P energy: -142.668 tors. eta vs tors. theta energy: -243.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2321.517220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.517220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.517220 (E_RNA) where: Base-Base interactions energy: -1441.876 where: short stacking energy: -864.658 Base-Backbone interact. energy: -3.843 local terms energy: -875.798173 where: bonds (distance) C4'-P energy: -163.981 bonds (distance) P-C4' energy: -179.337 flat angles C4'-P-C4' energy: -196.731 flat angles P-C4'-P energy: -132.236 tors. eta vs tors. theta energy: -203.513 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: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2122.220333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.220333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.220333 (E_RNA) where: Base-Base interactions energy: -1324.204 where: short stacking energy: -828.256 Base-Backbone interact. energy: -4.696 local terms energy: -793.320392 where: bonds (distance) C4'-P energy: -161.012 bonds (distance) P-C4' energy: -159.756 flat angles C4'-P-C4' energy: -171.270 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -192.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1878.300557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.300557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.300557 (E_RNA) where: Base-Base interactions energy: -1099.586 where: short stacking energy: -693.528 Base-Backbone interact. energy: -1.311 local terms energy: -777.403021 where: bonds (distance) C4'-P energy: -156.843 bonds (distance) P-C4' energy: -178.563 flat angles C4'-P-C4' energy: -184.831 flat angles P-C4'-P energy: -110.090 tors. eta vs tors. theta energy: -147.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1781.711749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.711749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.711749 (E_RNA) where: Base-Base interactions energy: -1051.986 where: short stacking energy: -634.203 Base-Backbone interact. energy: -0.163 local terms energy: -729.563193 where: bonds (distance) C4'-P energy: -165.448 bonds (distance) P-C4' energy: -158.747 flat angles C4'-P-C4' energy: -178.568 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -127.272 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: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1364.849218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.849218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.849218 (E_RNA) where: Base-Base interactions energy: -732.988 where: short stacking energy: -525.151 Base-Backbone interact. energy: 1.521 local terms energy: -633.382566 where: bonds (distance) C4'-P energy: -155.355 bonds (distance) P-C4' energy: -168.522 flat angles C4'-P-C4' energy: -151.144 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -74.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1076.420717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.420717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.420717 (E_RNA) where: Base-Base interactions energy: -509.107 where: short stacking energy: -424.998 Base-Backbone interact. energy: -3.104 local terms energy: -564.209727 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -157.652 flat angles C4'-P-C4' energy: -158.026 flat angles P-C4'-P energy: -86.278 tors. eta vs tors. theta energy: -21.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -939.144866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.144866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.144866 (E_RNA) where: Base-Base interactions energy: -380.445 where: short stacking energy: -311.872 Base-Backbone interact. energy: 1.059 local terms energy: -559.759317 where: bonds (distance) C4'-P energy: -149.768 bonds (distance) P-C4' energy: -154.105 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -95.232 tors. eta vs tors. theta energy: -12.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -865.952984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.952984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.952984 (E_RNA) where: Base-Base interactions energy: -386.592 where: short stacking energy: -340.974 Base-Backbone interact. energy: -2.459 local terms energy: -476.902006 where: bonds (distance) C4'-P energy: -124.537 bonds (distance) P-C4' energy: -137.509 flat angles C4'-P-C4' energy: -138.720 flat angles P-C4'-P energy: -65.727 tors. eta vs tors. theta energy: -10.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -756.693855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.693855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.693855 (E_RNA) where: Base-Base interactions energy: -315.762 where: short stacking energy: -294.241 Base-Backbone interact. energy: 7.576 local terms energy: -448.507946 where: bonds (distance) C4'-P energy: -115.518 bonds (distance) P-C4' energy: -167.334 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -42.003 tors. eta vs tors. theta energy: 4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2570.203935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.203935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.203935 (E_RNA) where: Base-Base interactions energy: -1614.383 where: short stacking energy: -951.953 Base-Backbone interact. energy: -5.527 local terms energy: -950.294514 where: bonds (distance) C4'-P energy: -173.591 bonds (distance) P-C4' energy: -182.146 flat angles C4'-P-C4' energy: -199.873 flat angles P-C4'-P energy: -147.800 tors. eta vs tors. theta energy: -246.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2348.080274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.080274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.080274 (E_RNA) where: Base-Base interactions energy: -1459.708 where: short stacking energy: -870.439 Base-Backbone interact. energy: -1.246 local terms energy: -887.126250 where: bonds (distance) C4'-P energy: -172.962 bonds (distance) P-C4' energy: -169.436 flat angles C4'-P-C4' energy: -197.276 flat angles P-C4'-P energy: -139.170 tors. eta vs tors. theta energy: -208.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2127.243690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.243690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.243690 (E_RNA) where: Base-Base interactions energy: -1276.119 where: short stacking energy: -799.552 Base-Backbone interact. energy: -2.150 local terms energy: -848.974792 where: bonds (distance) C4'-P energy: -179.212 bonds (distance) P-C4' energy: -186.203 flat angles C4'-P-C4' energy: -179.089 flat angles P-C4'-P energy: -117.599 tors. eta vs tors. theta energy: -186.872 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: 214 Temperature: 1.050000 Total energy: -1838.823894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.823894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.823894 (E_RNA) where: Base-Base interactions energy: -1084.565 where: short stacking energy: -671.805 Base-Backbone interact. energy: 3.612 local terms energy: -757.871157 where: bonds (distance) C4'-P energy: -173.247 bonds (distance) P-C4' energy: -171.029 flat angles C4'-P-C4' energy: -172.583 flat angles P-C4'-P energy: -96.546 tors. eta vs tors. theta energy: -144.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1818.178089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.178089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.178089 (E_RNA) where: Base-Base interactions energy: -1070.511 where: short stacking energy: -661.945 Base-Backbone interact. energy: -0.972 local terms energy: -746.695133 where: bonds (distance) C4'-P energy: -164.844 bonds (distance) P-C4' energy: -177.146 flat angles C4'-P-C4' energy: -175.603 flat angles P-C4'-P energy: -110.388 tors. eta vs tors. theta energy: -118.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1411.256978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.256978 (E_RNA) where: Base-Base interactions energy: -757.234 where: short stacking energy: -532.011 Base-Backbone interact. energy: -1.601 local terms energy: -652.421423 where: bonds (distance) C4'-P energy: -151.476 bonds (distance) P-C4' energy: -158.285 flat angles C4'-P-C4' energy: -165.896 flat angles P-C4'-P energy: -95.860 tors. eta vs tors. theta energy: -80.904 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: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1045.784348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.784348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.784348 (E_RNA) where: Base-Base interactions energy: -472.487 where: short stacking energy: -404.507 Base-Backbone interact. energy: -0.692 local terms energy: -572.605375 where: bonds (distance) C4'-P energy: -146.819 bonds (distance) P-C4' energy: -161.787 flat angles C4'-P-C4' energy: -140.253 flat angles P-C4'-P energy: -100.906 tors. eta vs tors. theta energy: -22.839 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: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1028.213779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.213779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.213779 (E_RNA) where: Base-Base interactions energy: -454.245 where: short stacking energy: -393.272 Base-Backbone interact. energy: 0.949 local terms energy: -574.917297 where: bonds (distance) C4'-P energy: -139.150 bonds (distance) P-C4' energy: -175.369 flat angles C4'-P-C4' energy: -157.496 flat angles P-C4'-P energy: -87.560 tors. eta vs tors. theta energy: -15.342 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: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -862.890602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.890602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.890602 (E_RNA) where: Base-Base interactions energy: -373.263 where: short stacking energy: -305.327 Base-Backbone interact. energy: -2.032 local terms energy: -487.595985 where: bonds (distance) C4'-P energy: -136.489 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -113.163 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: 9.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -753.133381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.133381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.133381 (E_RNA) where: Base-Base interactions energy: -287.477 where: short stacking energy: -250.487 Base-Backbone interact. energy: -0.065 local terms energy: -465.592128 where: bonds (distance) C4'-P energy: -126.956 bonds (distance) P-C4' energy: -152.124 flat angles C4'-P-C4' energy: -128.354 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: 15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2543.490766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.490766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.490766 (E_RNA) where: Base-Base interactions energy: -1568.110 where: short stacking energy: -947.285 Base-Backbone interact. energy: -3.583 local terms energy: -971.798016 where: bonds (distance) C4'-P energy: -188.618 bonds (distance) P-C4' energy: -185.962 flat angles C4'-P-C4' energy: -205.280 flat angles P-C4'-P energy: -148.676 tors. eta vs tors. theta energy: -243.263 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: 215 Temperature: 0.950000 Total energy: -2387.724246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.724246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.724246 (E_RNA) where: Base-Base interactions energy: -1486.211 where: short stacking energy: -881.716 Base-Backbone interact. energy: -4.301 local terms energy: -897.211428 where: bonds (distance) C4'-P energy: -189.900 bonds (distance) P-C4' energy: -174.634 flat angles C4'-P-C4' energy: -197.311 flat angles P-C4'-P energy: -119.473 tors. eta vs tors. theta energy: -215.894 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: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2175.768884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.768884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.768884 (E_RNA) where: Base-Base interactions energy: -1331.902 where: short stacking energy: -825.091 Base-Backbone interact. energy: -0.977 local terms energy: -842.890382 where: bonds (distance) C4'-P energy: -165.459 bonds (distance) P-C4' energy: -159.449 flat angles C4'-P-C4' energy: -191.496 flat angles P-C4'-P energy: -107.482 tors. eta vs tors. theta energy: -219.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1879.108159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.108159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.108159 (E_RNA) where: Base-Base interactions energy: -1102.641 where: short stacking energy: -706.300 Base-Backbone interact. energy: -1.246 local terms energy: -775.220933 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -181.703 flat angles C4'-P-C4' energy: -180.868 flat angles P-C4'-P energy: -115.665 tors. eta vs tors. theta energy: -141.750 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: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1772.970059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.970059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.970059 (E_RNA) where: Base-Base interactions energy: -1048.525 where: short stacking energy: -640.111 Base-Backbone interact. energy: 0.470 local terms energy: -724.914866 where: bonds (distance) C4'-P energy: -158.678 bonds (distance) P-C4' energy: -167.378 flat angles C4'-P-C4' energy: -173.099 flat angles P-C4'-P energy: -98.532 tors. eta vs tors. theta energy: -127.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1306.044894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.044894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.044894 (E_RNA) where: Base-Base interactions energy: -653.231 where: short stacking energy: -466.260 Base-Backbone interact. energy: -3.402 local terms energy: -649.412134 where: bonds (distance) C4'-P energy: -172.368 bonds (distance) P-C4' energy: -173.898 flat angles C4'-P-C4' energy: -160.510 flat angles P-C4'-P energy: -95.054 tors. eta vs tors. theta energy: -47.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1026.174171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.174171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.174171 (E_RNA) where: Base-Base interactions energy: -449.251 where: short stacking energy: -412.638 Base-Backbone interact. energy: -2.781 local terms energy: -574.142477 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -162.751 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -70.222 tors. eta vs tors. theta energy: -39.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -955.527335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.527335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.527335 (E_RNA) where: Base-Base interactions energy: -399.432 where: short stacking energy: -344.725 Base-Backbone interact. energy: -2.835 local terms energy: -553.260997 where: bonds (distance) C4'-P energy: -137.131 bonds (distance) P-C4' energy: -148.937 flat angles C4'-P-C4' energy: -163.991 flat angles P-C4'-P energy: -89.485 tors. eta vs tors. theta energy: -13.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -899.829796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.829796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.829796 (E_RNA) where: Base-Base interactions energy: -391.432 where: short stacking energy: -335.794 Base-Backbone interact. energy: -1.368 local terms energy: -507.029863 where: bonds (distance) C4'-P energy: -140.298 bonds (distance) P-C4' energy: -147.621 flat angles C4'-P-C4' energy: -131.057 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -9.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -760.739127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.739127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.739127 (E_RNA) where: Base-Base interactions energy: -344.207 where: short stacking energy: -319.150 Base-Backbone interact. energy: -6.310 local terms energy: -410.221995 where: bonds (distance) C4'-P energy: -145.422 bonds (distance) P-C4' energy: -136.249 flat angles C4'-P-C4' energy: -115.784 flat angles P-C4'-P energy: -46.384 tors. eta vs tors. theta energy: 33.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2542.467037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.467037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.467037 (E_RNA) where: Base-Base interactions energy: -1595.986 where: short stacking energy: -936.105 Base-Backbone interact. energy: -4.131 local terms energy: -942.350009 where: bonds (distance) C4'-P energy: -178.652 bonds (distance) P-C4' energy: -185.895 flat angles C4'-P-C4' energy: -216.513 flat angles P-C4'-P energy: -130.557 tors. eta vs tors. theta energy: -230.734 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: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2401.120666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.120666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.120666 (E_RNA) where: Base-Base interactions energy: -1517.992 where: short stacking energy: -867.209 Base-Backbone interact. energy: -5.319 local terms energy: -877.809958 where: bonds (distance) C4'-P energy: -169.755 bonds (distance) P-C4' energy: -182.853 flat angles C4'-P-C4' energy: -195.162 flat angles P-C4'-P energy: -115.245 tors. eta vs tors. theta energy: -214.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2194.910121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.910121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.910121 (E_RNA) where: Base-Base interactions energy: -1318.921 where: short stacking energy: -836.603 Base-Backbone interact. energy: -1.514 local terms energy: -874.475180 where: bonds (distance) C4'-P energy: -164.235 bonds (distance) P-C4' energy: -163.949 flat angles C4'-P-C4' energy: -187.153 flat angles P-C4'-P energy: -135.963 tors. eta vs tors. theta energy: -223.175 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: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1908.464573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.464573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.464573 (E_RNA) where: Base-Base interactions energy: -1137.491 where: short stacking energy: -697.382 Base-Backbone interact. energy: -10.391 local terms energy: -760.582200 where: bonds (distance) C4'-P energy: -149.490 bonds (distance) P-C4' energy: -180.746 flat angles C4'-P-C4' energy: -190.989 flat angles P-C4'-P energy: -89.575 tors. eta vs tors. theta energy: -149.782 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: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1770.352408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.352408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.352408 (E_RNA) where: Base-Base interactions energy: -1042.078 where: short stacking energy: -613.595 Base-Backbone interact. energy: -1.340 local terms energy: -726.934002 where: bonds (distance) C4'-P energy: -169.722 bonds (distance) P-C4' energy: -166.884 flat angles C4'-P-C4' energy: -168.362 flat angles P-C4'-P energy: -104.661 tors. eta vs tors. theta energy: -117.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1346.873318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.873318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.873318 (E_RNA) where: Base-Base interactions energy: -733.906 where: short stacking energy: -487.700 Base-Backbone interact. energy: -3.858 local terms energy: -609.108824 where: bonds (distance) C4'-P energy: -172.134 bonds (distance) P-C4' energy: -140.546 flat angles C4'-P-C4' energy: -146.971 flat angles P-C4'-P energy: -106.000 tors. eta vs tors. theta energy: -43.458 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: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1026.894120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.894120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.894120 (E_RNA) where: Base-Base interactions energy: -459.299 where: short stacking energy: -382.476 Base-Backbone interact. energy: 5.485 local terms energy: -573.080359 where: bonds (distance) C4'-P energy: -147.787 bonds (distance) P-C4' energy: -142.349 flat angles C4'-P-C4' energy: -158.189 flat angles P-C4'-P energy: -89.590 tors. eta vs tors. theta energy: -35.165 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: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -984.188013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.188013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.188013 (E_RNA) where: Base-Base interactions energy: -474.366 where: short stacking energy: -353.549 Base-Backbone interact. energy: -2.905 local terms energy: -506.917456 where: bonds (distance) C4'-P energy: -138.717 bonds (distance) P-C4' energy: -154.780 flat angles C4'-P-C4' energy: -139.171 flat angles P-C4'-P energy: -66.586 tors. eta vs tors. theta energy: -7.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -875.460453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.460453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.460453 (E_RNA) where: Base-Base interactions energy: -377.322 where: short stacking energy: -322.463 Base-Backbone interact. energy: 5.499 local terms energy: -503.637384 where: bonds (distance) C4'-P energy: -153.403 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -111.183 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -785.238687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.238687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.238687 (E_RNA) where: Base-Base interactions energy: -287.069 where: short stacking energy: -274.770 Base-Backbone interact. energy: 1.726 local terms energy: -499.894993 where: bonds (distance) C4'-P energy: -159.513 bonds (distance) P-C4' energy: -155.897 flat angles C4'-P-C4' energy: -124.019 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: 7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2558.081451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.081451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.081451 (E_RNA) where: Base-Base interactions energy: -1580.940 where: short stacking energy: -946.930 Base-Backbone interact. energy: -2.869 local terms energy: -974.272825 where: bonds (distance) C4'-P energy: -189.746 bonds (distance) P-C4' energy: -191.012 flat angles C4'-P-C4' energy: -203.405 flat angles P-C4'-P energy: -140.735 tors. eta vs tors. theta energy: -249.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2399.494068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.494068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.494068 (E_RNA) where: Base-Base interactions energy: -1497.403 where: short stacking energy: -886.062 Base-Backbone interact. energy: -1.646 local terms energy: -900.445236 where: bonds (distance) C4'-P energy: -175.988 bonds (distance) P-C4' energy: -176.607 flat angles C4'-P-C4' energy: -198.634 flat angles P-C4'-P energy: -136.026 tors. eta vs tors. theta energy: -213.190 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: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2123.510180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.510180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.510180 (E_RNA) where: Base-Base interactions energy: -1294.426 where: short stacking energy: -800.634 Base-Backbone interact. energy: 1.215 local terms energy: -830.298580 where: bonds (distance) C4'-P energy: -159.794 bonds (distance) P-C4' energy: -176.671 flat angles C4'-P-C4' energy: -176.399 flat angles P-C4'-P energy: -120.365 tors. eta vs tors. theta energy: -197.069 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: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1915.696357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.696357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.696357 (E_RNA) where: Base-Base interactions energy: -1132.424 where: short stacking energy: -702.098 Base-Backbone interact. energy: -3.787 local terms energy: -779.485117 where: bonds (distance) C4'-P energy: -156.647 bonds (distance) P-C4' energy: -179.368 flat angles C4'-P-C4' energy: -186.684 flat angles P-C4'-P energy: -98.370 tors. eta vs tors. theta energy: -158.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1713.565065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.565065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.565065 (E_RNA) where: Base-Base interactions energy: -1021.037 where: short stacking energy: -653.773 Base-Backbone interact. energy: -1.053 local terms energy: -691.475337 where: bonds (distance) C4'-P energy: -162.711 bonds (distance) P-C4' energy: -167.250 flat angles C4'-P-C4' energy: -150.331 flat angles P-C4'-P energy: -102.115 tors. eta vs tors. theta energy: -109.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1341.014153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.014153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.014153 (E_RNA) where: Base-Base interactions energy: -709.078 where: short stacking energy: -451.714 Base-Backbone interact. energy: 1.255 local terms energy: -633.191852 where: bonds (distance) C4'-P energy: -151.587 bonds (distance) P-C4' energy: -180.268 flat angles C4'-P-C4' energy: -132.928 flat angles P-C4'-P energy: -90.928 tors. eta vs tors. theta energy: -77.482 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: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1064.290877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.290877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.290877 (E_RNA) where: Base-Base interactions energy: -487.992 where: short stacking energy: -429.093 Base-Backbone interact. energy: -0.833 local terms energy: -575.466208 where: bonds (distance) C4'-P energy: -153.223 bonds (distance) P-C4' energy: -144.898 flat angles C4'-P-C4' energy: -131.558 flat angles P-C4'-P energy: -111.091 tors. eta vs tors. theta energy: -34.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1002.509810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.509810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.509810 (E_RNA) where: Base-Base interactions energy: -466.736 where: short stacking energy: -366.747 Base-Backbone interact. energy: -4.381 local terms energy: -531.392156 where: bonds (distance) C4'-P energy: -140.882 bonds (distance) P-C4' energy: -150.847 flat angles C4'-P-C4' energy: -144.056 flat angles P-C4'-P energy: -66.304 tors. eta vs tors. theta energy: -29.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -866.938163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.938163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.938163 (E_RNA) where: Base-Base interactions energy: -374.691 where: short stacking energy: -298.246 Base-Backbone interact. energy: -1.665 local terms energy: -490.582268 where: bonds (distance) C4'-P energy: -136.481 bonds (distance) P-C4' energy: -150.654 flat angles C4'-P-C4' energy: -134.031 flat angles P-C4'-P energy: -82.908 tors. eta vs tors. theta energy: 13.492 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: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -758.077757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.077757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.077757 (E_RNA) where: Base-Base interactions energy: -289.576 where: short stacking energy: -249.014 Base-Backbone interact. energy: -1.196 local terms energy: -467.306239 where: bonds (distance) C4'-P energy: -145.696 bonds (distance) P-C4' energy: -153.483 flat angles C4'-P-C4' energy: -112.692 flat angles P-C4'-P energy: -80.256 tors. eta vs tors. theta energy: 24.820 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: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2475.115451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.115451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.115451 (E_RNA) where: Base-Base interactions energy: -1540.657 where: short stacking energy: -933.268 Base-Backbone interact. energy: -2.874 local terms energy: -931.583727 where: bonds (distance) C4'-P energy: -168.602 bonds (distance) P-C4' energy: -191.395 flat angles C4'-P-C4' energy: -199.950 flat angles P-C4'-P energy: -147.430 tors. eta vs tors. theta energy: -224.206 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: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2480.456056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.456056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.456056 (E_RNA) where: Base-Base interactions energy: -1530.874 where: short stacking energy: -936.130 Base-Backbone interact. energy: -0.899 local terms energy: -948.683775 where: bonds (distance) C4'-P energy: -175.814 bonds (distance) P-C4' energy: -169.104 flat angles C4'-P-C4' energy: -221.065 flat angles P-C4'-P energy: -137.835 tors. eta vs tors. theta energy: -244.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2166.718424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.718424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.718424 (E_RNA) where: Base-Base interactions energy: -1304.860 where: short stacking energy: -799.680 Base-Backbone interact. energy: 0.948 local terms energy: -862.806831 where: bonds (distance) C4'-P energy: -159.742 bonds (distance) P-C4' energy: -184.867 flat angles C4'-P-C4' energy: -200.956 flat angles P-C4'-P energy: -121.746 tors. eta vs tors. theta energy: -195.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1887.551149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.551149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.551149 (E_RNA) where: Base-Base interactions energy: -1132.465 where: short stacking energy: -696.729 Base-Backbone interact. energy: -2.446 local terms energy: -752.640285 where: bonds (distance) C4'-P energy: -137.320 bonds (distance) P-C4' energy: -181.779 flat angles C4'-P-C4' energy: -179.638 flat angles P-C4'-P energy: -119.435 tors. eta vs tors. theta energy: -134.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1745.883457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.883457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.883457 (E_RNA) where: Base-Base interactions energy: -1021.744 where: short stacking energy: -631.765 Base-Backbone interact. energy: -3.394 local terms energy: -720.744862 where: bonds (distance) C4'-P energy: -152.033 bonds (distance) P-C4' energy: -168.330 flat angles C4'-P-C4' energy: -161.139 flat angles P-C4'-P energy: -115.349 tors. eta vs tors. theta energy: -123.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1317.431711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.431711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.431711 (E_RNA) where: Base-Base interactions energy: -673.499 where: short stacking energy: -476.433 Base-Backbone interact. energy: 1.110 local terms energy: -645.042719 where: bonds (distance) C4'-P energy: -179.487 bonds (distance) P-C4' energy: -169.835 flat angles C4'-P-C4' energy: -145.291 flat angles P-C4'-P energy: -111.502 tors. eta vs tors. theta energy: -38.928 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: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1119.348128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.348128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.348128 (E_RNA) where: Base-Base interactions energy: -570.561 where: short stacking energy: -420.071 Base-Backbone interact. energy: -0.047 local terms energy: -548.740928 where: bonds (distance) C4'-P energy: -151.254 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -141.732 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -29.810 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: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -935.338064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.338064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.338064 (E_RNA) where: Base-Base interactions energy: -417.838 where: short stacking energy: -353.670 Base-Backbone interact. energy: 2.958 local terms energy: -520.457489 where: bonds (distance) C4'-P energy: -136.303 bonds (distance) P-C4' energy: -153.749 flat angles C4'-P-C4' energy: -122.431 flat angles P-C4'-P energy: -81.860 tors. eta vs tors. theta energy: -26.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -885.070412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.070412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.070412 (E_RNA) where: Base-Base interactions energy: -373.825 where: short stacking energy: -304.602 Base-Backbone interact. energy: -3.673 local terms energy: -507.572284 where: bonds (distance) C4'-P energy: -158.337 bonds (distance) P-C4' energy: -128.443 flat angles C4'-P-C4' energy: -144.797 flat angles P-C4'-P energy: -82.976 tors. eta vs tors. theta energy: 6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -759.399029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.399029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.399029 (E_RNA) where: Base-Base interactions energy: -306.053 where: short stacking energy: -272.608 Base-Backbone interact. energy: -0.812 local terms energy: -452.533419 where: bonds (distance) C4'-P energy: -129.743 bonds (distance) P-C4' energy: -146.908 flat angles C4'-P-C4' energy: -121.825 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: 5.648 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: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2518.963362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.963362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.963362 (E_RNA) where: Base-Base interactions energy: -1568.699 where: short stacking energy: -917.419 Base-Backbone interact. energy: -4.742 local terms energy: -945.523167 where: bonds (distance) C4'-P energy: -190.304 bonds (distance) P-C4' energy: -190.646 flat angles C4'-P-C4' energy: -201.204 flat angles P-C4'-P energy: -134.476 tors. eta vs tors. theta energy: -228.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2435.234434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.234434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.234434 (E_RNA) where: Base-Base interactions energy: -1509.616 where: short stacking energy: -929.703 Base-Backbone interact. energy: -2.528 local terms energy: -923.089844 where: bonds (distance) C4'-P energy: -170.847 bonds (distance) P-C4' energy: -165.078 flat angles C4'-P-C4' energy: -208.137 flat angles P-C4'-P energy: -135.366 tors. eta vs tors. theta energy: -243.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2163.242112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.242112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.242112 (E_RNA) where: Base-Base interactions energy: -1302.148 where: short stacking energy: -790.643 Base-Backbone interact. energy: -0.115 local terms energy: -860.978565 where: bonds (distance) C4'-P energy: -185.751 bonds (distance) P-C4' energy: -173.509 flat angles C4'-P-C4' energy: -185.801 flat angles P-C4'-P energy: -116.615 tors. eta vs tors. theta energy: -199.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1889.408002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.408002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.408002 (E_RNA) where: Base-Base interactions energy: -1144.685 where: short stacking energy: -683.296 Base-Backbone interact. energy: -0.182 local terms energy: -744.541125 where: bonds (distance) C4'-P energy: -184.325 bonds (distance) P-C4' energy: -164.761 flat angles C4'-P-C4' energy: -156.737 flat angles P-C4'-P energy: -96.630 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: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1633.055102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.055102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.055102 (E_RNA) where: Base-Base interactions energy: -921.137 where: short stacking energy: -567.459 Base-Backbone interact. energy: -2.326 local terms energy: -709.592744 where: bonds (distance) C4'-P energy: -158.968 bonds (distance) P-C4' energy: -160.920 flat angles C4'-P-C4' energy: -170.265 flat angles P-C4'-P energy: -114.611 tors. eta vs tors. theta energy: -104.829 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: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1408.226077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.226077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.226077 (E_RNA) where: Base-Base interactions energy: -776.593 where: short stacking energy: -543.395 Base-Backbone interact. energy: 4.586 local terms energy: -636.218776 where: bonds (distance) C4'-P energy: -163.197 bonds (distance) P-C4' energy: -161.727 flat angles C4'-P-C4' energy: -143.990 flat angles P-C4'-P energy: -83.472 tors. eta vs tors. theta energy: -83.834 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: 219 Temperature: 1.200000 Total energy: -1136.921237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.921237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.921237 (E_RNA) where: Base-Base interactions energy: -580.817 where: short stacking energy: -424.185 Base-Backbone interact. energy: -1.814 local terms energy: -554.290584 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -140.033 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -87.690 tors. eta vs tors. theta energy: -29.924 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: 219 Temperature: 1.250000 Total energy: -982.184691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.184691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.184691 (E_RNA) where: Base-Base interactions energy: -466.903 where: short stacking energy: -381.214 Base-Backbone interact. energy: 4.462 local terms energy: -519.744077 where: bonds (distance) C4'-P energy: -138.413 bonds (distance) P-C4' energy: -160.668 flat angles C4'-P-C4' energy: -110.788 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -20.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -884.828059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.828059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.828059 (E_RNA) where: Base-Base interactions energy: -388.076 where: short stacking energy: -324.070 Base-Backbone interact. energy: 7.409 local terms energy: -504.160612 where: bonds (distance) C4'-P energy: -132.650 bonds (distance) P-C4' energy: -152.221 flat angles C4'-P-C4' energy: -114.255 flat angles P-C4'-P energy: -95.798 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -709.268106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.268106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.268106 (E_RNA) where: Base-Base interactions energy: -270.939 where: short stacking energy: -228.518 Base-Backbone interact. energy: 0.267 local terms energy: -438.596147 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -132.807 flat angles P-C4'-P energy: -64.423 tors. eta vs tors. theta energy: 41.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2532.004462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.004462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.004462 (E_RNA) where: Base-Base interactions energy: -1601.840 where: short stacking energy: -934.491 Base-Backbone interact. energy: -1.200 local terms energy: -928.964295 where: bonds (distance) C4'-P energy: -169.719 bonds (distance) P-C4' energy: -187.066 flat angles C4'-P-C4' energy: -201.207 flat angles P-C4'-P energy: -139.361 tors. eta vs tors. theta energy: -231.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2440.323052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.323052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.323052 (E_RNA) where: Base-Base interactions energy: -1528.877 where: short stacking energy: -939.671 Base-Backbone interact. energy: -5.689 local terms energy: -905.756452 where: bonds (distance) C4'-P energy: -169.355 bonds (distance) P-C4' energy: -179.622 flat angles C4'-P-C4' energy: -189.011 flat angles P-C4'-P energy: -120.617 tors. eta vs tors. theta energy: -247.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2149.124001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.124001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.124001 (E_RNA) where: Base-Base interactions energy: -1296.550 where: short stacking energy: -797.252 Base-Backbone interact. energy: 1.509 local terms energy: -854.083253 where: bonds (distance) C4'-P energy: -171.266 bonds (distance) P-C4' energy: -182.345 flat angles C4'-P-C4' energy: -198.502 flat angles P-C4'-P energy: -122.127 tors. eta vs tors. theta energy: -179.844 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: 220 Temperature: 1.050000 Total energy: -1987.682645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.682645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.682645 (E_RNA) where: Base-Base interactions energy: -1213.218 where: short stacking energy: -721.037 Base-Backbone interact. energy: 1.453 local terms energy: -775.917666 where: bonds (distance) C4'-P energy: -154.523 bonds (distance) P-C4' energy: -167.583 flat angles C4'-P-C4' energy: -179.073 flat angles P-C4'-P energy: -115.079 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: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1635.747282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.747282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.747282 (E_RNA) where: Base-Base interactions energy: -918.381 where: short stacking energy: -568.345 Base-Backbone interact. energy: 0.392 local terms energy: -717.758845 where: bonds (distance) C4'-P energy: -153.256 bonds (distance) P-C4' energy: -167.341 flat angles C4'-P-C4' energy: -180.205 flat angles P-C4'-P energy: -107.575 tors. eta vs tors. theta energy: -109.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1362.739901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.739901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.739901 (E_RNA) where: Base-Base interactions energy: -696.144 where: short stacking energy: -509.659 Base-Backbone interact. energy: 6.379 local terms energy: -672.975656 where: bonds (distance) C4'-P energy: -167.275 bonds (distance) P-C4' energy: -165.870 flat angles C4'-P-C4' energy: -152.605 flat angles P-C4'-P energy: -92.539 tors. eta vs tors. theta energy: -94.687 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: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1114.448319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.448319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.448319 (E_RNA) where: Base-Base interactions energy: -523.799 where: short stacking energy: -380.696 Base-Backbone interact. energy: 5.759 local terms energy: -596.408465 where: bonds (distance) C4'-P energy: -162.611 bonds (distance) P-C4' energy: -149.076 flat angles C4'-P-C4' energy: -155.897 flat angles P-C4'-P energy: -94.918 tors. eta vs tors. theta energy: -33.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1049.673650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.673650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.673650 (E_RNA) where: Base-Base interactions energy: -503.354 where: short stacking energy: -384.506 Base-Backbone interact. energy: -2.138 local terms energy: -544.181419 where: bonds (distance) C4'-P energy: -160.087 bonds (distance) P-C4' energy: -142.443 flat angles C4'-P-C4' energy: -139.125 flat angles P-C4'-P energy: -81.307 tors. eta vs tors. theta energy: -21.220 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: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -826.271736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.271736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.271736 (E_RNA) where: Base-Base interactions energy: -340.172 where: short stacking energy: -292.149 Base-Backbone interact. energy: -0.197 local terms energy: -485.903599 where: bonds (distance) C4'-P energy: -153.766 bonds (distance) P-C4' energy: -167.509 flat angles C4'-P-C4' energy: -102.807 flat angles P-C4'-P energy: -70.436 tors. eta vs tors. theta energy: 8.615 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: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -783.587202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.587202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.587202 (E_RNA) where: Base-Base interactions energy: -316.710 where: short stacking energy: -280.595 Base-Backbone interact. energy: 2.261 local terms energy: -469.137912 where: bonds (distance) C4'-P energy: -142.614 bonds (distance) P-C4' energy: -140.876 flat angles C4'-P-C4' energy: -120.378 flat angles P-C4'-P energy: -76.930 tors. eta vs tors. theta energy: 11.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2513.104030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.104030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.104030 (E_RNA) where: Base-Base interactions energy: -1560.923 where: short stacking energy: -944.457 Base-Backbone interact. energy: -6.269 local terms energy: -945.911528 where: bonds (distance) C4'-P energy: -185.738 bonds (distance) P-C4' energy: -194.003 flat angles C4'-P-C4' energy: -194.923 flat angles P-C4'-P energy: -130.595 tors. eta vs tors. theta energy: -240.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2453.918117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.918117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.918117 (E_RNA) where: Base-Base interactions energy: -1533.224 where: short stacking energy: -891.666 Base-Backbone interact. energy: 1.310 local terms energy: -922.003789 where: bonds (distance) C4'-P energy: -174.469 bonds (distance) P-C4' energy: -182.697 flat angles C4'-P-C4' energy: -198.072 flat angles P-C4'-P energy: -134.721 tors. eta vs tors. theta energy: -232.045 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: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2107.695667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.695667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.695667 (E_RNA) where: Base-Base interactions energy: -1268.000 where: short stacking energy: -779.323 Base-Backbone interact. energy: -5.703 local terms energy: -833.991992 where: bonds (distance) C4'-P energy: -187.150 bonds (distance) P-C4' energy: -166.595 flat angles C4'-P-C4' energy: -197.090 flat angles P-C4'-P energy: -103.243 tors. eta vs tors. theta energy: -179.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1905.230761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.230761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.230761 (E_RNA) where: Base-Base interactions energy: -1128.303 where: short stacking energy: -676.870 Base-Backbone interact. energy: -2.496 local terms energy: -774.431533 where: bonds (distance) C4'-P energy: -164.468 bonds (distance) P-C4' energy: -171.811 flat angles C4'-P-C4' energy: -183.976 flat angles P-C4'-P energy: -106.218 tors. eta vs tors. theta energy: -147.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1696.373380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.373380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.373380 (E_RNA) where: Base-Base interactions energy: -978.820 where: short stacking energy: -613.049 Base-Backbone interact. energy: -1.279 local terms energy: -716.273951 where: bonds (distance) C4'-P energy: -159.558 bonds (distance) P-C4' energy: -164.203 flat angles C4'-P-C4' energy: -177.760 flat angles P-C4'-P energy: -97.364 tors. eta vs tors. theta energy: -117.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1378.962604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.962604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.962604 (E_RNA) where: Base-Base interactions energy: -724.876 where: short stacking energy: -524.522 Base-Backbone interact. energy: 0.284 local terms energy: -654.370567 where: bonds (distance) C4'-P energy: -165.322 bonds (distance) P-C4' energy: -159.401 flat angles C4'-P-C4' energy: -159.977 flat angles P-C4'-P energy: -92.291 tors. eta vs tors. theta energy: -77.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1114.595994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.595994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.595994 (E_RNA) where: Base-Base interactions energy: -533.530 where: short stacking energy: -437.567 Base-Backbone interact. energy: 6.001 local terms energy: -587.067298 where: bonds (distance) C4'-P energy: -152.595 bonds (distance) P-C4' energy: -162.448 flat angles C4'-P-C4' energy: -156.581 flat angles P-C4'-P energy: -77.427 tors. eta vs tors. theta energy: -38.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1021.560671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.560671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.560671 (E_RNA) where: Base-Base interactions energy: -476.434 where: short stacking energy: -360.436 Base-Backbone interact. energy: 5.161 local terms energy: -550.287925 where: bonds (distance) C4'-P energy: -146.556 bonds (distance) P-C4' energy: -138.636 flat angles C4'-P-C4' energy: -139.327 flat angles P-C4'-P energy: -89.977 tors. eta vs tors. theta energy: -35.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -879.494322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.494322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.494322 (E_RNA) where: Base-Base interactions energy: -361.716 where: short stacking energy: -298.630 Base-Backbone interact. energy: -2.823 local terms energy: -514.955814 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -139.769 flat angles C4'-P-C4' energy: -133.823 flat angles P-C4'-P energy: -86.988 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -767.179281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.179281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.179281 (E_RNA) where: Base-Base interactions energy: -290.923 where: short stacking energy: -276.502 Base-Backbone interact. energy: 3.235 local terms energy: -479.490528 where: bonds (distance) C4'-P energy: -150.499 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -125.135 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2532.386869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.386869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.386869 (E_RNA) where: Base-Base interactions energy: -1596.798 where: short stacking energy: -968.492 Base-Backbone interact. energy: -1.539 local terms energy: -934.050305 where: bonds (distance) C4'-P energy: -179.168 bonds (distance) P-C4' energy: -178.481 flat angles C4'-P-C4' energy: -214.133 flat angles P-C4'-P energy: -117.322 tors. eta vs tors. theta energy: -244.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2472.564214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.564214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.564214 (E_RNA) where: Base-Base interactions energy: -1536.991 where: short stacking energy: -949.034 Base-Backbone interact. energy: -7.467 local terms energy: -928.106536 where: bonds (distance) C4'-P energy: -182.437 bonds (distance) P-C4' energy: -185.881 flat angles C4'-P-C4' energy: -197.023 flat angles P-C4'-P energy: -118.883 tors. eta vs tors. theta energy: -243.882 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: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2110.722367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.722367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.722367 (E_RNA) where: Base-Base interactions energy: -1253.286 where: short stacking energy: -773.213 Base-Backbone interact. energy: -5.377 local terms energy: -852.059199 where: bonds (distance) C4'-P energy: -184.729 bonds (distance) P-C4' energy: -175.837 flat angles C4'-P-C4' energy: -207.700 flat angles P-C4'-P energy: -105.831 tors. eta vs tors. theta energy: -177.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1917.393562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.393562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.393562 (E_RNA) where: Base-Base interactions energy: -1152.142 where: short stacking energy: -734.791 Base-Backbone interact. energy: -2.717 local terms energy: -762.534433 where: bonds (distance) C4'-P energy: -165.070 bonds (distance) P-C4' energy: -176.078 flat angles C4'-P-C4' energy: -175.366 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -148.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1728.037575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.037575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.037575 (E_RNA) where: Base-Base interactions energy: -1017.040 where: short stacking energy: -607.187 Base-Backbone interact. energy: 0.785 local terms energy: -711.783017 where: bonds (distance) C4'-P energy: -146.843 bonds (distance) P-C4' energy: -169.015 flat angles C4'-P-C4' energy: -172.678 flat angles P-C4'-P energy: -95.491 tors. eta vs tors. theta energy: -127.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1327.246636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.246636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.246636 (E_RNA) where: Base-Base interactions energy: -678.073 where: short stacking energy: -512.154 Base-Backbone interact. energy: 0.689 local terms energy: -649.861918 where: bonds (distance) C4'-P energy: -156.931 bonds (distance) P-C4' energy: -170.251 flat angles C4'-P-C4' energy: -171.272 flat angles P-C4'-P energy: -82.783 tors. eta vs tors. theta energy: -68.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1145.122958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.122958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.122958 (E_RNA) where: Base-Base interactions energy: -564.655 where: short stacking energy: -449.268 Base-Backbone interact. energy: 1.744 local terms energy: -582.212048 where: bonds (distance) C4'-P energy: -138.466 bonds (distance) P-C4' energy: -152.512 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -81.598 tors. eta vs tors. theta energy: -57.441 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: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -965.716919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.716919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.716919 (E_RNA) where: Base-Base interactions energy: -429.433 where: short stacking energy: -361.510 Base-Backbone interact. energy: 2.134 local terms energy: -538.417427 where: bonds (distance) C4'-P energy: -133.038 bonds (distance) P-C4' energy: -161.156 flat angles C4'-P-C4' energy: -131.786 flat angles P-C4'-P energy: -89.262 tors. eta vs tors. theta energy: -23.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -795.072874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.072874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.072874 (E_RNA) where: Base-Base interactions energy: -336.176 where: short stacking energy: -270.390 Base-Backbone interact. energy: 5.248 local terms energy: -464.144124 where: bonds (distance) C4'-P energy: -117.049 bonds (distance) P-C4' energy: -160.923 flat angles C4'-P-C4' energy: -134.115 flat angles P-C4'-P energy: -68.916 tors. eta vs tors. theta energy: 16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -734.063697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.063697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.063697 (E_RNA) where: Base-Base interactions energy: -320.714 where: short stacking energy: -278.850 Base-Backbone interact. energy: 9.193 local terms energy: -422.542550 where: bonds (distance) C4'-P energy: -145.979 bonds (distance) P-C4' energy: -135.998 flat angles C4'-P-C4' energy: -116.011 flat angles P-C4'-P energy: -51.535 tors. eta vs tors. theta energy: 26.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2546.768340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.768340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.768340 (E_RNA) where: Base-Base interactions energy: -1559.934 where: short stacking energy: -957.132 Base-Backbone interact. energy: -7.127 local terms energy: -979.707299 where: bonds (distance) C4'-P energy: -181.351 bonds (distance) P-C4' energy: -191.845 flat angles C4'-P-C4' energy: -214.288 flat angles P-C4'-P energy: -142.271 tors. eta vs tors. theta energy: -249.953 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: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2423.542356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.542356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.542356 (E_RNA) where: Base-Base interactions energy: -1496.847 where: short stacking energy: -900.842 Base-Backbone interact. energy: 0.839 local terms energy: -927.534870 where: bonds (distance) C4'-P energy: -182.736 bonds (distance) P-C4' energy: -179.087 flat angles C4'-P-C4' energy: -193.371 flat angles P-C4'-P energy: -133.907 tors. eta vs tors. theta energy: -238.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2111.005382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.005382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.005382 (E_RNA) where: Base-Base interactions energy: -1265.227 where: short stacking energy: -785.929 Base-Backbone interact. energy: -2.590 local terms energy: -843.188594 where: bonds (distance) C4'-P energy: -164.878 bonds (distance) P-C4' energy: -186.470 flat angles C4'-P-C4' energy: -198.514 flat angles P-C4'-P energy: -112.750 tors. eta vs tors. theta energy: -180.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1993.342413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.342413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.342413 (E_RNA) where: Base-Base interactions energy: -1188.254 where: short stacking energy: -703.288 Base-Backbone interact. energy: 0.036 local terms energy: -805.123933 where: bonds (distance) C4'-P energy: -156.681 bonds (distance) P-C4' energy: -193.019 flat angles C4'-P-C4' energy: -168.714 flat angles P-C4'-P energy: -111.681 tors. eta vs tors. theta energy: -175.029 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: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1771.080010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.080010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.080010 (E_RNA) where: Base-Base interactions energy: -1042.676 where: short stacking energy: -673.992 Base-Backbone interact. energy: -3.661 local terms energy: -724.742977 where: bonds (distance) C4'-P energy: -138.730 bonds (distance) P-C4' energy: -166.011 flat angles C4'-P-C4' energy: -163.641 flat angles P-C4'-P energy: -117.321 tors. eta vs tors. theta energy: -139.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1295.558331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.558331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.558331 (E_RNA) where: Base-Base interactions energy: -650.658 where: short stacking energy: -493.988 Base-Backbone interact. energy: -2.459 local terms energy: -642.440803 where: bonds (distance) C4'-P energy: -132.305 bonds (distance) P-C4' energy: -174.695 flat angles C4'-P-C4' energy: -147.148 flat angles P-C4'-P energy: -105.732 tors. eta vs tors. theta energy: -82.561 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: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1107.274004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.274004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.274004 (E_RNA) where: Base-Base interactions energy: -515.097 where: short stacking energy: -415.235 Base-Backbone interact. energy: -4.417 local terms energy: -587.760114 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -165.120 flat angles C4'-P-C4' energy: -159.733 flat angles P-C4'-P energy: -102.007 tors. eta vs tors. theta energy: -40.992 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: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1011.110324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.110324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.110324 (E_RNA) where: Base-Base interactions energy: -451.086 where: short stacking energy: -383.608 Base-Backbone interact. energy: 1.266 local terms energy: -561.290017 where: bonds (distance) C4'-P energy: -152.372 bonds (distance) P-C4' energy: -136.390 flat angles C4'-P-C4' energy: -150.235 flat angles P-C4'-P energy: -95.880 tors. eta vs tors. theta energy: -26.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -791.634636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.634636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.634636 (E_RNA) where: Base-Base interactions energy: -331.079 where: short stacking energy: -290.299 Base-Backbone interact. energy: -2.658 local terms energy: -457.898286 where: bonds (distance) C4'-P energy: -129.867 bonds (distance) P-C4' energy: -144.924 flat angles C4'-P-C4' energy: -150.217 flat angles P-C4'-P energy: -64.541 tors. eta vs tors. theta energy: 31.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -758.592088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.592088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.592088 (E_RNA) where: Base-Base interactions energy: -286.311 where: short stacking energy: -263.034 Base-Backbone interact. energy: -2.421 local terms energy: -469.859870 where: bonds (distance) C4'-P energy: -147.381 bonds (distance) P-C4' energy: -141.655 flat angles C4'-P-C4' energy: -131.085 flat angles P-C4'-P energy: -82.441 tors. eta vs tors. theta energy: 32.703 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: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2537.591190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.591190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.591190 (E_RNA) where: Base-Base interactions energy: -1615.342 where: short stacking energy: -966.437 Base-Backbone interact. energy: -2.727 local terms energy: -919.522505 where: bonds (distance) C4'-P energy: -169.234 bonds (distance) P-C4' energy: -178.697 flat angles C4'-P-C4' energy: -205.899 flat angles P-C4'-P energy: -135.406 tors. eta vs tors. theta energy: -230.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2420.580743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.580743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.580743 (E_RNA) where: Base-Base interactions energy: -1487.389 where: short stacking energy: -888.888 Base-Backbone interact. energy: -3.815 local terms energy: -929.377370 where: bonds (distance) C4'-P energy: -175.262 bonds (distance) P-C4' energy: -198.461 flat angles C4'-P-C4' energy: -204.416 flat angles P-C4'-P energy: -123.942 tors. eta vs tors. theta energy: -227.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2111.028523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.028523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.028523 (E_RNA) where: Base-Base interactions energy: -1317.709 where: short stacking energy: -819.659 Base-Backbone interact. energy: -3.105 local terms energy: -790.214392 where: bonds (distance) C4'-P energy: -151.054 bonds (distance) P-C4' energy: -166.259 flat angles C4'-P-C4' energy: -189.117 flat angles P-C4'-P energy: -95.273 tors. eta vs tors. theta energy: -188.512 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: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1948.817599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.817599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.817599 (E_RNA) where: Base-Base interactions energy: -1166.267 where: short stacking energy: -696.855 Base-Backbone interact. energy: -3.655 local terms energy: -778.896065 where: bonds (distance) C4'-P energy: -161.266 bonds (distance) P-C4' energy: -180.003 flat angles C4'-P-C4' energy: -180.141 flat angles P-C4'-P energy: -114.295 tors. eta vs tors. theta energy: -143.191 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: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1713.959680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.959680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.959680 (E_RNA) where: Base-Base interactions energy: -993.496 where: short stacking energy: -589.088 Base-Backbone interact. energy: -0.219 local terms energy: -720.244689 where: bonds (distance) C4'-P energy: -156.019 bonds (distance) P-C4' energy: -166.756 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -107.264 tors. eta vs tors. theta energy: -110.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1269.270916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.270916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.270916 (E_RNA) where: Base-Base interactions energy: -631.971 where: short stacking energy: -506.613 Base-Backbone interact. energy: -3.811 local terms energy: -633.488847 where: bonds (distance) C4'-P energy: -147.285 bonds (distance) P-C4' energy: -162.055 flat angles C4'-P-C4' energy: -158.127 flat angles P-C4'-P energy: -101.297 tors. eta vs tors. theta energy: -64.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1132.592023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.592023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.592023 (E_RNA) where: Base-Base interactions energy: -553.708 where: short stacking energy: -467.566 Base-Backbone interact. energy: -2.816 local terms energy: -576.068186 where: bonds (distance) C4'-P energy: -142.740 bonds (distance) P-C4' energy: -148.757 flat angles C4'-P-C4' energy: -127.358 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -69.929 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: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -928.855220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.855220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.855220 (E_RNA) where: Base-Base interactions energy: -433.971 where: short stacking energy: -348.861 Base-Backbone interact. energy: 0.248 local terms energy: -495.132704 where: bonds (distance) C4'-P energy: -135.712 bonds (distance) P-C4' energy: -162.151 flat angles C4'-P-C4' energy: -114.755 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -838.617819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.617819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.617819 (E_RNA) where: Base-Base interactions energy: -352.923 where: short stacking energy: -295.899 Base-Backbone interact. energy: 3.166 local terms energy: -488.861477 where: bonds (distance) C4'-P energy: -120.475 bonds (distance) P-C4' energy: -157.490 flat angles C4'-P-C4' energy: -125.464 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -783.227694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.227694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.227694 (E_RNA) where: Base-Base interactions energy: -306.463 where: short stacking energy: -278.425 Base-Backbone interact. energy: -1.772 local terms energy: -474.991880 where: bonds (distance) C4'-P energy: -130.633 bonds (distance) P-C4' energy: -148.591 flat angles C4'-P-C4' energy: -137.083 flat angles P-C4'-P energy: -68.282 tors. eta vs tors. theta energy: 9.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2524.738354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.738354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.738354 (E_RNA) where: Base-Base interactions energy: -1598.856 where: short stacking energy: -949.389 Base-Backbone interact. energy: -2.093 local terms energy: -923.788467 where: bonds (distance) C4'-P energy: -162.595 bonds (distance) P-C4' energy: -173.298 flat angles C4'-P-C4' energy: -203.176 flat angles P-C4'-P energy: -150.835 tors. eta vs tors. theta energy: -233.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2402.233501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.233501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.233501 (E_RNA) where: Base-Base interactions energy: -1503.492 where: short stacking energy: -906.138 Base-Backbone interact. energy: -3.195 local terms energy: -895.546188 where: bonds (distance) C4'-P energy: -187.021 bonds (distance) P-C4' energy: -161.283 flat angles C4'-P-C4' energy: -186.958 flat angles P-C4'-P energy: -128.672 tors. eta vs tors. theta energy: -231.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2151.457572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.457572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.457572 (E_RNA) where: Base-Base interactions energy: -1318.913 where: short stacking energy: -817.077 Base-Backbone interact. energy: -2.532 local terms energy: -830.012636 where: bonds (distance) C4'-P energy: -174.525 bonds (distance) P-C4' energy: -176.126 flat angles C4'-P-C4' energy: -181.691 flat angles P-C4'-P energy: -118.376 tors. eta vs tors. theta energy: -179.295 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: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1943.840420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.840420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.840420 (E_RNA) where: Base-Base interactions energy: -1179.709 where: short stacking energy: -694.990 Base-Backbone interact. energy: -3.941 local terms energy: -760.190631 where: bonds (distance) C4'-P energy: -155.052 bonds (distance) P-C4' energy: -180.898 flat angles C4'-P-C4' energy: -165.995 flat angles P-C4'-P energy: -104.740 tors. eta vs tors. theta energy: -153.504 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: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1801.488522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.488522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.488522 (E_RNA) where: Base-Base interactions energy: -1058.197 where: short stacking energy: -672.978 Base-Backbone interact. energy: 1.105 local terms energy: -744.396436 where: bonds (distance) C4'-P energy: -154.288 bonds (distance) P-C4' energy: -181.986 flat angles C4'-P-C4' energy: -179.024 flat angles P-C4'-P energy: -98.512 tors. eta vs tors. theta energy: -130.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1255.519475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.519475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.519475 (E_RNA) where: Base-Base interactions energy: -618.263 where: short stacking energy: -458.660 Base-Backbone interact. energy: 0.118 local terms energy: -637.375344 where: bonds (distance) C4'-P energy: -157.104 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -164.315 flat angles P-C4'-P energy: -101.031 tors. eta vs tors. theta energy: -51.438 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: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1028.681117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.681117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.681117 (E_RNA) where: Base-Base interactions energy: -427.630 where: short stacking energy: -391.680 Base-Backbone interact. energy: -0.411 local terms energy: -600.639391 where: bonds (distance) C4'-P energy: -169.620 bonds (distance) P-C4' energy: -142.500 flat angles C4'-P-C4' energy: -142.759 flat angles P-C4'-P energy: -106.046 tors. eta vs tors. theta energy: -39.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -903.156335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.156335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.156335 (E_RNA) where: Base-Base interactions energy: -365.864 where: short stacking energy: -303.671 Base-Backbone interact. energy: 5.315 local terms energy: -542.607263 where: bonds (distance) C4'-P energy: -153.779 bonds (distance) P-C4' energy: -173.335 flat angles C4'-P-C4' energy: -107.730 flat angles P-C4'-P energy: -96.959 tors. eta vs tors. theta energy: -10.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -841.469831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.469831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.469831 (E_RNA) where: Base-Base interactions energy: -356.111 where: short stacking energy: -283.986 Base-Backbone interact. energy: 4.034 local terms energy: -489.392853 where: bonds (distance) C4'-P energy: -140.058 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -78.899 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -734.315398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.315398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.315398 (E_RNA) where: Base-Base interactions energy: -306.937 where: short stacking energy: -259.442 Base-Backbone interact. energy: 3.299 local terms energy: -430.677399 where: bonds (distance) C4'-P energy: -121.425 bonds (distance) P-C4' energy: -160.011 flat angles C4'-P-C4' energy: -116.679 flat angles P-C4'-P energy: -69.565 tors. eta vs tors. theta energy: 37.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2548.217386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.217386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.217386 (E_RNA) where: Base-Base interactions energy: -1624.774 where: short stacking energy: -949.285 Base-Backbone interact. energy: -0.685 local terms energy: -922.758768 where: bonds (distance) C4'-P energy: -162.397 bonds (distance) P-C4' energy: -191.881 flat angles C4'-P-C4' energy: -194.199 flat angles P-C4'-P energy: -122.845 tors. eta vs tors. theta energy: -251.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2400.628589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.628589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.628589 (E_RNA) where: Base-Base interactions energy: -1455.056 where: short stacking energy: -925.080 Base-Backbone interact. energy: -0.126 local terms energy: -945.446629 where: bonds (distance) C4'-P energy: -186.669 bonds (distance) P-C4' energy: -195.003 flat angles C4'-P-C4' energy: -199.554 flat angles P-C4'-P energy: -126.792 tors. eta vs tors. theta energy: -237.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2154.401070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.401070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.401070 (E_RNA) where: Base-Base interactions energy: -1300.165 where: short stacking energy: -794.936 Base-Backbone interact. energy: -3.370 local terms energy: -850.865669 where: bonds (distance) C4'-P energy: -171.291 bonds (distance) P-C4' energy: -200.581 flat angles C4'-P-C4' energy: -174.651 flat angles P-C4'-P energy: -127.164 tors. eta vs tors. theta energy: -177.179 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: 4, replica: 4 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1992.660366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.660366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.660366 (E_RNA) where: Base-Base interactions energy: -1200.300 where: short stacking energy: -736.269 Base-Backbone interact. energy: 2.611 local terms energy: -794.971476 where: bonds (distance) C4'-P energy: -176.987 bonds (distance) P-C4' energy: -172.214 flat angles C4'-P-C4' energy: -177.529 flat angles P-C4'-P energy: -117.990 tors. eta vs tors. theta energy: -150.252 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: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1742.670690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.670690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.670690 (E_RNA) where: Base-Base interactions energy: -1047.370 where: short stacking energy: -628.736 Base-Backbone interact. energy: -1.348 local terms energy: -693.952762 where: bonds (distance) C4'-P energy: -135.136 bonds (distance) P-C4' energy: -163.387 flat angles C4'-P-C4' energy: -162.421 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -129.191 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: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1282.697808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.697808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.697808 (E_RNA) where: Base-Base interactions energy: -657.482 where: short stacking energy: -471.803 Base-Backbone interact. energy: -0.073 local terms energy: -625.143259 where: bonds (distance) C4'-P energy: -151.223 bonds (distance) P-C4' energy: -175.440 flat angles C4'-P-C4' energy: -143.652 flat angles P-C4'-P energy: -91.720 tors. eta vs tors. theta energy: -63.108 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: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1035.595416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.595416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.595416 (E_RNA) where: Base-Base interactions energy: -483.774 where: short stacking energy: -372.566 Base-Backbone interact. energy: -0.641 local terms energy: -551.180684 where: bonds (distance) C4'-P energy: -136.572 bonds (distance) P-C4' energy: -173.959 flat angles C4'-P-C4' energy: -134.920 flat angles P-C4'-P energy: -85.687 tors. eta vs tors. theta energy: -20.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -925.806246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.806246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.806246 (E_RNA) where: Base-Base interactions energy: -414.633 where: short stacking energy: -375.664 Base-Backbone interact. energy: 2.873 local terms energy: -514.045630 where: bonds (distance) C4'-P energy: -131.289 bonds (distance) P-C4' energy: -154.207 flat angles C4'-P-C4' energy: -136.919 flat angles P-C4'-P energy: -75.713 tors. eta vs tors. theta energy: -15.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -854.227227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.227227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.227227 (E_RNA) where: Base-Base interactions energy: -362.841 where: short stacking energy: -297.900 Base-Backbone interact. energy: 1.782 local terms energy: -493.168383 where: bonds (distance) C4'-P energy: -133.474 bonds (distance) P-C4' energy: -158.880 flat angles C4'-P-C4' energy: -135.651 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: 6.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -754.133426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.133426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.133426 (E_RNA) where: Base-Base interactions energy: -299.599 where: short stacking energy: -273.213 Base-Backbone interact. energy: 3.220 local terms energy: -457.754401 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -120.740 flat angles P-C4'-P energy: -82.869 tors. eta vs tors. theta energy: 11.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2512.129730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.129730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.129730 (E_RNA) where: Base-Base interactions energy: -1596.983 where: short stacking energy: -921.381 Base-Backbone interact. energy: -2.632 local terms energy: -912.514917 where: bonds (distance) C4'-P energy: -181.823 bonds (distance) P-C4' energy: -177.621 flat angles C4'-P-C4' energy: -205.111 flat angles P-C4'-P energy: -116.563 tors. eta vs tors. theta energy: -231.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2396.996675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.996675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.996675 (E_RNA) where: Base-Base interactions energy: -1492.202 where: short stacking energy: -898.997 Base-Backbone interact. energy: -4.544 local terms energy: -900.250278 where: bonds (distance) C4'-P energy: -172.834 bonds (distance) P-C4' energy: -186.051 flat angles C4'-P-C4' energy: -197.074 flat angles P-C4'-P energy: -120.475 tors. eta vs tors. theta energy: -223.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2164.508583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.508583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.508583 (E_RNA) where: Base-Base interactions energy: -1305.033 where: short stacking energy: -803.893 Base-Backbone interact. energy: -5.715 local terms energy: -853.760446 where: bonds (distance) C4'-P energy: -174.804 bonds (distance) P-C4' energy: -173.007 flat angles C4'-P-C4' energy: -188.771 flat angles P-C4'-P energy: -111.044 tors. eta vs tors. theta energy: -206.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1939.749127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.749127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.749127 (E_RNA) where: Base-Base interactions energy: -1150.830 where: short stacking energy: -675.876 Base-Backbone interact. energy: 0.269 local terms energy: -789.188119 where: bonds (distance) C4'-P energy: -172.454 bonds (distance) P-C4' energy: -176.145 flat angles C4'-P-C4' energy: -175.923 flat angles P-C4'-P energy: -116.239 tors. eta vs tors. theta energy: -148.426 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: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1671.402024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.402024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.402024 (E_RNA) where: Base-Base interactions energy: -980.525 where: short stacking energy: -608.664 Base-Backbone interact. energy: 1.026 local terms energy: -691.903564 where: bonds (distance) C4'-P energy: -164.129 bonds (distance) P-C4' energy: -151.765 flat angles C4'-P-C4' energy: -167.563 flat angles P-C4'-P energy: -104.212 tors. eta vs tors. theta energy: -104.234 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1303.228764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.228764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.228764 (E_RNA) where: Base-Base interactions energy: -644.503 where: short stacking energy: -482.291 Base-Backbone interact. energy: -4.132 local terms energy: -654.593607 where: bonds (distance) C4'-P energy: -149.093 bonds (distance) P-C4' energy: -166.377 flat angles C4'-P-C4' energy: -173.480 flat angles P-C4'-P energy: -96.479 tors. eta vs tors. theta energy: -69.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1087.765788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.765788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.765788 (E_RNA) where: Base-Base interactions energy: -509.806 where: short stacking energy: -430.187 Base-Backbone interact. energy: 5.766 local terms energy: -583.725256 where: bonds (distance) C4'-P energy: -159.571 bonds (distance) P-C4' energy: -154.577 flat angles C4'-P-C4' energy: -155.137 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -41.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -982.247538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.247538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.247538 (E_RNA) where: Base-Base interactions energy: -454.915 where: short stacking energy: -400.084 Base-Backbone interact. energy: 2.273 local terms energy: -529.605872 where: bonds (distance) C4'-P energy: -162.011 bonds (distance) P-C4' energy: -148.178 flat angles C4'-P-C4' energy: -134.491 flat angles P-C4'-P energy: -77.677 tors. eta vs tors. theta energy: -7.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -816.132632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.132632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.132632 (E_RNA) where: Base-Base interactions energy: -279.943 where: short stacking energy: -248.687 Base-Backbone interact. energy: 2.818 local terms energy: -539.008013 where: bonds (distance) C4'-P energy: -155.128 bonds (distance) P-C4' energy: -172.492 flat angles C4'-P-C4' energy: -138.945 flat angles P-C4'-P energy: -97.514 tors. eta vs tors. theta energy: 25.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -735.570185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.570185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.570185 (E_RNA) where: Base-Base interactions energy: -246.192 where: short stacking energy: -236.905 Base-Backbone interact. energy: 0.846 local terms energy: -490.223956 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -159.894 flat angles C4'-P-C4' energy: -140.565 flat angles P-C4'-P energy: -78.945 tors. eta vs tors. theta energy: 25.984 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: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2530.251965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.251965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.251965 (E_RNA) where: Base-Base interactions energy: -1576.709 where: short stacking energy: -967.485 Base-Backbone interact. energy: -3.068 local terms energy: -950.474666 where: bonds (distance) C4'-P energy: -186.802 bonds (distance) P-C4' energy: -184.839 flat angles C4'-P-C4' energy: -218.637 flat angles P-C4'-P energy: -123.448 tors. eta vs tors. theta energy: -236.748 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: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2358.597152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.597152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.597152 (E_RNA) where: Base-Base interactions energy: -1444.532 where: short stacking energy: -885.687 Base-Backbone interact. energy: -2.695 local terms energy: -911.370952 where: bonds (distance) C4'-P energy: -173.734 bonds (distance) P-C4' energy: -181.325 flat angles C4'-P-C4' energy: -194.853 flat angles P-C4'-P energy: -142.994 tors. eta vs tors. theta energy: -218.464 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: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2113.308058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.308058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.308058 (E_RNA) where: Base-Base interactions energy: -1288.653 where: short stacking energy: -810.308 Base-Backbone interact. energy: -1.245 local terms energy: -823.409995 where: bonds (distance) C4'-P energy: -162.802 bonds (distance) P-C4' energy: -157.422 flat angles C4'-P-C4' energy: -192.016 flat angles P-C4'-P energy: -123.576 tors. eta vs tors. theta energy: -187.595 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: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1953.228458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.228458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.228458 (E_RNA) where: Base-Base interactions energy: -1174.532 where: short stacking energy: -734.967 Base-Backbone interact. energy: -1.706 local terms energy: -776.990999 where: bonds (distance) C4'-P energy: -157.114 bonds (distance) P-C4' energy: -166.365 flat angles C4'-P-C4' energy: -174.061 flat angles P-C4'-P energy: -114.348 tors. eta vs tors. theta energy: -165.104 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: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1751.544244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.544244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.544244 (E_RNA) where: Base-Base interactions energy: -965.832 where: short stacking energy: -637.436 Base-Backbone interact. energy: -1.778 local terms energy: -783.934096 where: bonds (distance) C4'-P energy: -167.945 bonds (distance) P-C4' energy: -175.297 flat angles C4'-P-C4' energy: -180.441 flat angles P-C4'-P energy: -115.433 tors. eta vs tors. theta energy: -144.819 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: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1254.582561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.582561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.582561 (E_RNA) where: Base-Base interactions energy: -603.757 where: short stacking energy: -469.343 Base-Backbone interact. energy: -3.782 local terms energy: -647.043598 where: bonds (distance) C4'-P energy: -173.601 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -175.252 flat angles P-C4'-P energy: -77.955 tors. eta vs tors. theta energy: -55.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1145.823731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.823731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.823731 (E_RNA) where: Base-Base interactions energy: -551.128 where: short stacking energy: -489.916 Base-Backbone interact. energy: 3.864 local terms energy: -598.558838 where: bonds (distance) C4'-P energy: -137.699 bonds (distance) P-C4' energy: -170.307 flat angles C4'-P-C4' energy: -146.225 flat angles P-C4'-P energy: -89.660 tors. eta vs tors. theta energy: -54.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -941.908496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.908496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.908496 (E_RNA) where: Base-Base interactions energy: -400.431 where: short stacking energy: -334.479 Base-Backbone interact. energy: -2.950 local terms energy: -538.527676 where: bonds (distance) C4'-P energy: -159.951 bonds (distance) P-C4' energy: -166.368 flat angles C4'-P-C4' energy: -133.392 flat angles P-C4'-P energy: -72.576 tors. eta vs tors. theta energy: -6.242 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: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -849.401335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.401335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.401335 (E_RNA) where: Base-Base interactions energy: -350.951 where: short stacking energy: -302.202 Base-Backbone interact. energy: -0.186 local terms energy: -498.264094 where: bonds (distance) C4'-P energy: -149.133 bonds (distance) P-C4' energy: -152.264 flat angles C4'-P-C4' energy: -126.469 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: 9.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -786.121998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.121998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.121998 (E_RNA) where: Base-Base interactions energy: -316.434 where: short stacking energy: -277.718 Base-Backbone interact. energy: 4.254 local terms energy: -473.941330 where: bonds (distance) C4'-P energy: -145.226 bonds (distance) P-C4' energy: -149.550 flat angles C4'-P-C4' energy: -124.884 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: 12.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2555.052967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.052967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.052967 (E_RNA) where: Base-Base interactions energy: -1642.739 where: short stacking energy: -974.133 Base-Backbone interact. energy: -2.735 local terms energy: -909.578842 where: bonds (distance) C4'-P energy: -166.200 bonds (distance) P-C4' energy: -169.560 flat angles C4'-P-C4' energy: -206.751 flat angles P-C4'-P energy: -131.607 tors. eta vs tors. theta energy: -235.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2337.262112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.262112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.262112 (E_RNA) where: Base-Base interactions energy: -1446.437 where: short stacking energy: -897.342 Base-Backbone interact. energy: 2.987 local terms energy: -893.812165 where: bonds (distance) C4'-P energy: -171.419 bonds (distance) P-C4' energy: -174.093 flat angles C4'-P-C4' energy: -192.834 flat angles P-C4'-P energy: -134.444 tors. eta vs tors. theta energy: -221.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2165.697948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.697948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.697948 (E_RNA) where: Base-Base interactions energy: -1309.076 where: short stacking energy: -780.055 Base-Backbone interact. energy: -4.696 local terms energy: -851.925363 where: bonds (distance) C4'-P energy: -174.271 bonds (distance) P-C4' energy: -174.820 flat angles C4'-P-C4' energy: -196.489 flat angles P-C4'-P energy: -119.474 tors. eta vs tors. theta energy: -186.872 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: 229 Temperature: 1.050000 Total energy: -1985.670035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.670035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.670035 (E_RNA) where: Base-Base interactions energy: -1210.602 where: short stacking energy: -745.687 Base-Backbone interact. energy: -1.985 local terms energy: -773.082798 where: bonds (distance) C4'-P energy: -161.654 bonds (distance) P-C4' energy: -164.033 flat angles C4'-P-C4' energy: -190.723 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -159.936 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: 229 Temperature: 1.100000 Total energy: -1740.283383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.283383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.283383 (E_RNA) where: Base-Base interactions energy: -1011.841 where: short stacking energy: -648.964 Base-Backbone interact. energy: 3.735 local terms energy: -732.176440 where: bonds (distance) C4'-P energy: -171.595 bonds (distance) P-C4' energy: -155.226 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -94.906 tors. eta vs tors. theta energy: -133.725 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1207.293773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.293773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.293773 (E_RNA) where: Base-Base interactions energy: -597.194 where: short stacking energy: -463.310 Base-Backbone interact. energy: 1.610 local terms energy: -611.709743 where: bonds (distance) C4'-P energy: -154.886 bonds (distance) P-C4' energy: -156.691 flat angles C4'-P-C4' energy: -154.691 flat angles P-C4'-P energy: -106.362 tors. eta vs tors. theta energy: -39.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1098.743424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.743424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.743424 (E_RNA) where: Base-Base interactions energy: -507.881 where: short stacking energy: -439.510 Base-Backbone interact. energy: 0.815 local terms energy: -591.677622 where: bonds (distance) C4'-P energy: -160.415 bonds (distance) P-C4' energy: -155.635 flat angles C4'-P-C4' energy: -136.440 flat angles P-C4'-P energy: -91.409 tors. eta vs tors. theta energy: -47.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -960.787850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.787850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.787850 (E_RNA) where: Base-Base interactions energy: -428.767 where: short stacking energy: -366.937 Base-Backbone interact. energy: 1.499 local terms energy: -533.519747 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -161.177 flat angles C4'-P-C4' energy: -131.596 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -26.840 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: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -808.019115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.019115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.019115 (E_RNA) where: Base-Base interactions energy: -337.906 where: short stacking energy: -312.910 Base-Backbone interact. energy: 1.701 local terms energy: -471.814372 where: bonds (distance) C4'-P energy: -121.847 bonds (distance) P-C4' energy: -158.043 flat angles C4'-P-C4' energy: -108.360 flat angles P-C4'-P energy: -87.674 tors. eta vs tors. theta energy: 4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -782.056285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.056285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.056285 (E_RNA) where: Base-Base interactions energy: -291.167 where: short stacking energy: -273.741 Base-Backbone interact. energy: -1.516 local terms energy: -489.372864 where: bonds (distance) C4'-P energy: -142.677 bonds (distance) P-C4' energy: -152.828 flat angles C4'-P-C4' energy: -139.352 flat angles P-C4'-P energy: -74.313 tors. eta vs tors. theta energy: 19.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2549.928861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.928861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.928861 (E_RNA) where: Base-Base interactions energy: -1613.141 where: short stacking energy: -956.381 Base-Backbone interact. energy: -4.188 local terms energy: -932.599692 where: bonds (distance) C4'-P energy: -171.476 bonds (distance) P-C4' energy: -163.090 flat angles C4'-P-C4' energy: -210.689 flat angles P-C4'-P energy: -142.969 tors. eta vs tors. theta energy: -244.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2379.877526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.877526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.877526 (E_RNA) where: Base-Base interactions energy: -1453.598 where: short stacking energy: -886.921 Base-Backbone interact. energy: -2.192 local terms energy: -924.087071 where: bonds (distance) C4'-P energy: -176.069 bonds (distance) P-C4' energy: -194.779 flat angles C4'-P-C4' energy: -191.741 flat angles P-C4'-P energy: -146.621 tors. eta vs tors. theta energy: -214.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2135.267866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.267866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.267866 (E_RNA) where: Base-Base interactions energy: -1271.876 where: short stacking energy: -773.083 Base-Backbone interact. energy: -2.066 local terms energy: -861.325845 where: bonds (distance) C4'-P energy: -170.581 bonds (distance) P-C4' energy: -182.378 flat angles C4'-P-C4' energy: -180.845 flat angles P-C4'-P energy: -123.857 tors. eta vs tors. theta energy: -203.665 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: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1985.016181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.016181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.016181 (E_RNA) where: Base-Base interactions energy: -1223.939 where: short stacking energy: -740.929 Base-Backbone interact. energy: 1.572 local terms energy: -762.649084 where: bonds (distance) C4'-P energy: -166.410 bonds (distance) P-C4' energy: -161.158 flat angles C4'-P-C4' energy: -171.886 flat angles P-C4'-P energy: -99.336 tors. eta vs tors. theta energy: -163.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1790.670832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.670832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.670832 (E_RNA) where: Base-Base interactions energy: -1069.506 where: short stacking energy: -666.025 Base-Backbone interact. energy: 4.764 local terms energy: -725.929472 where: bonds (distance) C4'-P energy: -141.847 bonds (distance) P-C4' energy: -178.872 flat angles C4'-P-C4' energy: -164.933 flat angles P-C4'-P energy: -113.087 tors. eta vs tors. theta energy: -127.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1258.377327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.377327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.377327 (E_RNA) where: Base-Base interactions energy: -653.609 where: short stacking energy: -473.859 Base-Backbone interact. energy: -0.245 local terms energy: -604.523792 where: bonds (distance) C4'-P energy: -156.940 bonds (distance) P-C4' energy: -158.128 flat angles C4'-P-C4' energy: -145.962 flat angles P-C4'-P energy: -80.465 tors. eta vs tors. theta energy: -63.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1116.152832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.152832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.152832 (E_RNA) where: Base-Base interactions energy: -512.068 where: short stacking energy: -412.735 Base-Backbone interact. energy: 1.762 local terms energy: -605.847311 where: bonds (distance) C4'-P energy: -162.438 bonds (distance) P-C4' energy: -152.906 flat angles C4'-P-C4' energy: -161.422 flat angles P-C4'-P energy: -92.785 tors. eta vs tors. theta energy: -36.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -916.887183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.887183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.887183 (E_RNA) where: Base-Base interactions energy: -380.090 where: short stacking energy: -316.914 Base-Backbone interact. energy: 0.708 local terms energy: -537.505699 where: bonds (distance) C4'-P energy: -146.339 bonds (distance) P-C4' energy: -167.836 flat angles C4'-P-C4' energy: -132.594 flat angles P-C4'-P energy: -84.933 tors. eta vs tors. theta energy: -5.803 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: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -878.390129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.390129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.390129 (E_RNA) where: Base-Base interactions energy: -369.851 where: short stacking energy: -334.994 Base-Backbone interact. energy: 3.206 local terms energy: -511.745380 where: bonds (distance) C4'-P energy: -160.142 bonds (distance) P-C4' energy: -140.021 flat angles C4'-P-C4' energy: -138.907 flat angles P-C4'-P energy: -66.819 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -779.824152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.824152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.824152 (E_RNA) where: Base-Base interactions energy: -302.569 where: short stacking energy: -260.869 Base-Backbone interact. energy: -0.833 local terms energy: -476.422974 where: bonds (distance) C4'-P energy: -124.872 bonds (distance) P-C4' energy: -167.251 flat angles C4'-P-C4' energy: -134.884 flat angles P-C4'-P energy: -71.469 tors. eta vs tors. theta energy: 22.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2510.249146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.249146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.249146 (E_RNA) where: Base-Base interactions energy: -1557.530 where: short stacking energy: -958.804 Base-Backbone interact. energy: -5.055 local terms energy: -947.664099 where: bonds (distance) C4'-P energy: -171.193 bonds (distance) P-C4' energy: -177.278 flat angles C4'-P-C4' energy: -207.277 flat angles P-C4'-P energy: -139.032 tors. eta vs tors. theta energy: -252.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2318.827466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.827466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.827466 (E_RNA) where: Base-Base interactions energy: -1409.540 where: short stacking energy: -859.619 Base-Backbone interact. energy: -2.134 local terms energy: -907.154141 where: bonds (distance) C4'-P energy: -176.274 bonds (distance) P-C4' energy: -183.219 flat angles C4'-P-C4' energy: -208.013 flat angles P-C4'-P energy: -129.296 tors. eta vs tors. theta energy: -210.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2134.783387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.783387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.783387 (E_RNA) where: Base-Base interactions energy: -1275.316 where: short stacking energy: -792.627 Base-Backbone interact. energy: -0.262 local terms energy: -859.205636 where: bonds (distance) C4'-P energy: -156.162 bonds (distance) P-C4' energy: -183.751 flat angles C4'-P-C4' energy: -195.793 flat angles P-C4'-P energy: -129.357 tors. eta vs tors. theta energy: -194.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1935.822168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.822168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.822168 (E_RNA) where: Base-Base interactions energy: -1186.723 where: short stacking energy: -709.592 Base-Backbone interact. energy: -6.583 local terms energy: -742.516115 where: bonds (distance) C4'-P energy: -149.577 bonds (distance) P-C4' energy: -161.530 flat angles C4'-P-C4' energy: -168.633 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -153.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1802.926547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.926547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.926547 (E_RNA) where: Base-Base interactions energy: -1091.400 where: short stacking energy: -698.691 Base-Backbone interact. energy: 4.133 local terms energy: -715.659440 where: bonds (distance) C4'-P energy: -122.475 bonds (distance) P-C4' energy: -178.843 flat angles C4'-P-C4' energy: -184.973 flat angles P-C4'-P energy: -104.183 tors. eta vs tors. theta energy: -125.184 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: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1332.598391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.598391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.598391 (E_RNA) where: Base-Base interactions energy: -689.188 where: short stacking energy: -515.857 Base-Backbone interact. energy: 1.206 local terms energy: -644.615989 where: bonds (distance) C4'-P energy: -150.961 bonds (distance) P-C4' energy: -158.874 flat angles C4'-P-C4' energy: -174.681 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -78.134 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: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1067.406688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.406688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.406688 (E_RNA) where: Base-Base interactions energy: -511.069 where: short stacking energy: -382.459 Base-Backbone interact. energy: 1.647 local terms energy: -557.985217 where: bonds (distance) C4'-P energy: -155.291 bonds (distance) P-C4' energy: -164.498 flat angles C4'-P-C4' energy: -135.892 flat angles P-C4'-P energy: -78.393 tors. eta vs tors. theta energy: -23.912 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: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -943.823594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.823594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.823594 (E_RNA) where: Base-Base interactions energy: -425.363 where: short stacking energy: -378.255 Base-Backbone interact. energy: 1.375 local terms energy: -519.835396 where: bonds (distance) C4'-P energy: -143.320 bonds (distance) P-C4' energy: -169.208 flat angles C4'-P-C4' energy: -152.588 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: 4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -909.278561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.278561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.278561 (E_RNA) where: Base-Base interactions energy: -361.239 where: short stacking energy: -316.489 Base-Backbone interact. energy: -2.180 local terms energy: -545.859434 where: bonds (distance) C4'-P energy: -139.405 bonds (distance) P-C4' energy: -154.596 flat angles C4'-P-C4' energy: -156.618 flat angles P-C4'-P energy: -86.110 tors. eta vs tors. theta energy: -9.132 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: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -763.479073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.479073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.479073 (E_RNA) where: Base-Base interactions energy: -312.166 where: short stacking energy: -281.908 Base-Backbone interact. energy: -2.763 local terms energy: -448.549727 where: bonds (distance) C4'-P energy: -132.448 bonds (distance) P-C4' energy: -161.273 flat angles C4'-P-C4' energy: -117.164 flat angles P-C4'-P energy: -51.794 tors. eta vs tors. theta energy: 14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2539.281843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.281843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.281843 (E_RNA) where: Base-Base interactions energy: -1578.785 where: short stacking energy: -966.798 Base-Backbone interact. energy: -5.577 local terms energy: -954.920521 where: bonds (distance) C4'-P energy: -180.429 bonds (distance) P-C4' energy: -190.773 flat angles C4'-P-C4' energy: -213.011 flat angles P-C4'-P energy: -120.165 tors. eta vs tors. theta energy: -250.542 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: 232 Temperature: 0.950000 Total energy: -2335.349958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.349958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.349958 (E_RNA) where: Base-Base interactions energy: -1448.102 where: short stacking energy: -873.059 Base-Backbone interact. energy: -2.823 local terms energy: -884.424419 where: bonds (distance) C4'-P energy: -162.833 bonds (distance) P-C4' energy: -159.451 flat angles C4'-P-C4' energy: -208.461 flat angles P-C4'-P energy: -131.756 tors. eta vs tors. theta energy: -221.923 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: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2149.536751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.536751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.536751 (E_RNA) where: Base-Base interactions energy: -1290.719 where: short stacking energy: -824.966 Base-Backbone interact. energy: -3.503 local terms energy: -855.314093 where: bonds (distance) C4'-P energy: -175.034 bonds (distance) P-C4' energy: -172.437 flat angles C4'-P-C4' energy: -192.053 flat angles P-C4'-P energy: -117.721 tors. eta vs tors. theta energy: -198.069 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: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1925.940745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.940745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.940745 (E_RNA) where: Base-Base interactions energy: -1155.776 where: short stacking energy: -716.474 Base-Backbone interact. energy: -3.184 local terms energy: -766.980582 where: bonds (distance) C4'-P energy: -130.095 bonds (distance) P-C4' energy: -170.333 flat angles C4'-P-C4' energy: -193.982 flat angles P-C4'-P energy: -109.686 tors. eta vs tors. theta energy: -162.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1836.587624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.587624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.587624 (E_RNA) where: Base-Base interactions energy: -1092.164 where: short stacking energy: -680.477 Base-Backbone interact. energy: 3.236 local terms energy: -747.659087 where: bonds (distance) C4'-P energy: -164.198 bonds (distance) P-C4' energy: -164.766 flat angles C4'-P-C4' energy: -187.369 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -146.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1316.519440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.519440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.519440 (E_RNA) where: Base-Base interactions energy: -692.988 where: short stacking energy: -517.248 Base-Backbone interact. energy: -3.863 local terms energy: -619.669065 where: bonds (distance) C4'-P energy: -151.164 bonds (distance) P-C4' energy: -164.407 flat angles C4'-P-C4' energy: -135.435 flat angles P-C4'-P energy: -105.743 tors. eta vs tors. theta energy: -62.919 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: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1087.379443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.379443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.379443 (E_RNA) where: Base-Base interactions energy: -513.918 where: short stacking energy: -427.806 Base-Backbone interact. energy: 1.777 local terms energy: -575.239065 where: bonds (distance) C4'-P energy: -170.230 bonds (distance) P-C4' energy: -143.692 flat angles C4'-P-C4' energy: -149.864 flat angles P-C4'-P energy: -62.117 tors. eta vs tors. theta energy: -49.336 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: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -915.386931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.386931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.386931 (E_RNA) where: Base-Base interactions energy: -384.207 where: short stacking energy: -352.924 Base-Backbone interact. energy: -0.158 local terms energy: -531.021485 where: bonds (distance) C4'-P energy: -145.832 bonds (distance) P-C4' energy: -152.875 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -88.519 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -829.602495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.602495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.602495 (E_RNA) where: Base-Base interactions energy: -364.685 where: short stacking energy: -304.126 Base-Backbone interact. energy: -2.427 local terms energy: -462.490407 where: bonds (distance) C4'-P energy: -122.882 bonds (distance) P-C4' energy: -135.633 flat angles C4'-P-C4' energy: -120.706 flat angles P-C4'-P energy: -89.604 tors. eta vs tors. theta energy: 6.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -782.462716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.462716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.462716 (E_RNA) where: Base-Base interactions energy: -324.325 where: short stacking energy: -277.257 Base-Backbone interact. energy: 1.380 local terms energy: -459.517538 where: bonds (distance) C4'-P energy: -143.169 bonds (distance) P-C4' energy: -127.983 flat angles C4'-P-C4' energy: -128.873 flat angles P-C4'-P energy: -67.393 tors. eta vs tors. theta energy: 7.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2538.748071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.748071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.748071 (E_RNA) where: Base-Base interactions energy: -1563.734 where: short stacking energy: -965.205 Base-Backbone interact. energy: -5.681 local terms energy: -969.332380 where: bonds (distance) C4'-P energy: -186.960 bonds (distance) P-C4' energy: -184.080 flat angles C4'-P-C4' energy: -214.328 flat angles P-C4'-P energy: -130.069 tors. eta vs tors. theta energy: -253.896 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: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2367.928226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.928226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.928226 (E_RNA) where: Base-Base interactions energy: -1473.128 where: short stacking energy: -894.587 Base-Backbone interact. energy: 2.083 local terms energy: -896.883234 where: bonds (distance) C4'-P energy: -161.194 bonds (distance) P-C4' energy: -187.537 flat angles C4'-P-C4' energy: -205.480 flat angles P-C4'-P energy: -118.547 tors. eta vs tors. theta energy: -224.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2106.415867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.415867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.415867 (E_RNA) where: Base-Base interactions energy: -1301.513 where: short stacking energy: -794.664 Base-Backbone interact. energy: -0.724 local terms energy: -804.178679 where: bonds (distance) C4'-P energy: -158.983 bonds (distance) P-C4' energy: -163.344 flat angles C4'-P-C4' energy: -182.310 flat angles P-C4'-P energy: -116.073 tors. eta vs tors. theta energy: -183.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1942.528470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.528470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.528470 (E_RNA) where: Base-Base interactions energy: -1149.983 where: short stacking energy: -755.028 Base-Backbone interact. energy: 0.577 local terms energy: -793.122291 where: bonds (distance) C4'-P energy: -175.070 bonds (distance) P-C4' energy: -178.216 flat angles C4'-P-C4' energy: -187.637 flat angles P-C4'-P energy: -87.662 tors. eta vs tors. theta energy: -164.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1769.487400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.487400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.487400 (E_RNA) where: Base-Base interactions energy: -1020.269 where: short stacking energy: -647.147 Base-Backbone interact. energy: -1.122 local terms energy: -748.096909 where: bonds (distance) C4'-P energy: -162.037 bonds (distance) P-C4' energy: -178.705 flat angles C4'-P-C4' energy: -179.195 flat angles P-C4'-P energy: -109.470 tors. eta vs tors. theta energy: -118.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1294.363600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.363600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.363600 (E_RNA) where: Base-Base interactions energy: -664.148 where: short stacking energy: -476.598 Base-Backbone interact. energy: 1.427 local terms energy: -631.641847 where: bonds (distance) C4'-P energy: -180.896 bonds (distance) P-C4' energy: -167.619 flat angles C4'-P-C4' energy: -150.557 flat angles P-C4'-P energy: -93.648 tors. eta vs tors. theta energy: -38.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1056.373725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.373725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.373725 (E_RNA) where: Base-Base interactions energy: -469.899 where: short stacking energy: -380.247 Base-Backbone interact. energy: 0.412 local terms energy: -586.887031 where: bonds (distance) C4'-P energy: -149.561 bonds (distance) P-C4' energy: -158.389 flat angles C4'-P-C4' energy: -151.154 flat angles P-C4'-P energy: -101.354 tors. eta vs tors. theta energy: -26.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -900.602174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.602174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.602174 (E_RNA) where: Base-Base interactions energy: -386.987 where: short stacking energy: -286.801 Base-Backbone interact. energy: -3.893 local terms energy: -509.721652 where: bonds (distance) C4'-P energy: -149.599 bonds (distance) P-C4' energy: -147.720 flat angles C4'-P-C4' energy: -128.110 flat angles P-C4'-P energy: -96.927 tors. eta vs tors. theta energy: 12.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -874.746100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.746100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.746100 (E_RNA) where: Base-Base interactions energy: -367.184 where: short stacking energy: -328.661 Base-Backbone interact. energy: 0.740 local terms energy: -508.302260 where: bonds (distance) C4'-P energy: -146.801 bonds (distance) P-C4' energy: -154.018 flat angles C4'-P-C4' energy: -121.698 flat angles P-C4'-P energy: -81.518 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -811.367414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.367414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.367414 (E_RNA) where: Base-Base interactions energy: -314.494 where: short stacking energy: -281.102 Base-Backbone interact. energy: -2.534 local terms energy: -494.340019 where: bonds (distance) C4'-P energy: -154.016 bonds (distance) P-C4' energy: -147.683 flat angles C4'-P-C4' energy: -132.759 flat angles P-C4'-P energy: -66.345 tors. eta vs tors. theta energy: 6.463 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2553.900998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.900998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.900998 (E_RNA) where: Base-Base interactions energy: -1566.550 where: short stacking energy: -955.869 Base-Backbone interact. energy: -3.969 local terms energy: -983.382710 where: bonds (distance) C4'-P energy: -180.816 bonds (distance) P-C4' energy: -184.391 flat angles C4'-P-C4' energy: -209.694 flat angles P-C4'-P energy: -150.990 tors. eta vs tors. theta energy: -257.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2402.576306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.576306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.576306 (E_RNA) where: Base-Base interactions energy: -1456.848 where: short stacking energy: -910.206 Base-Backbone interact. energy: -5.616 local terms energy: -940.113171 where: bonds (distance) C4'-P energy: -174.687 bonds (distance) P-C4' energy: -184.158 flat angles C4'-P-C4' energy: -202.452 flat angles P-C4'-P energy: -145.222 tors. eta vs tors. theta energy: -233.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2086.171567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.171567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.171567 (E_RNA) where: Base-Base interactions energy: -1266.879 where: short stacking energy: -815.952 Base-Backbone interact. energy: 0.518 local terms energy: -819.811082 where: bonds (distance) C4'-P energy: -163.627 bonds (distance) P-C4' energy: -166.597 flat angles C4'-P-C4' energy: -187.269 flat angles P-C4'-P energy: -130.759 tors. eta vs tors. theta energy: -171.559 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: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1955.932794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.932794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.932794 (E_RNA) where: Base-Base interactions energy: -1157.209 where: short stacking energy: -693.182 Base-Backbone interact. energy: -3.799 local terms energy: -794.925006 where: bonds (distance) C4'-P energy: -161.802 bonds (distance) P-C4' energy: -196.332 flat angles C4'-P-C4' energy: -180.870 flat angles P-C4'-P energy: -112.745 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: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1844.126104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.126104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.126104 (E_RNA) where: Base-Base interactions energy: -1111.711 where: short stacking energy: -690.314 Base-Backbone interact. energy: -2.900 local terms energy: -729.515049 where: bonds (distance) C4'-P energy: -156.527 bonds (distance) P-C4' energy: -150.096 flat angles C4'-P-C4' energy: -180.983 flat angles P-C4'-P energy: -94.917 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: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1376.843246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.843246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.843246 (E_RNA) where: Base-Base interactions energy: -710.534 where: short stacking energy: -505.128 Base-Backbone interact. energy: 11.744 local terms energy: -678.053915 where: bonds (distance) C4'-P energy: -164.536 bonds (distance) P-C4' energy: -158.415 flat angles C4'-P-C4' energy: -159.836 flat angles P-C4'-P energy: -112.058 tors. eta vs tors. theta energy: -83.209 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: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1082.664880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.664880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.664880 (E_RNA) where: Base-Base interactions energy: -489.870 where: short stacking energy: -368.686 Base-Backbone interact. energy: -4.514 local terms energy: -588.280859 where: bonds (distance) C4'-P energy: -161.223 bonds (distance) P-C4' energy: -159.266 flat angles C4'-P-C4' energy: -150.237 flat angles P-C4'-P energy: -95.442 tors. eta vs tors. theta energy: -22.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -923.300053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.300053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.300053 (E_RNA) where: Base-Base interactions energy: -381.161 where: short stacking energy: -327.505 Base-Backbone interact. energy: -1.919 local terms energy: -540.220327 where: bonds (distance) C4'-P energy: -152.421 bonds (distance) P-C4' energy: -162.998 flat angles C4'-P-C4' energy: -142.651 flat angles P-C4'-P energy: -75.906 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -842.804013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.804013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.804013 (E_RNA) where: Base-Base interactions energy: -293.259 where: short stacking energy: -264.957 Base-Backbone interact. energy: -0.519 local terms energy: -549.025765 where: bonds (distance) C4'-P energy: -157.052 bonds (distance) P-C4' energy: -173.088 flat angles C4'-P-C4' energy: -154.615 flat angles P-C4'-P energy: -72.270 tors. eta vs tors. theta energy: 7.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -749.587474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.587474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.587474 (E_RNA) where: Base-Base interactions energy: -268.355 where: short stacking energy: -253.065 Base-Backbone interact. energy: 1.159 local terms energy: -482.391833 where: bonds (distance) C4'-P energy: -132.564 bonds (distance) P-C4' energy: -133.961 flat angles C4'-P-C4' energy: -145.052 flat angles P-C4'-P energy: -98.236 tors. eta vs tors. theta energy: 27.422 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: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2554.513356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.513356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.513356 (E_RNA) where: Base-Base interactions energy: -1611.596 where: short stacking energy: -964.632 Base-Backbone interact. energy: -1.670 local terms energy: -941.247089 where: bonds (distance) C4'-P energy: -158.276 bonds (distance) P-C4' energy: -174.430 flat angles C4'-P-C4' energy: -208.666 flat angles P-C4'-P energy: -153.281 tors. eta vs tors. theta energy: -246.594 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: 235 Temperature: 0.950000 Total energy: -2376.284416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.284416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.284416 (E_RNA) where: Base-Base interactions energy: -1470.859 where: short stacking energy: -911.490 Base-Backbone interact. energy: 0.967 local terms energy: -906.392443 where: bonds (distance) C4'-P energy: -169.058 bonds (distance) P-C4' energy: -189.191 flat angles C4'-P-C4' energy: -194.926 flat angles P-C4'-P energy: -134.641 tors. eta vs tors. theta energy: -218.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2109.337972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.337972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.337972 (E_RNA) where: Base-Base interactions energy: -1277.961 where: short stacking energy: -815.102 Base-Backbone interact. energy: -2.194 local terms energy: -829.183119 where: bonds (distance) C4'-P energy: -164.912 bonds (distance) P-C4' energy: -174.783 flat angles C4'-P-C4' energy: -179.472 flat angles P-C4'-P energy: -121.613 tors. eta vs tors. theta energy: -188.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1930.572055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.572055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.572055 (E_RNA) where: Base-Base interactions energy: -1156.561 where: short stacking energy: -673.482 Base-Backbone interact. energy: -3.142 local terms energy: -770.869735 where: bonds (distance) C4'-P energy: -147.019 bonds (distance) P-C4' energy: -177.668 flat angles C4'-P-C4' energy: -180.736 flat angles P-C4'-P energy: -111.381 tors. eta vs tors. theta energy: -154.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1811.664222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.664222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.664222 (E_RNA) where: Base-Base interactions energy: -1057.186 where: short stacking energy: -634.292 Base-Backbone interact. energy: -3.067 local terms energy: -751.411456 where: bonds (distance) C4'-P energy: -156.670 bonds (distance) P-C4' energy: -168.293 flat angles C4'-P-C4' energy: -171.635 flat angles P-C4'-P energy: -125.181 tors. eta vs tors. theta energy: -129.632 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: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1293.695168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.695168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.695168 (E_RNA) where: Base-Base interactions energy: -660.518 where: short stacking energy: -493.031 Base-Backbone interact. energy: 1.593 local terms energy: -634.770307 where: bonds (distance) C4'-P energy: -148.340 bonds (distance) P-C4' energy: -166.767 flat angles C4'-P-C4' energy: -167.590 flat angles P-C4'-P energy: -101.200 tors. eta vs tors. theta energy: -50.873 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: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1106.036491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.036491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.036491 (E_RNA) where: Base-Base interactions energy: -584.841 where: short stacking energy: -461.657 Base-Backbone interact. energy: -0.875 local terms energy: -520.320559 where: bonds (distance) C4'-P energy: -124.829 bonds (distance) P-C4' energy: -152.808 flat angles C4'-P-C4' energy: -131.118 flat angles P-C4'-P energy: -76.365 tors. eta vs tors. theta energy: -35.200 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: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -910.407885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.407885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.407885 (E_RNA) where: Base-Base interactions energy: -387.261 where: short stacking energy: -315.515 Base-Backbone interact. energy: 0.550 local terms energy: -523.697187 where: bonds (distance) C4'-P energy: -157.522 bonds (distance) P-C4' energy: -153.130 flat angles C4'-P-C4' energy: -128.613 flat angles P-C4'-P energy: -77.752 tors. eta vs tors. theta energy: -6.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -876.601748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.601748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.601748 (E_RNA) where: Base-Base interactions energy: -376.453 where: short stacking energy: -333.617 Base-Backbone interact. energy: 1.992 local terms energy: -502.140953 where: bonds (distance) C4'-P energy: -119.245 bonds (distance) P-C4' energy: -156.954 flat angles C4'-P-C4' energy: -114.379 flat angles P-C4'-P energy: -79.128 tors. eta vs tors. theta energy: -32.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -764.947450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.947450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.947450 (E_RNA) where: Base-Base interactions energy: -280.547 where: short stacking energy: -261.946 Base-Backbone interact. energy: -0.780 local terms energy: -483.620635 where: bonds (distance) C4'-P energy: -133.362 bonds (distance) P-C4' energy: -144.817 flat angles C4'-P-C4' energy: -146.073 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: 15.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2545.721871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.721871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.721871 (E_RNA) where: Base-Base interactions energy: -1578.466 where: short stacking energy: -925.618 Base-Backbone interact. energy: -5.735 local terms energy: -961.520747 where: bonds (distance) C4'-P energy: -186.212 bonds (distance) P-C4' energy: -193.871 flat angles C4'-P-C4' energy: -202.311 flat angles P-C4'-P energy: -145.045 tors. eta vs tors. theta energy: -234.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2335.227354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.227354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.227354 (E_RNA) where: Base-Base interactions energy: -1448.570 where: short stacking energy: -899.729 Base-Backbone interact. energy: -0.774 local terms energy: -885.883627 where: bonds (distance) C4'-P energy: -171.487 bonds (distance) P-C4' energy: -182.891 flat angles C4'-P-C4' energy: -199.100 flat angles P-C4'-P energy: -117.867 tors. eta vs tors. theta energy: -214.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2100.499365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.499365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.499365 (E_RNA) where: Base-Base interactions energy: -1262.462 where: short stacking energy: -799.416 Base-Backbone interact. energy: -2.917 local terms energy: -835.119704 where: bonds (distance) C4'-P energy: -168.377 bonds (distance) P-C4' energy: -186.863 flat angles C4'-P-C4' energy: -179.665 flat angles P-C4'-P energy: -106.757 tors. eta vs tors. theta energy: -193.457 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1913.958492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.958492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.958492 (E_RNA) where: Base-Base interactions energy: -1123.988 where: short stacking energy: -698.510 Base-Backbone interact. energy: 1.483 local terms energy: -791.454185 where: bonds (distance) C4'-P energy: -181.884 bonds (distance) P-C4' energy: -191.070 flat angles C4'-P-C4' energy: -168.871 flat angles P-C4'-P energy: -98.194 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: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1809.570873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.570873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.570873 (E_RNA) where: Base-Base interactions energy: -1065.731 where: short stacking energy: -659.354 Base-Backbone interact. energy: 1.725 local terms energy: -745.565330 where: bonds (distance) C4'-P energy: -167.289 bonds (distance) P-C4' energy: -159.973 flat angles C4'-P-C4' energy: -182.481 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -141.333 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: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1339.684060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.684060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.684060 (E_RNA) where: Base-Base interactions energy: -710.190 where: short stacking energy: -485.844 Base-Backbone interact. energy: -6.239 local terms energy: -623.254484 where: bonds (distance) C4'-P energy: -158.557 bonds (distance) P-C4' energy: -172.816 flat angles C4'-P-C4' energy: -148.372 flat angles P-C4'-P energy: -89.119 tors. eta vs tors. theta energy: -54.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1187.993058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.993058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.993058 (E_RNA) where: Base-Base interactions energy: -569.094 where: short stacking energy: -442.505 Base-Backbone interact. energy: 0.129 local terms energy: -619.027754 where: bonds (distance) C4'-P energy: -136.295 bonds (distance) P-C4' energy: -172.986 flat angles C4'-P-C4' energy: -165.281 flat angles P-C4'-P energy: -102.714 tors. eta vs tors. theta energy: -41.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -888.628597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.628597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.628597 (E_RNA) where: Base-Base interactions energy: -375.158 where: short stacking energy: -344.152 Base-Backbone interact. energy: 8.192 local terms energy: -521.662433 where: bonds (distance) C4'-P energy: -119.434 bonds (distance) P-C4' energy: -185.939 flat angles C4'-P-C4' energy: -135.809 flat angles P-C4'-P energy: -72.629 tors. eta vs tors. theta energy: -7.852 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: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -823.886307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.886307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.886307 (E_RNA) where: Base-Base interactions energy: -351.720 where: short stacking energy: -305.503 Base-Backbone interact. energy: 1.861 local terms energy: -474.027593 where: bonds (distance) C4'-P energy: -144.590 bonds (distance) P-C4' energy: -134.250 flat angles C4'-P-C4' energy: -121.602 flat angles P-C4'-P energy: -79.605 tors. eta vs tors. theta energy: 6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -808.500040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.500040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.500040 (E_RNA) where: Base-Base interactions energy: -323.207 where: short stacking energy: -268.797 Base-Backbone interact. energy: -0.086 local terms energy: -485.206431 where: bonds (distance) C4'-P energy: -143.500 bonds (distance) P-C4' energy: -138.696 flat angles C4'-P-C4' energy: -115.350 flat angles P-C4'-P energy: -101.493 tors. eta vs tors. theta energy: 13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2559.356311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.356311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.356311 (E_RNA) where: Base-Base interactions energy: -1614.494 where: short stacking energy: -1008.386 Base-Backbone interact. energy: -5.605 local terms energy: -939.257666 where: bonds (distance) C4'-P energy: -166.024 bonds (distance) P-C4' energy: -178.105 flat angles C4'-P-C4' energy: -205.051 flat angles P-C4'-P energy: -131.504 tors. eta vs tors. theta energy: -258.574 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: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2295.475968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.475968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.475968 (E_RNA) where: Base-Base interactions energy: -1403.879 where: short stacking energy: -836.070 Base-Backbone interact. energy: -0.773 local terms energy: -890.824432 where: bonds (distance) C4'-P energy: -182.683 bonds (distance) P-C4' energy: -182.368 flat angles C4'-P-C4' energy: -196.611 flat angles P-C4'-P energy: -129.041 tors. eta vs tors. theta energy: -200.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2094.765616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.765616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.765616 (E_RNA) where: Base-Base interactions energy: -1268.800 where: short stacking energy: -800.726 Base-Backbone interact. energy: 2.987 local terms energy: -828.952808 where: bonds (distance) C4'-P energy: -167.697 bonds (distance) P-C4' energy: -184.201 flat angles C4'-P-C4' energy: -186.647 flat angles P-C4'-P energy: -116.238 tors. eta vs tors. theta energy: -174.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1920.997167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.997167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.997167 (E_RNA) where: Base-Base interactions energy: -1153.911 where: short stacking energy: -728.848 Base-Backbone interact. energy: -3.460 local terms energy: -763.625512 where: bonds (distance) C4'-P energy: -160.957 bonds (distance) P-C4' energy: -188.024 flat angles C4'-P-C4' energy: -158.735 flat angles P-C4'-P energy: -98.913 tors. eta vs tors. theta energy: -156.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1763.655600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.655600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.655600 (E_RNA) where: Base-Base interactions energy: -1033.903 where: short stacking energy: -636.171 Base-Backbone interact. energy: -0.807 local terms energy: -728.945148 where: bonds (distance) C4'-P energy: -157.415 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -172.741 flat angles P-C4'-P energy: -110.807 tors. eta vs tors. theta energy: -124.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1308.400323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.400323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.400323 (E_RNA) where: Base-Base interactions energy: -697.166 where: short stacking energy: -519.675 Base-Backbone interact. energy: 5.760 local terms energy: -616.994437 where: bonds (distance) C4'-P energy: -139.544 bonds (distance) P-C4' energy: -174.083 flat angles C4'-P-C4' energy: -148.896 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -72.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1131.622058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.622058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.622058 (E_RNA) where: Base-Base interactions energy: -561.225 where: short stacking energy: -430.258 Base-Backbone interact. energy: -1.430 local terms energy: -568.967258 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -166.186 flat angles C4'-P-C4' energy: -147.274 flat angles P-C4'-P energy: -78.363 tors. eta vs tors. theta energy: -34.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -954.790706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.790706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.790706 (E_RNA) where: Base-Base interactions energy: -423.310 where: short stacking energy: -380.181 Base-Backbone interact. energy: -0.464 local terms energy: -531.016635 where: bonds (distance) C4'-P energy: -132.302 bonds (distance) P-C4' energy: -134.065 flat angles C4'-P-C4' energy: -145.589 flat angles P-C4'-P energy: -85.958 tors. eta vs tors. theta energy: -33.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -840.204743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.204743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.204743 (E_RNA) where: Base-Base interactions energy: -385.884 where: short stacking energy: -292.344 Base-Backbone interact. energy: 6.600 local terms energy: -460.921069 where: bonds (distance) C4'-P energy: -139.515 bonds (distance) P-C4' energy: -146.913 flat angles C4'-P-C4' energy: -127.425 flat angles P-C4'-P energy: -64.502 tors. eta vs tors. theta energy: 17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -783.689264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.689264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.689264 (E_RNA) where: Base-Base interactions energy: -329.059 where: short stacking energy: -263.737 Base-Backbone interact. energy: -0.993 local terms energy: -453.636659 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -139.856 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: 24.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2579.467746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.467746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.467746 (E_RNA) where: Base-Base interactions energy: -1611.749 where: short stacking energy: -952.680 Base-Backbone interact. energy: -3.877 local terms energy: -963.841531 where: bonds (distance) C4'-P energy: -185.711 bonds (distance) P-C4' energy: -186.132 flat angles C4'-P-C4' energy: -209.764 flat angles P-C4'-P energy: -145.337 tors. eta vs tors. theta energy: -236.896 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: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2296.140362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.140362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.140362 (E_RNA) where: Base-Base interactions energy: -1422.678 where: short stacking energy: -851.178 Base-Backbone interact. energy: 1.171 local terms energy: -874.633058 where: bonds (distance) C4'-P energy: -161.109 bonds (distance) P-C4' energy: -179.552 flat angles C4'-P-C4' energy: -206.115 flat angles P-C4'-P energy: -126.061 tors. eta vs tors. theta energy: -201.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2112.302133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.302133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.302133 (E_RNA) where: Base-Base interactions energy: -1270.113 where: short stacking energy: -766.400 Base-Backbone interact. energy: -3.146 local terms energy: -839.043994 where: bonds (distance) C4'-P energy: -170.956 bonds (distance) P-C4' energy: -175.344 flat angles C4'-P-C4' energy: -201.275 flat angles P-C4'-P energy: -106.904 tors. eta vs tors. theta energy: -184.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1990.949965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.949965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.949965 (E_RNA) where: Base-Base interactions energy: -1183.570 where: short stacking energy: -726.904 Base-Backbone interact. energy: -0.445 local terms energy: -806.935035 where: bonds (distance) C4'-P energy: -153.486 bonds (distance) P-C4' energy: -183.896 flat angles C4'-P-C4' energy: -174.502 flat angles P-C4'-P energy: -122.513 tors. eta vs tors. theta energy: -172.538 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1806.191474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.191474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.191474 (E_RNA) where: Base-Base interactions energy: -1054.002 where: short stacking energy: -660.210 Base-Backbone interact. energy: -5.041 local terms energy: -747.148498 where: bonds (distance) C4'-P energy: -140.309 bonds (distance) P-C4' energy: -186.336 flat angles C4'-P-C4' energy: -176.272 flat angles P-C4'-P energy: -108.518 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: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1335.021850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.021850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.021850 (E_RNA) where: Base-Base interactions energy: -685.181 where: short stacking energy: -477.157 Base-Backbone interact. energy: -2.321 local terms energy: -647.519404 where: bonds (distance) C4'-P energy: -159.640 bonds (distance) P-C4' energy: -165.359 flat angles C4'-P-C4' energy: -159.161 flat angles P-C4'-P energy: -110.551 tors. eta vs tors. theta energy: -52.808 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: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1080.357975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.357975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.357975 (E_RNA) where: Base-Base interactions energy: -522.359 where: short stacking energy: -400.486 Base-Backbone interact. energy: 5.574 local terms energy: -563.572424 where: bonds (distance) C4'-P energy: -130.766 bonds (distance) P-C4' energy: -175.784 flat angles C4'-P-C4' energy: -149.740 flat angles P-C4'-P energy: -83.551 tors. eta vs tors. theta energy: -23.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -927.336339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.336339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.336339 (E_RNA) where: Base-Base interactions energy: -387.356 where: short stacking energy: -345.169 Base-Backbone interact. energy: -3.219 local terms energy: -536.761446 where: bonds (distance) C4'-P energy: -166.264 bonds (distance) P-C4' energy: -142.589 flat angles C4'-P-C4' energy: -125.091 flat angles P-C4'-P energy: -86.210 tors. eta vs tors. theta energy: -16.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -865.185715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.185715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.185715 (E_RNA) where: Base-Base interactions energy: -375.071 where: short stacking energy: -327.414 Base-Backbone interact. energy: -0.844 local terms energy: -489.270406 where: bonds (distance) C4'-P energy: -147.479 bonds (distance) P-C4' energy: -165.815 flat angles C4'-P-C4' energy: -138.086 flat angles P-C4'-P energy: -50.607 tors. eta vs tors. theta energy: 12.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -746.607976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.607976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.607976 (E_RNA) where: Base-Base interactions energy: -301.048 where: short stacking energy: -278.604 Base-Backbone interact. energy: -4.447 local terms energy: -441.112821 where: bonds (distance) C4'-P energy: -135.878 bonds (distance) P-C4' energy: -137.974 flat angles C4'-P-C4' energy: -124.094 flat angles P-C4'-P energy: -53.369 tors. eta vs tors. theta energy: 10.203 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: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2550.362099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.362099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.362099 (E_RNA) where: Base-Base interactions energy: -1596.096 where: short stacking energy: -977.319 Base-Backbone interact. energy: -3.997 local terms energy: -950.268567 where: bonds (distance) C4'-P energy: -161.835 bonds (distance) P-C4' energy: -195.361 flat angles C4'-P-C4' energy: -206.784 flat angles P-C4'-P energy: -129.704 tors. eta vs tors. theta energy: -256.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2380.074537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.074537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.074537 (E_RNA) where: Base-Base interactions energy: -1455.731 where: short stacking energy: -925.112 Base-Backbone interact. energy: -3.585 local terms energy: -920.759385 where: bonds (distance) C4'-P energy: -151.699 bonds (distance) P-C4' energy: -194.945 flat angles C4'-P-C4' energy: -201.391 flat angles P-C4'-P energy: -136.496 tors. eta vs tors. theta energy: -236.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2119.421763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.421763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.421763 (E_RNA) where: Base-Base interactions energy: -1270.298 where: short stacking energy: -757.030 Base-Backbone interact. energy: -3.593 local terms energy: -845.531105 where: bonds (distance) C4'-P energy: -177.456 bonds (distance) P-C4' energy: -180.977 flat angles C4'-P-C4' energy: -187.503 flat angles P-C4'-P energy: -126.655 tors. eta vs tors. theta energy: -172.940 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: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1966.601980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.601980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.601980 (E_RNA) where: Base-Base interactions energy: -1201.409 where: short stacking energy: -757.396 Base-Backbone interact. energy: 4.630 local terms energy: -769.823732 where: bonds (distance) C4'-P energy: -150.881 bonds (distance) P-C4' energy: -171.956 flat angles C4'-P-C4' energy: -181.358 flat angles P-C4'-P energy: -97.134 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: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1781.037240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.037240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.037240 (E_RNA) where: Base-Base interactions energy: -1067.273 where: short stacking energy: -662.953 Base-Backbone interact. energy: -4.749 local terms energy: -709.015373 where: bonds (distance) C4'-P energy: -144.805 bonds (distance) P-C4' energy: -156.003 flat angles C4'-P-C4' energy: -165.789 flat angles P-C4'-P energy: -112.631 tors. eta vs tors. theta energy: -129.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1311.976109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.976109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.976109 (E_RNA) where: Base-Base interactions energy: -653.834 where: short stacking energy: -479.078 Base-Backbone interact. energy: -2.938 local terms energy: -655.203963 where: bonds (distance) C4'-P energy: -167.380 bonds (distance) P-C4' energy: -181.397 flat angles C4'-P-C4' energy: -157.811 flat angles P-C4'-P energy: -79.361 tors. eta vs tors. theta energy: -69.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1090.028680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.028680 (E_RNA) where: Base-Base interactions energy: -502.754 where: short stacking energy: -398.126 Base-Backbone interact. energy: -4.057 local terms energy: -583.217809 where: bonds (distance) C4'-P energy: -131.825 bonds (distance) P-C4' energy: -152.187 flat angles C4'-P-C4' energy: -158.359 flat angles P-C4'-P energy: -101.264 tors. eta vs tors. theta energy: -39.581 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: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -978.709913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.709913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.709913 (E_RNA) where: Base-Base interactions energy: -409.592 where: short stacking energy: -362.856 Base-Backbone interact. energy: -0.474 local terms energy: -568.643683 where: bonds (distance) C4'-P energy: -139.281 bonds (distance) P-C4' energy: -165.788 flat angles C4'-P-C4' energy: -147.475 flat angles P-C4'-P energy: -85.878 tors. eta vs tors. theta energy: -30.222 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: 239 Temperature: 1.300000 Total energy: -855.070009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.070009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.070009 (E_RNA) where: Base-Base interactions energy: -372.220 where: short stacking energy: -306.373 Base-Backbone interact. energy: 5.421 local terms energy: -488.270641 where: bonds (distance) C4'-P energy: -132.678 bonds (distance) P-C4' energy: -151.599 flat angles C4'-P-C4' energy: -137.134 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -884.674323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.674323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.674323 (E_RNA) where: Base-Base interactions energy: -415.561 where: short stacking energy: -346.037 Base-Backbone interact. energy: -1.439 local terms energy: -467.674646 where: bonds (distance) C4'-P energy: -135.956 bonds (distance) P-C4' energy: -130.929 flat angles C4'-P-C4' energy: -132.564 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -16.372 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: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2604.189132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.189132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.189132 (E_RNA) where: Base-Base interactions energy: -1622.845 where: short stacking energy: -986.460 Base-Backbone interact. energy: -2.186 local terms energy: -979.157483 where: bonds (distance) C4'-P energy: -185.637 bonds (distance) P-C4' energy: -173.822 flat angles C4'-P-C4' energy: -217.649 flat angles P-C4'-P energy: -131.435 tors. eta vs tors. theta energy: -270.616 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: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2368.174245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.174245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.174245 (E_RNA) where: Base-Base interactions energy: -1454.742 where: short stacking energy: -905.649 Base-Backbone interact. energy: -3.039 local terms energy: -910.392570 where: bonds (distance) C4'-P energy: -152.960 bonds (distance) P-C4' energy: -175.579 flat angles C4'-P-C4' energy: -205.827 flat angles P-C4'-P energy: -140.860 tors. eta vs tors. theta energy: -235.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2044.047521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.047521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.047521 (E_RNA) where: Base-Base interactions energy: -1214.085 where: short stacking energy: -750.314 Base-Backbone interact. energy: -5.230 local terms energy: -824.731980 where: bonds (distance) C4'-P energy: -171.198 bonds (distance) P-C4' energy: -171.715 flat angles C4'-P-C4' energy: -199.151 flat angles P-C4'-P energy: -123.267 tors. eta vs tors. theta energy: -159.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1912.572436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.572436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.572436 (E_RNA) where: Base-Base interactions energy: -1133.085 where: short stacking energy: -695.738 Base-Backbone interact. energy: -1.067 local terms energy: -778.419634 where: bonds (distance) C4'-P energy: -159.121 bonds (distance) P-C4' energy: -166.613 flat angles C4'-P-C4' energy: -179.666 flat angles P-C4'-P energy: -109.657 tors. eta vs tors. theta energy: -163.362 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: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1819.151890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.151890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.151890 (E_RNA) where: Base-Base interactions energy: -1058.275 where: short stacking energy: -671.375 Base-Backbone interact. energy: 4.870 local terms energy: -765.746831 where: bonds (distance) C4'-P energy: -154.808 bonds (distance) P-C4' energy: -165.556 flat angles C4'-P-C4' energy: -193.385 flat angles P-C4'-P energy: -117.528 tors. eta vs tors. theta energy: -134.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1321.499879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.499879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.499879 (E_RNA) where: Base-Base interactions energy: -680.256 where: short stacking energy: -485.355 Base-Backbone interact. energy: -5.466 local terms energy: -635.778714 where: bonds (distance) C4'-P energy: -157.318 bonds (distance) P-C4' energy: -165.765 flat angles C4'-P-C4' energy: -160.315 flat angles P-C4'-P energy: -93.364 tors. eta vs tors. theta energy: -59.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1067.143043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.143043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.143043 (E_RNA) where: Base-Base interactions energy: -478.238 where: short stacking energy: -380.934 Base-Backbone interact. energy: -2.844 local terms energy: -586.061408 where: bonds (distance) C4'-P energy: -142.701 bonds (distance) P-C4' energy: -164.488 flat angles C4'-P-C4' energy: -167.496 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -22.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -931.738422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.738422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.738422 (E_RNA) where: Base-Base interactions energy: -374.614 where: short stacking energy: -326.186 Base-Backbone interact. energy: 5.021 local terms energy: -562.144889 where: bonds (distance) C4'-P energy: -167.356 bonds (distance) P-C4' energy: -163.127 flat angles C4'-P-C4' energy: -143.762 flat angles P-C4'-P energy: -84.997 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -832.764039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.764039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.764039 (E_RNA) where: Base-Base interactions energy: -331.507 where: short stacking energy: -277.563 Base-Backbone interact. energy: -4.146 local terms energy: -497.110988 where: bonds (distance) C4'-P energy: -128.468 bonds (distance) P-C4' energy: -149.146 flat angles C4'-P-C4' energy: -156.297 flat angles P-C4'-P energy: -69.276 tors. eta vs tors. theta energy: 6.075 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -788.737197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.737197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.737197 (E_RNA) where: Base-Base interactions energy: -313.270 where: short stacking energy: -297.205 Base-Backbone interact. energy: -0.240 local terms energy: -475.227351 where: bonds (distance) C4'-P energy: -124.419 bonds (distance) P-C4' energy: -152.741 flat angles C4'-P-C4' energy: -118.128 flat angles P-C4'-P energy: -76.684 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2569.593605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.593605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.593605 (E_RNA) where: Base-Base interactions energy: -1595.804 where: short stacking energy: -972.411 Base-Backbone interact. energy: -2.788 local terms energy: -971.002330 where: bonds (distance) C4'-P energy: -164.302 bonds (distance) P-C4' energy: -185.165 flat angles C4'-P-C4' energy: -219.432 flat angles P-C4'-P energy: -139.787 tors. eta vs tors. theta energy: -262.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2387.705367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.705367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.705367 (E_RNA) where: Base-Base interactions energy: -1491.048 where: short stacking energy: -920.623 Base-Backbone interact. energy: -0.593 local terms energy: -896.065069 where: bonds (distance) C4'-P energy: -162.801 bonds (distance) P-C4' energy: -184.508 flat angles C4'-P-C4' energy: -200.713 flat angles P-C4'-P energy: -114.333 tors. eta vs tors. theta energy: -233.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2036.048740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.048740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.048740 (E_RNA) where: Base-Base interactions energy: -1243.822 where: short stacking energy: -789.246 Base-Backbone interact. energy: -2.018 local terms energy: -790.208829 where: bonds (distance) C4'-P energy: -158.934 bonds (distance) P-C4' energy: -158.303 flat angles C4'-P-C4' energy: -181.939 flat angles P-C4'-P energy: -116.044 tors. eta vs tors. theta energy: -174.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1945.976351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.976351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.976351 (E_RNA) where: Base-Base interactions energy: -1139.653 where: short stacking energy: -701.242 Base-Backbone interact. energy: -4.641 local terms energy: -801.682216 where: bonds (distance) C4'-P energy: -166.416 bonds (distance) P-C4' energy: -165.582 flat angles C4'-P-C4' energy: -200.820 flat angles P-C4'-P energy: -114.878 tors. eta vs tors. theta energy: -153.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1733.901487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.901487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.901487 (E_RNA) where: Base-Base interactions energy: -995.616 where: short stacking energy: -631.092 Base-Backbone interact. energy: 5.780 local terms energy: -744.065989 where: bonds (distance) C4'-P energy: -175.243 bonds (distance) P-C4' energy: -165.707 flat angles C4'-P-C4' energy: -173.546 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -112.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1412.652638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.652638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.652638 (E_RNA) where: Base-Base interactions energy: -742.873 where: short stacking energy: -540.794 Base-Backbone interact. energy: -2.933 local terms energy: -666.846273 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -156.515 flat angles C4'-P-C4' energy: -173.918 flat angles P-C4'-P energy: -104.143 tors. eta vs tors. theta energy: -89.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1104.247032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.247032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.247032 (E_RNA) where: Base-Base interactions energy: -482.894 where: short stacking energy: -426.671 Base-Backbone interact. energy: 0.414 local terms energy: -621.766396 where: bonds (distance) C4'-P energy: -145.688 bonds (distance) P-C4' energy: -187.560 flat angles C4'-P-C4' energy: -150.509 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -55.762 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: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -969.536627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.536627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.536627 (E_RNA) where: Base-Base interactions energy: -433.093 where: short stacking energy: -350.578 Base-Backbone interact. energy: -1.760 local terms energy: -534.683574 where: bonds (distance) C4'-P energy: -151.642 bonds (distance) P-C4' energy: -138.244 flat angles C4'-P-C4' energy: -125.461 flat angles P-C4'-P energy: -96.778 tors. eta vs tors. theta energy: -22.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -823.248203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.248203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.248203 (E_RNA) where: Base-Base interactions energy: -313.844 where: short stacking energy: -285.917 Base-Backbone interact. energy: 1.519 local terms energy: -510.923825 where: bonds (distance) C4'-P energy: -157.403 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -149.274 flat angles P-C4'-P energy: -72.258 tors. eta vs tors. theta energy: 15.210 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: 241 Temperature: 1.350000 Total energy: -752.165382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.165382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.165382 (E_RNA) where: Base-Base interactions energy: -305.443 where: short stacking energy: -273.679 Base-Backbone interact. energy: 2.110 local terms energy: -448.832663 where: bonds (distance) C4'-P energy: -130.247 bonds (distance) P-C4' energy: -160.677 flat angles C4'-P-C4' energy: -130.917 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: 28.068 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: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2564.886569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.886569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.886569 (E_RNA) where: Base-Base interactions energy: -1597.173 where: short stacking energy: -995.316 Base-Backbone interact. energy: -2.215 local terms energy: -965.498446 where: bonds (distance) C4'-P energy: -182.718 bonds (distance) P-C4' energy: -190.400 flat angles C4'-P-C4' energy: -203.372 flat angles P-C4'-P energy: -120.959 tors. eta vs tors. theta energy: -268.049 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2396.872926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.872926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.872926 (E_RNA) where: Base-Base interactions energy: -1487.877 where: short stacking energy: -870.719 Base-Backbone interact. energy: -4.958 local terms energy: -904.037377 where: bonds (distance) C4'-P energy: -162.777 bonds (distance) P-C4' energy: -180.577 flat angles C4'-P-C4' energy: -203.044 flat angles P-C4'-P energy: -141.948 tors. eta vs tors. theta energy: -215.692 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: 242 Temperature: 1.000000 Total energy: -2077.023616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.023616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.023616 (E_RNA) where: Base-Base interactions energy: -1268.313 where: short stacking energy: -754.129 Base-Backbone interact. energy: 3.990 local terms energy: -812.700621 where: bonds (distance) C4'-P energy: -172.067 bonds (distance) P-C4' energy: -152.933 flat angles C4'-P-C4' energy: -186.638 flat angles P-C4'-P energy: -126.688 tors. eta vs tors. theta energy: -174.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1954.580483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.580483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.580483 (E_RNA) where: Base-Base interactions energy: -1191.654 where: short stacking energy: -726.499 Base-Backbone interact. energy: 1.931 local terms energy: -764.857353 where: bonds (distance) C4'-P energy: -143.623 bonds (distance) P-C4' energy: -167.928 flat angles C4'-P-C4' energy: -180.673 flat angles P-C4'-P energy: -102.358 tors. eta vs tors. theta energy: -170.275 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: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1756.321490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.321490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.321490 (E_RNA) where: Base-Base interactions energy: -1060.915 where: short stacking energy: -622.872 Base-Backbone interact. energy: 10.123 local terms energy: -705.529255 where: bonds (distance) C4'-P energy: -141.818 bonds (distance) P-C4' energy: -168.327 flat angles C4'-P-C4' energy: -153.124 flat angles P-C4'-P energy: -121.861 tors. eta vs tors. theta energy: -120.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1334.567377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.567377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.567377 (E_RNA) where: Base-Base interactions energy: -733.501 where: short stacking energy: -477.354 Base-Backbone interact. energy: -0.729 local terms energy: -600.337629 where: bonds (distance) C4'-P energy: -158.002 bonds (distance) P-C4' energy: -170.621 flat angles C4'-P-C4' energy: -141.810 flat angles P-C4'-P energy: -80.406 tors. eta vs tors. theta energy: -49.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1054.326824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.326824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.326824 (E_RNA) where: Base-Base interactions energy: -484.273 where: short stacking energy: -407.999 Base-Backbone interact. energy: 5.646 local terms energy: -575.699520 where: bonds (distance) C4'-P energy: -160.050 bonds (distance) P-C4' energy: -168.595 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -31.267 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: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -968.822201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.822201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.822201 (E_RNA) where: Base-Base interactions energy: -462.167 where: short stacking energy: -378.930 Base-Backbone interact. energy: 4.056 local terms energy: -510.711637 where: bonds (distance) C4'-P energy: -146.204 bonds (distance) P-C4' energy: -146.569 flat angles C4'-P-C4' energy: -136.137 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -837.058686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.058686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.058686 (E_RNA) where: Base-Base interactions energy: -327.116 where: short stacking energy: -273.441 Base-Backbone interact. energy: 5.882 local terms energy: -515.824272 where: bonds (distance) C4'-P energy: -139.595 bonds (distance) P-C4' energy: -175.001 flat angles C4'-P-C4' energy: -120.199 flat angles P-C4'-P energy: -83.465 tors. eta vs tors. theta energy: 2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -785.237797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.237797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.237797 (E_RNA) where: Base-Base interactions energy: -311.668 where: short stacking energy: -262.593 Base-Backbone interact. energy: -1.172 local terms energy: -472.398330 where: bonds (distance) C4'-P energy: -128.577 bonds (distance) P-C4' energy: -151.753 flat angles C4'-P-C4' energy: -132.753 flat angles P-C4'-P energy: -80.763 tors. eta vs tors. theta energy: 21.447 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: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2572.521526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.521526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.521526 (E_RNA) where: Base-Base interactions energy: -1613.053 where: short stacking energy: -975.306 Base-Backbone interact. energy: -2.152 local terms energy: -957.317269 where: bonds (distance) C4'-P energy: -161.033 bonds (distance) P-C4' energy: -192.640 flat angles C4'-P-C4' energy: -206.993 flat angles P-C4'-P energy: -152.107 tors. eta vs tors. theta energy: -244.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2357.504218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.504218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.504218 (E_RNA) where: Base-Base interactions energy: -1448.680 where: short stacking energy: -874.145 Base-Backbone interact. energy: -2.820 local terms energy: -906.003885 where: bonds (distance) C4'-P energy: -165.171 bonds (distance) P-C4' energy: -185.548 flat angles C4'-P-C4' energy: -199.464 flat angles P-C4'-P energy: -138.834 tors. eta vs tors. theta energy: -216.987 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: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2092.383237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.383237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.383237 (E_RNA) where: Base-Base interactions energy: -1273.379 where: short stacking energy: -769.666 Base-Backbone interact. energy: -2.695 local terms energy: -816.308946 where: bonds (distance) C4'-P energy: -181.340 bonds (distance) P-C4' energy: -179.429 flat angles C4'-P-C4' energy: -187.985 flat angles P-C4'-P energy: -111.950 tors. eta vs tors. theta energy: -155.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1997.832623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.832623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.832623 (E_RNA) where: Base-Base interactions energy: -1216.497 where: short stacking energy: -746.034 Base-Backbone interact. energy: 0.974 local terms energy: -782.309851 where: bonds (distance) C4'-P energy: -160.036 bonds (distance) P-C4' energy: -175.643 flat angles C4'-P-C4' energy: -182.491 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -147.398 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1774.751984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.751984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.751984 (E_RNA) where: Base-Base interactions energy: -1061.029 where: short stacking energy: -635.395 Base-Backbone interact. energy: 0.480 local terms energy: -714.202991 where: bonds (distance) C4'-P energy: -169.397 bonds (distance) P-C4' energy: -153.517 flat angles C4'-P-C4' energy: -177.019 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -116.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1386.697598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.697598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.697598 (E_RNA) where: Base-Base interactions energy: -765.746 where: short stacking energy: -505.658 Base-Backbone interact. energy: -2.357 local terms energy: -618.593938 where: bonds (distance) C4'-P energy: -150.136 bonds (distance) P-C4' energy: -163.971 flat angles C4'-P-C4' energy: -146.617 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -56.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1061.628137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.628137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.628137 (E_RNA) where: Base-Base interactions energy: -516.004 where: short stacking energy: -422.972 Base-Backbone interact. energy: 19.450 local terms energy: -565.074892 where: bonds (distance) C4'-P energy: -124.085 bonds (distance) P-C4' energy: -162.196 flat angles C4'-P-C4' energy: -151.496 flat angles P-C4'-P energy: -85.225 tors. eta vs tors. theta energy: -42.073 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: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -913.277095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.277095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.277095 (E_RNA) where: Base-Base interactions energy: -426.187 where: short stacking energy: -356.751 Base-Backbone interact. energy: 5.161 local terms energy: -492.250502 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -150.389 flat angles C4'-P-C4' energy: -144.731 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -891.048167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.048167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.048167 (E_RNA) where: Base-Base interactions energy: -389.878 where: short stacking energy: -314.848 Base-Backbone interact. energy: 4.556 local terms energy: -505.726293 where: bonds (distance) C4'-P energy: -158.728 bonds (distance) P-C4' energy: -156.847 flat angles C4'-P-C4' energy: -129.502 flat angles P-C4'-P energy: -64.780 tors. eta vs tors. theta energy: 4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -750.581608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.581608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.581608 (E_RNA) where: Base-Base interactions energy: -306.844 where: short stacking energy: -278.315 Base-Backbone interact. energy: -0.994 local terms energy: -442.743932 where: bonds (distance) C4'-P energy: -134.515 bonds (distance) P-C4' energy: -148.698 flat angles C4'-P-C4' energy: -125.559 flat angles P-C4'-P energy: -66.557 tors. eta vs tors. theta energy: 32.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2551.426268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.426268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.426268 (E_RNA) where: Base-Base interactions energy: -1601.456 where: short stacking energy: -978.169 Base-Backbone interact. energy: -1.198 local terms energy: -948.772903 where: bonds (distance) C4'-P energy: -181.319 bonds (distance) P-C4' energy: -176.832 flat angles C4'-P-C4' energy: -200.122 flat angles P-C4'-P energy: -139.176 tors. eta vs tors. theta energy: -251.323 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: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2360.569570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.569570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.569570 (E_RNA) where: Base-Base interactions energy: -1465.918 where: short stacking energy: -870.025 Base-Backbone interact. energy: -2.275 local terms energy: -892.376478 where: bonds (distance) C4'-P energy: -175.107 bonds (distance) P-C4' energy: -176.742 flat angles C4'-P-C4' energy: -206.059 flat angles P-C4'-P energy: -109.616 tors. eta vs tors. theta energy: -224.853 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: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2159.709687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.709687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.709687 (E_RNA) where: Base-Base interactions energy: -1315.661 where: short stacking energy: -820.766 Base-Backbone interact. energy: -2.889 local terms energy: -841.159840 where: bonds (distance) C4'-P energy: -148.841 bonds (distance) P-C4' energy: -180.306 flat angles C4'-P-C4' energy: -189.414 flat angles P-C4'-P energy: -124.983 tors. eta vs tors. theta energy: -197.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2001.464510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.464510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.464510 (E_RNA) where: Base-Base interactions energy: -1216.015 where: short stacking energy: -706.850 Base-Backbone interact. energy: -6.410 local terms energy: -779.039028 where: bonds (distance) C4'-P energy: -171.054 bonds (distance) P-C4' energy: -167.429 flat angles C4'-P-C4' energy: -174.760 flat angles P-C4'-P energy: -102.608 tors. eta vs tors. theta energy: -163.187 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: 244 Temperature: 1.100000 Total energy: -1812.434516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.434516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.434516 (E_RNA) where: Base-Base interactions energy: -1050.023 where: short stacking energy: -636.130 Base-Backbone interact. energy: -6.662 local terms energy: -755.748740 where: bonds (distance) C4'-P energy: -172.234 bonds (distance) P-C4' energy: -174.927 flat angles C4'-P-C4' energy: -151.424 flat angles P-C4'-P energy: -119.870 tors. eta vs tors. theta energy: -137.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1392.490529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.490529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.490529 (E_RNA) where: Base-Base interactions energy: -712.130 where: short stacking energy: -508.083 Base-Backbone interact. energy: -2.870 local terms energy: -677.491054 where: bonds (distance) C4'-P energy: -159.992 bonds (distance) P-C4' energy: -178.707 flat angles C4'-P-C4' energy: -158.289 flat angles P-C4'-P energy: -104.555 tors. eta vs tors. theta energy: -75.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1062.591831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.591831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.591831 (E_RNA) where: Base-Base interactions energy: -489.040 where: short stacking energy: -386.599 Base-Backbone interact. energy: -1.288 local terms energy: -572.263435 where: bonds (distance) C4'-P energy: -146.218 bonds (distance) P-C4' energy: -154.711 flat angles C4'-P-C4' energy: -157.094 flat angles P-C4'-P energy: -91.014 tors. eta vs tors. theta energy: -23.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -933.602650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.602650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.602650 (E_RNA) where: Base-Base interactions energy: -398.272 where: short stacking energy: -352.971 Base-Backbone interact. energy: -1.470 local terms energy: -533.860429 where: bonds (distance) C4'-P energy: -138.306 bonds (distance) P-C4' energy: -174.391 flat angles C4'-P-C4' energy: -126.211 flat angles P-C4'-P energy: -86.667 tors. eta vs tors. theta energy: -8.285 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: 244 Temperature: 1.300000 Total energy: -851.197975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.197975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.197975 (E_RNA) where: Base-Base interactions energy: -344.773 where: short stacking energy: -311.249 Base-Backbone interact. energy: -4.250 local terms energy: -502.175430 where: bonds (distance) C4'-P energy: -120.071 bonds (distance) P-C4' energy: -164.286 flat angles C4'-P-C4' energy: -147.304 flat angles P-C4'-P energy: -61.770 tors. eta vs tors. theta energy: -8.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -826.708954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.708954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.708954 (E_RNA) where: Base-Base interactions energy: -320.165 where: short stacking energy: -242.795 Base-Backbone interact. energy: 7.793 local terms energy: -514.337385 where: bonds (distance) C4'-P energy: -161.900 bonds (distance) P-C4' energy: -165.136 flat angles C4'-P-C4' energy: -131.982 flat angles P-C4'-P energy: -73.781 tors. eta vs tors. theta energy: 18.462 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: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2599.079311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.079311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.079311 (E_RNA) where: Base-Base interactions energy: -1606.138 where: short stacking energy: -982.572 Base-Backbone interact. energy: -5.566 local terms energy: -987.374803 where: bonds (distance) C4'-P energy: -177.372 bonds (distance) P-C4' energy: -189.982 flat angles C4'-P-C4' energy: -208.803 flat angles P-C4'-P energy: -139.523 tors. eta vs tors. theta energy: -271.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2342.523027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.523027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.523027 (E_RNA) where: Base-Base interactions energy: -1479.355 where: short stacking energy: -871.829 Base-Backbone interact. energy: -1.802 local terms energy: -861.365685 where: bonds (distance) C4'-P energy: -169.106 bonds (distance) P-C4' energy: -153.249 flat angles C4'-P-C4' energy: -201.811 flat angles P-C4'-P energy: -121.068 tors. eta vs tors. theta energy: -216.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2162.707195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.707195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.707195 (E_RNA) where: Base-Base interactions energy: -1318.406 where: short stacking energy: -854.297 Base-Backbone interact. energy: -2.471 local terms energy: -841.830977 where: bonds (distance) C4'-P energy: -158.589 bonds (distance) P-C4' energy: -183.214 flat angles C4'-P-C4' energy: -190.812 flat angles P-C4'-P energy: -110.903 tors. eta vs tors. theta energy: -198.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1928.776025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.776025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.776025 (E_RNA) where: Base-Base interactions energy: -1164.737 where: short stacking energy: -700.384 Base-Backbone interact. energy: -0.300 local terms energy: -763.739033 where: bonds (distance) C4'-P energy: -172.917 bonds (distance) P-C4' energy: -176.127 flat angles C4'-P-C4' energy: -163.262 flat angles P-C4'-P energy: -117.035 tors. eta vs tors. theta energy: -134.398 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: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1754.752803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.752803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.752803 (E_RNA) where: Base-Base interactions energy: -1055.620 where: short stacking energy: -648.869 Base-Backbone interact. energy: -1.637 local terms energy: -697.496357 where: bonds (distance) C4'-P energy: -162.096 bonds (distance) P-C4' energy: -157.486 flat angles C4'-P-C4' energy: -153.136 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -125.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1382.541019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.541019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.541019 (E_RNA) where: Base-Base interactions energy: -710.993 where: short stacking energy: -496.706 Base-Backbone interact. energy: 1.593 local terms energy: -673.141467 where: bonds (distance) C4'-P energy: -169.356 bonds (distance) P-C4' energy: -177.380 flat angles C4'-P-C4' energy: -163.035 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -69.808 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: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1081.796298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.796298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.796298 (E_RNA) where: Base-Base interactions energy: -507.890 where: short stacking energy: -408.154 Base-Backbone interact. energy: -1.937 local terms energy: -571.969618 where: bonds (distance) C4'-P energy: -153.437 bonds (distance) P-C4' energy: -174.618 flat angles C4'-P-C4' energy: -145.655 flat angles P-C4'-P energy: -76.252 tors. eta vs tors. theta energy: -22.008 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: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -923.114812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.114812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.114812 (E_RNA) where: Base-Base interactions energy: -396.837 where: short stacking energy: -368.156 Base-Backbone interact. energy: 8.581 local terms energy: -534.858745 where: bonds (distance) C4'-P energy: -137.466 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -137.776 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -20.622 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: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -805.732879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.732879 (E_RNA) where: Base-Base interactions energy: -342.059 where: short stacking energy: -296.395 Base-Backbone interact. energy: -0.885 local terms energy: -462.788205 where: bonds (distance) C4'-P energy: -148.973 bonds (distance) P-C4' energy: -153.773 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -70.373 tors. eta vs tors. theta energy: 18.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -765.582154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.582154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.582154 (E_RNA) where: Base-Base interactions energy: -301.888 where: short stacking energy: -221.757 Base-Backbone interact. energy: 5.329 local terms energy: -469.023151 where: bonds (distance) C4'-P energy: -137.299 bonds (distance) P-C4' energy: -170.816 flat angles C4'-P-C4' energy: -108.366 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: 42.933 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2593.010177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.010177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.010177 (E_RNA) where: Base-Base interactions energy: -1624.283 where: short stacking energy: -964.659 Base-Backbone interact. energy: -9.806 local terms energy: -958.920605 where: bonds (distance) C4'-P energy: -169.876 bonds (distance) P-C4' energy: -178.088 flat angles C4'-P-C4' energy: -204.114 flat angles P-C4'-P energy: -152.012 tors. eta vs tors. theta energy: -254.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2420.200651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.200651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.200651 (E_RNA) where: Base-Base interactions energy: -1492.447 where: short stacking energy: -906.372 Base-Backbone interact. energy: -2.843 local terms energy: -924.910437 where: bonds (distance) C4'-P energy: -169.719 bonds (distance) P-C4' energy: -202.942 flat angles C4'-P-C4' energy: -205.290 flat angles P-C4'-P energy: -120.798 tors. eta vs tors. theta energy: -226.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2164.767362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.767362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.767362 (E_RNA) where: Base-Base interactions energy: -1300.623 where: short stacking energy: -800.352 Base-Backbone interact. energy: -1.701 local terms energy: -862.443884 where: bonds (distance) C4'-P energy: -165.861 bonds (distance) P-C4' energy: -178.528 flat angles C4'-P-C4' energy: -192.268 flat angles P-C4'-P energy: -119.310 tors. eta vs tors. theta energy: -206.477 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: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1993.921002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.921002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.921002 (E_RNA) where: Base-Base interactions energy: -1203.311 where: short stacking energy: -722.075 Base-Backbone interact. energy: -4.247 local terms energy: -786.362811 where: bonds (distance) C4'-P energy: -170.895 bonds (distance) P-C4' energy: -175.879 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -156.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1748.761978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.761978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.761978 (E_RNA) where: Base-Base interactions energy: -1038.373 where: short stacking energy: -633.791 Base-Backbone interact. energy: 1.262 local terms energy: -711.650469 where: bonds (distance) C4'-P energy: -146.103 bonds (distance) P-C4' energy: -170.992 flat angles C4'-P-C4' energy: -177.120 flat angles P-C4'-P energy: -95.949 tors. eta vs tors. theta energy: -121.486 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: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1350.915342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.915342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.915342 (E_RNA) where: Base-Base interactions energy: -727.755 where: short stacking energy: -497.465 Base-Backbone interact. energy: -0.550 local terms energy: -622.611189 where: bonds (distance) C4'-P energy: -149.996 bonds (distance) P-C4' energy: -164.627 flat angles C4'-P-C4' energy: -149.660 flat angles P-C4'-P energy: -102.236 tors. eta vs tors. theta energy: -56.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1057.105410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.105410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.105410 (E_RNA) where: Base-Base interactions energy: -498.834 where: short stacking energy: -407.747 Base-Backbone interact. energy: 10.511 local terms energy: -568.782978 where: bonds (distance) C4'-P energy: -149.452 bonds (distance) P-C4' energy: -158.709 flat angles C4'-P-C4' energy: -149.038 flat angles P-C4'-P energy: -89.149 tors. eta vs tors. theta energy: -22.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -942.235177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.235177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.235177 (E_RNA) where: Base-Base interactions energy: -393.219 where: short stacking energy: -377.530 Base-Backbone interact. energy: -0.312 local terms energy: -548.704160 where: bonds (distance) C4'-P energy: -154.070 bonds (distance) P-C4' energy: -155.733 flat angles C4'-P-C4' energy: -136.493 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -38.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -831.340615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.340615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.340615 (E_RNA) where: Base-Base interactions energy: -329.176 where: short stacking energy: -295.386 Base-Backbone interact. energy: 3.323 local terms energy: -505.488232 where: bonds (distance) C4'-P energy: -151.085 bonds (distance) P-C4' energy: -140.872 flat angles C4'-P-C4' energy: -140.293 flat angles P-C4'-P energy: -58.538 tors. eta vs tors. theta energy: -14.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -823.931408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.931408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.931408 (E_RNA) where: Base-Base interactions energy: -335.268 where: short stacking energy: -277.842 Base-Backbone interact. energy: 0.728 local terms energy: -489.391262 where: bonds (distance) C4'-P energy: -156.105 bonds (distance) P-C4' energy: -168.675 flat angles C4'-P-C4' energy: -103.369 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: 9.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2631.375444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.375444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.375444 (E_RNA) where: Base-Base interactions energy: -1649.026 where: short stacking energy: -1018.224 Base-Backbone interact. energy: -2.535 local terms energy: -979.814382 where: bonds (distance) C4'-P energy: -175.023 bonds (distance) P-C4' energy: -183.274 flat angles C4'-P-C4' energy: -206.614 flat angles P-C4'-P energy: -142.373 tors. eta vs tors. theta energy: -272.530 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: 247 Temperature: 0.950000 Total energy: -2370.938276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.938276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.938276 (E_RNA) where: Base-Base interactions energy: -1483.384 where: short stacking energy: -896.058 Base-Backbone interact. energy: -2.429 local terms energy: -885.125980 where: bonds (distance) C4'-P energy: -175.975 bonds (distance) P-C4' energy: -177.301 flat angles C4'-P-C4' energy: -198.771 flat angles P-C4'-P energy: -128.729 tors. eta vs tors. theta energy: -204.351 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: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2116.547584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.547584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.547584 (E_RNA) where: Base-Base interactions energy: -1292.867 where: short stacking energy: -788.518 Base-Backbone interact. energy: -1.699 local terms energy: -821.982334 where: bonds (distance) C4'-P energy: -171.300 bonds (distance) P-C4' energy: -165.801 flat angles C4'-P-C4' energy: -186.757 flat angles P-C4'-P energy: -108.492 tors. eta vs tors. theta energy: -189.632 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: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1957.677144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.677144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.677144 (E_RNA) where: Base-Base interactions energy: -1170.179 where: short stacking energy: -738.883 Base-Backbone interact. energy: 3.516 local terms energy: -791.014308 where: bonds (distance) C4'-P energy: -164.433 bonds (distance) P-C4' energy: -182.524 flat angles C4'-P-C4' energy: -175.744 flat angles P-C4'-P energy: -108.347 tors. eta vs tors. theta energy: -159.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1729.313962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.313962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.313962 (E_RNA) where: Base-Base interactions energy: -997.899 where: short stacking energy: -625.679 Base-Backbone interact. energy: -0.894 local terms energy: -730.521247 where: bonds (distance) C4'-P energy: -165.304 bonds (distance) P-C4' energy: -184.869 flat angles C4'-P-C4' energy: -162.300 flat angles P-C4'-P energy: -104.603 tors. eta vs tors. theta energy: -113.445 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1346.573500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.573500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.573500 (E_RNA) where: Base-Base interactions energy: -695.709 where: short stacking energy: -464.647 Base-Backbone interact. energy: 1.331 local terms energy: -652.195209 where: bonds (distance) C4'-P energy: -153.132 bonds (distance) P-C4' energy: -178.663 flat angles C4'-P-C4' energy: -154.028 flat angles P-C4'-P energy: -101.988 tors. eta vs tors. theta energy: -64.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1188.989556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.989556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.989556 (E_RNA) where: Base-Base interactions energy: -567.157 where: short stacking energy: -462.083 Base-Backbone interact. energy: -2.295 local terms energy: -619.538256 where: bonds (distance) C4'-P energy: -148.416 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -162.218 flat angles P-C4'-P energy: -88.330 tors. eta vs tors. theta energy: -70.637 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: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -967.836822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.836822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.836822 (E_RNA) where: Base-Base interactions energy: -415.244 where: short stacking energy: -376.726 Base-Backbone interact. energy: -1.279 local terms energy: -551.313324 where: bonds (distance) C4'-P energy: -132.089 bonds (distance) P-C4' energy: -181.135 flat angles C4'-P-C4' energy: -128.456 flat angles P-C4'-P energy: -70.739 tors. eta vs tors. theta energy: -38.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -891.803443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.803443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.803443 (E_RNA) where: Base-Base interactions energy: -405.234 where: short stacking energy: -336.753 Base-Backbone interact. energy: -0.879 local terms energy: -485.689727 where: bonds (distance) C4'-P energy: -116.724 bonds (distance) P-C4' energy: -137.993 flat angles C4'-P-C4' energy: -113.557 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: -32.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -760.181764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.181764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.181764 (E_RNA) where: Base-Base interactions energy: -304.787 where: short stacking energy: -279.930 Base-Backbone interact. energy: 0.970 local terms energy: -456.364942 where: bonds (distance) C4'-P energy: -129.207 bonds (distance) P-C4' energy: -142.203 flat angles C4'-P-C4' energy: -123.060 flat angles P-C4'-P energy: -74.668 tors. eta vs tors. theta energy: 12.773 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: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2595.452789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.452789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.452789 (E_RNA) where: Base-Base interactions energy: -1631.355 where: short stacking energy: -985.756 Base-Backbone interact. energy: -7.748 local terms energy: -956.349836 where: bonds (distance) C4'-P energy: -167.201 bonds (distance) P-C4' energy: -197.169 flat angles C4'-P-C4' energy: -209.642 flat angles P-C4'-P energy: -128.045 tors. eta vs tors. theta energy: -254.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2405.303697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.303697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.303697 (E_RNA) where: Base-Base interactions energy: -1487.653 where: short stacking energy: -906.253 Base-Backbone interact. energy: -1.988 local terms energy: -915.662497 where: bonds (distance) C4'-P energy: -179.046 bonds (distance) P-C4' energy: -178.643 flat angles C4'-P-C4' energy: -208.840 flat angles P-C4'-P energy: -134.945 tors. eta vs tors. theta energy: -214.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2099.597342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.597342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.597342 (E_RNA) where: Base-Base interactions energy: -1265.241 where: short stacking energy: -800.954 Base-Backbone interact. energy: -0.802 local terms energy: -833.554321 where: bonds (distance) C4'-P energy: -172.764 bonds (distance) P-C4' energy: -180.962 flat angles C4'-P-C4' energy: -187.017 flat angles P-C4'-P energy: -104.134 tors. eta vs tors. theta energy: -188.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1992.613068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.613068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.613068 (E_RNA) where: Base-Base interactions energy: -1186.787 where: short stacking energy: -732.051 Base-Backbone interact. energy: -4.178 local terms energy: -801.648543 where: bonds (distance) C4'-P energy: -173.289 bonds (distance) P-C4' energy: -165.920 flat angles C4'-P-C4' energy: -179.085 flat angles P-C4'-P energy: -112.140 tors. eta vs tors. theta energy: -171.214 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: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1715.517649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.517649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.517649 (E_RNA) where: Base-Base interactions energy: -1003.372 where: short stacking energy: -634.921 Base-Backbone interact. energy: -4.993 local terms energy: -707.152860 where: bonds (distance) C4'-P energy: -164.683 bonds (distance) P-C4' energy: -169.277 flat angles C4'-P-C4' energy: -168.841 flat angles P-C4'-P energy: -99.384 tors. eta vs tors. theta energy: -104.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1399.586981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.586981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.586981 (E_RNA) where: Base-Base interactions energy: -728.602 where: short stacking energy: -455.297 Base-Backbone interact. energy: -1.559 local terms energy: -669.425674 where: bonds (distance) C4'-P energy: -155.034 bonds (distance) P-C4' energy: -164.897 flat angles C4'-P-C4' energy: -171.209 flat angles P-C4'-P energy: -115.405 tors. eta vs tors. theta energy: -62.881 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: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1075.642255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.642255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.642255 (E_RNA) where: Base-Base interactions energy: -495.362 where: short stacking energy: -387.461 Base-Backbone interact. energy: 4.887 local terms energy: -585.166717 where: bonds (distance) C4'-P energy: -175.546 bonds (distance) P-C4' energy: -162.173 flat angles C4'-P-C4' energy: -147.421 flat angles P-C4'-P energy: -90.136 tors. eta vs tors. theta energy: -9.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -935.552974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.552974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.552974 (E_RNA) where: Base-Base interactions energy: -405.198 where: short stacking energy: -380.207 Base-Backbone interact. energy: -1.629 local terms energy: -528.725371 where: bonds (distance) C4'-P energy: -138.629 bonds (distance) P-C4' energy: -168.290 flat angles C4'-P-C4' energy: -130.754 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -25.297 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: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -902.915486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.915486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.915486 (E_RNA) where: Base-Base interactions energy: -428.755 where: short stacking energy: -348.235 Base-Backbone interact. energy: 0.137 local terms energy: -474.297764 where: bonds (distance) C4'-P energy: -149.913 bonds (distance) P-C4' energy: -161.417 flat angles C4'-P-C4' energy: -98.981 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -11.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -773.938437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.938437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.938437 (E_RNA) where: Base-Base interactions energy: -281.513 where: short stacking energy: -253.268 Base-Backbone interact. energy: 3.354 local terms energy: -495.779197 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -139.584 flat angles C4'-P-C4' energy: -140.121 flat angles P-C4'-P energy: -92.299 tors. eta vs tors. theta energy: 23.157 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: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2573.049597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.049597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.049597 (E_RNA) where: Base-Base interactions energy: -1620.348 where: short stacking energy: -934.188 Base-Backbone interact. energy: -6.732 local terms energy: -945.969601 where: bonds (distance) C4'-P energy: -181.435 bonds (distance) P-C4' energy: -174.792 flat angles C4'-P-C4' energy: -206.829 flat angles P-C4'-P energy: -131.953 tors. eta vs tors. theta energy: -250.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2428.146800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.146800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.146800 (E_RNA) where: Base-Base interactions energy: -1509.594 where: short stacking energy: -910.731 Base-Backbone interact. energy: -1.029 local terms energy: -917.523648 where: bonds (distance) C4'-P energy: -184.103 bonds (distance) P-C4' energy: -186.122 flat angles C4'-P-C4' energy: -190.223 flat angles P-C4'-P energy: -127.544 tors. eta vs tors. theta energy: -229.531 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: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2091.067416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.067416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.067416 (E_RNA) where: Base-Base interactions energy: -1248.815 where: short stacking energy: -758.568 Base-Backbone interact. energy: -4.086 local terms energy: -838.167177 where: bonds (distance) C4'-P energy: -163.092 bonds (distance) P-C4' energy: -180.066 flat angles C4'-P-C4' energy: -182.652 flat angles P-C4'-P energy: -130.929 tors. eta vs tors. theta energy: -181.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2030.827671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.827671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.827671 (E_RNA) where: Base-Base interactions energy: -1219.885 where: short stacking energy: -746.235 Base-Backbone interact. energy: -5.035 local terms energy: -805.907635 where: bonds (distance) C4'-P energy: -158.280 bonds (distance) P-C4' energy: -179.878 flat angles C4'-P-C4' energy: -181.688 flat angles P-C4'-P energy: -110.718 tors. eta vs tors. theta energy: -175.344 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: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1637.312591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.312591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.312591 (E_RNA) where: Base-Base interactions energy: -953.484 where: short stacking energy: -629.362 Base-Backbone interact. energy: -0.313 local terms energy: -683.515493 where: bonds (distance) C4'-P energy: -156.655 bonds (distance) P-C4' energy: -154.588 flat angles C4'-P-C4' energy: -164.407 flat angles P-C4'-P energy: -92.879 tors. eta vs tors. theta energy: -114.987 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: 249 Temperature: 1.150000 Total energy: -1410.352674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.352674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.352674 (E_RNA) where: Base-Base interactions energy: -730.364 where: short stacking energy: -462.274 Base-Backbone interact. energy: -0.162 local terms energy: -679.826638 where: bonds (distance) C4'-P energy: -157.732 bonds (distance) P-C4' energy: -150.940 flat angles C4'-P-C4' energy: -173.068 flat angles P-C4'-P energy: -124.958 tors. eta vs tors. theta energy: -73.129 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: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1036.038266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.038266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.038266 (E_RNA) where: Base-Base interactions energy: -510.910 where: short stacking energy: -401.230 Base-Backbone interact. energy: -2.851 local terms energy: -522.277746 where: bonds (distance) C4'-P energy: -125.036 bonds (distance) P-C4' energy: -148.945 flat angles C4'-P-C4' energy: -144.576 flat angles P-C4'-P energy: -78.868 tors. eta vs tors. theta energy: -24.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -954.848766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.848766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.848766 (E_RNA) where: Base-Base interactions energy: -403.612 where: short stacking energy: -367.782 Base-Backbone interact. energy: -1.568 local terms energy: -549.669118 where: bonds (distance) C4'-P energy: -159.934 bonds (distance) P-C4' energy: -169.744 flat angles C4'-P-C4' energy: -105.697 flat angles P-C4'-P energy: -86.630 tors. eta vs tors. theta energy: -27.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -949.580343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.580343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.580343 (E_RNA) where: Base-Base interactions energy: -446.616 where: short stacking energy: -382.089 Base-Backbone interact. energy: 0.417 local terms energy: -503.380976 where: bonds (distance) C4'-P energy: -135.600 bonds (distance) P-C4' energy: -150.339 flat angles C4'-P-C4' energy: -119.766 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -18.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -742.215123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.215123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.215123 (E_RNA) where: Base-Base interactions energy: -295.247 where: short stacking energy: -283.636 Base-Backbone interact. energy: 5.342 local terms energy: -452.310887 where: bonds (distance) C4'-P energy: -136.723 bonds (distance) P-C4' energy: -151.868 flat angles C4'-P-C4' energy: -126.380 flat angles P-C4'-P energy: -50.304 tors. eta vs tors. theta energy: 12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2605.899773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.899773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.899773 (E_RNA) where: Base-Base interactions energy: -1626.221 where: short stacking energy: -930.700 Base-Backbone interact. energy: -3.342 local terms energy: -976.336743 where: bonds (distance) C4'-P energy: -180.600 bonds (distance) P-C4' energy: -202.743 flat angles C4'-P-C4' energy: -203.547 flat angles P-C4'-P energy: -144.475 tors. eta vs tors. theta energy: -244.971 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: 250 Temperature: 0.950000 Total energy: -2467.759738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.759738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.759738 (E_RNA) where: Base-Base interactions energy: -1579.587 where: short stacking energy: -960.865 Base-Backbone interact. energy: -0.499 local terms energy: -887.673749 where: bonds (distance) C4'-P energy: -175.368 bonds (distance) P-C4' energy: -174.901 flat angles C4'-P-C4' energy: -188.548 flat angles P-C4'-P energy: -110.199 tors. eta vs tors. theta energy: -238.659 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: 250 Temperature: 1.000000 Total energy: -2131.101158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.101158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.101158 (E_RNA) where: Base-Base interactions energy: -1291.166 where: short stacking energy: -796.895 Base-Backbone interact. energy: -2.836 local terms energy: -837.098931 where: bonds (distance) C4'-P energy: -166.414 bonds (distance) P-C4' energy: -163.562 flat angles C4'-P-C4' energy: -193.949 flat angles P-C4'-P energy: -125.268 tors. eta vs tors. theta energy: -187.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1952.054112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.054112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.054112 (E_RNA) where: Base-Base interactions energy: -1176.773 where: short stacking energy: -723.279 Base-Backbone interact. energy: -5.251 local terms energy: -770.030450 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -161.018 flat angles C4'-P-C4' energy: -187.536 flat angles P-C4'-P energy: -113.849 tors. eta vs tors. theta energy: -153.588 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: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1628.921906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.921906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.921906 (E_RNA) where: Base-Base interactions energy: -912.570 where: short stacking energy: -590.407 Base-Backbone interact. energy: -2.357 local terms energy: -713.994576 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -175.710 flat angles C4'-P-C4' energy: -166.527 flat angles P-C4'-P energy: -101.906 tors. eta vs tors. theta energy: -109.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1367.648939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.648939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.648939 (E_RNA) where: Base-Base interactions energy: -729.786 where: short stacking energy: -468.673 Base-Backbone interact. energy: -0.844 local terms energy: -637.019212 where: bonds (distance) C4'-P energy: -157.484 bonds (distance) P-C4' energy: -175.240 flat angles C4'-P-C4' energy: -169.161 flat angles P-C4'-P energy: -94.573 tors. eta vs tors. theta energy: -40.560 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: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1037.821133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.821133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.821133 (E_RNA) where: Base-Base interactions energy: -500.919 where: short stacking energy: -397.698 Base-Backbone interact. energy: 2.643 local terms energy: -539.544679 where: bonds (distance) C4'-P energy: -146.555 bonds (distance) P-C4' energy: -141.027 flat angles C4'-P-C4' energy: -141.202 flat angles P-C4'-P energy: -75.640 tors. eta vs tors. theta energy: -35.121 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: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -903.402816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.402816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.402816 (E_RNA) where: Base-Base interactions energy: -350.170 where: short stacking energy: -327.805 Base-Backbone interact. energy: 0.827 local terms energy: -554.060309 where: bonds (distance) C4'-P energy: -167.344 bonds (distance) P-C4' energy: -158.216 flat angles C4'-P-C4' energy: -145.319 flat angles P-C4'-P energy: -81.174 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -822.998288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.998288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.998288 (E_RNA) where: Base-Base interactions energy: -322.211 where: short stacking energy: -268.692 Base-Backbone interact. energy: -0.181 local terms energy: -500.606205 where: bonds (distance) C4'-P energy: -149.388 bonds (distance) P-C4' energy: -139.088 flat angles C4'-P-C4' energy: -125.034 flat angles P-C4'-P energy: -98.356 tors. eta vs tors. theta energy: 11.259 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: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -862.821397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.821397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.821397 (E_RNA) where: Base-Base interactions energy: -369.071 where: short stacking energy: -285.911 Base-Backbone interact. energy: 6.659 local terms energy: -500.409712 where: bonds (distance) C4'-P energy: -129.412 bonds (distance) P-C4' energy: -143.105 flat angles C4'-P-C4' energy: -151.306 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: 4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2629.197440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.197440 (E_RNA) where: Base-Base interactions energy: -1661.419 where: short stacking energy: -992.927 Base-Backbone interact. energy: -5.880 local terms energy: -961.899078 where: bonds (distance) C4'-P energy: -172.814 bonds (distance) P-C4' energy: -179.411 flat angles C4'-P-C4' energy: -211.814 flat angles P-C4'-P energy: -144.988 tors. eta vs tors. theta energy: -252.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2467.884310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.884310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.884310 (E_RNA) where: Base-Base interactions energy: -1538.988 where: short stacking energy: -945.393 Base-Backbone interact. energy: -2.755 local terms energy: -926.141676 where: bonds (distance) C4'-P energy: -189.390 bonds (distance) P-C4' energy: -181.175 flat angles C4'-P-C4' energy: -207.233 flat angles P-C4'-P energy: -127.168 tors. eta vs tors. theta energy: -221.177 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: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2150.287810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.287810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.287810 (E_RNA) where: Base-Base interactions energy: -1262.364 where: short stacking energy: -800.681 Base-Backbone interact. energy: -5.241 local terms energy: -882.682558 where: bonds (distance) C4'-P energy: -173.167 bonds (distance) P-C4' energy: -182.582 flat angles C4'-P-C4' energy: -198.318 flat angles P-C4'-P energy: -136.093 tors. eta vs tors. theta energy: -192.522 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: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1988.650845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.650845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.650845 (E_RNA) where: Base-Base interactions energy: -1172.639 where: short stacking energy: -728.955 Base-Backbone interact. energy: -4.311 local terms energy: -811.700399 where: bonds (distance) C4'-P energy: -160.489 bonds (distance) P-C4' energy: -169.185 flat angles C4'-P-C4' energy: -184.748 flat angles P-C4'-P energy: -129.571 tors. eta vs tors. theta energy: -167.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1661.291998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.291998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.291998 (E_RNA) where: Base-Base interactions energy: -940.302 where: short stacking energy: -613.245 Base-Backbone interact. energy: 3.916 local terms energy: -724.906070 where: bonds (distance) C4'-P energy: -150.792 bonds (distance) P-C4' energy: -185.835 flat angles C4'-P-C4' energy: -183.737 flat angles P-C4'-P energy: -95.613 tors. eta vs tors. theta energy: -108.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1414.880639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.880639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.880639 (E_RNA) where: Base-Base interactions energy: -730.067 where: short stacking energy: -529.453 Base-Backbone interact. energy: 1.609 local terms energy: -686.422406 where: bonds (distance) C4'-P energy: -169.167 bonds (distance) P-C4' energy: -171.131 flat angles C4'-P-C4' energy: -147.180 flat angles P-C4'-P energy: -117.020 tors. eta vs tors. theta energy: -81.924 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: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1095.174645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.174645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.174645 (E_RNA) where: Base-Base interactions energy: -479.793 where: short stacking energy: -386.498 Base-Backbone interact. energy: -4.708 local terms energy: -610.673406 where: bonds (distance) C4'-P energy: -142.538 bonds (distance) P-C4' energy: -161.736 flat angles C4'-P-C4' energy: -156.424 flat angles P-C4'-P energy: -95.506 tors. eta vs tors. theta energy: -54.470 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: 251 Temperature: 1.250000 Total energy: -932.421660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.421660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.421660 (E_RNA) where: Base-Base interactions energy: -399.759 where: short stacking energy: -336.543 Base-Backbone interact. energy: 1.628 local terms energy: -534.290164 where: bonds (distance) C4'-P energy: -146.386 bonds (distance) P-C4' energy: -146.613 flat angles C4'-P-C4' energy: -154.179 flat angles P-C4'-P energy: -79.607 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -810.771230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.771230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.771230 (E_RNA) where: Base-Base interactions energy: -323.423 where: short stacking energy: -274.551 Base-Backbone interact. energy: -2.303 local terms energy: -485.046213 where: bonds (distance) C4'-P energy: -162.414 bonds (distance) P-C4' energy: -132.610 flat angles C4'-P-C4' energy: -143.875 flat angles P-C4'-P energy: -73.190 tors. eta vs tors. theta energy: 27.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -776.252076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.252076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.252076 (E_RNA) where: Base-Base interactions energy: -306.616 where: short stacking energy: -259.740 Base-Backbone interact. energy: 4.054 local terms energy: -473.689835 where: bonds (distance) C4'-P energy: -141.213 bonds (distance) P-C4' energy: -144.417 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -85.973 tors. eta vs tors. theta energy: 28.987 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: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2635.212961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.212961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.212961 (E_RNA) where: Base-Base interactions energy: -1656.227 where: short stacking energy: -975.383 Base-Backbone interact. energy: -3.483 local terms energy: -975.502266 where: bonds (distance) C4'-P energy: -176.749 bonds (distance) P-C4' energy: -192.973 flat angles C4'-P-C4' energy: -214.117 flat angles P-C4'-P energy: -137.358 tors. eta vs tors. theta energy: -254.305 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: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2484.934955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.934955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.934955 (E_RNA) where: Base-Base interactions energy: -1524.950 where: short stacking energy: -932.406 Base-Backbone interact. energy: -5.633 local terms energy: -954.352148 where: bonds (distance) C4'-P energy: -165.260 bonds (distance) P-C4' energy: -194.004 flat angles C4'-P-C4' energy: -202.601 flat angles P-C4'-P energy: -136.842 tors. eta vs tors. theta energy: -255.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2143.789132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.789132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.789132 (E_RNA) where: Base-Base interactions energy: -1313.504 where: short stacking energy: -821.262 Base-Backbone interact. energy: -3.001 local terms energy: -827.283905 where: bonds (distance) C4'-P energy: -175.361 bonds (distance) P-C4' energy: -173.505 flat angles C4'-P-C4' energy: -188.257 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -181.592 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: 252 Temperature: 1.050000 Total energy: -1951.117277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.117277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.117277 (E_RNA) where: Base-Base interactions energy: -1188.720 where: short stacking energy: -686.519 Base-Backbone interact. energy: -6.184 local terms energy: -756.212981 where: bonds (distance) C4'-P energy: -150.711 bonds (distance) P-C4' energy: -164.053 flat angles C4'-P-C4' energy: -184.524 flat angles P-C4'-P energy: -114.244 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: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1738.785970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.785970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.785970 (E_RNA) where: Base-Base interactions energy: -980.231 where: short stacking energy: -660.719 Base-Backbone interact. energy: 1.555 local terms energy: -760.109666 where: bonds (distance) C4'-P energy: -161.529 bonds (distance) P-C4' energy: -187.203 flat angles C4'-P-C4' energy: -180.710 flat angles P-C4'-P energy: -101.633 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: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1327.850311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.850311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.850311 (E_RNA) where: Base-Base interactions energy: -696.063 where: short stacking energy: -494.415 Base-Backbone interact. energy: -3.693 local terms energy: -628.093749 where: bonds (distance) C4'-P energy: -167.686 bonds (distance) P-C4' energy: -154.380 flat angles C4'-P-C4' energy: -158.273 flat angles P-C4'-P energy: -80.751 tors. eta vs tors. theta energy: -67.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1112.703597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.703597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.703597 (E_RNA) where: Base-Base interactions energy: -552.636 where: short stacking energy: -445.512 Base-Backbone interact. energy: -4.156 local terms energy: -555.911158 where: bonds (distance) C4'-P energy: -137.973 bonds (distance) P-C4' energy: -149.218 flat angles C4'-P-C4' energy: -142.014 flat angles P-C4'-P energy: -81.021 tors. eta vs tors. theta energy: -45.685 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: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -880.302520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.302520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.302520 (E_RNA) where: Base-Base interactions energy: -375.275 where: short stacking energy: -336.371 Base-Backbone interact. energy: -0.777 local terms energy: -504.250453 where: bonds (distance) C4'-P energy: -149.720 bonds (distance) P-C4' energy: -165.843 flat angles C4'-P-C4' energy: -117.461 flat angles P-C4'-P energy: -69.397 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -841.931983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.931983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.931983 (E_RNA) where: Base-Base interactions energy: -331.509 where: short stacking energy: -302.874 Base-Backbone interact. energy: 8.384 local terms energy: -518.806910 where: bonds (distance) C4'-P energy: -161.181 bonds (distance) P-C4' energy: -151.513 flat angles C4'-P-C4' energy: -123.688 flat angles P-C4'-P energy: -80.050 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -786.915201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.915201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.915201 (E_RNA) where: Base-Base interactions energy: -323.706 where: short stacking energy: -272.761 Base-Backbone interact. energy: -2.258 local terms energy: -460.951170 where: bonds (distance) C4'-P energy: -141.512 bonds (distance) P-C4' energy: -120.766 flat angles C4'-P-C4' energy: -110.712 flat angles P-C4'-P energy: -75.472 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2621.497921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.497921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.497921 (E_RNA) where: Base-Base interactions energy: -1653.485 where: short stacking energy: -980.946 Base-Backbone interact. energy: -5.094 local terms energy: -962.919459 where: bonds (distance) C4'-P energy: -170.817 bonds (distance) P-C4' energy: -179.662 flat angles C4'-P-C4' energy: -218.580 flat angles P-C4'-P energy: -146.672 tors. eta vs tors. theta energy: -247.188 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: 253 Temperature: 0.950000 Total energy: -2510.425432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.425432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.425432 (E_RNA) where: Base-Base interactions energy: -1600.975 where: short stacking energy: -940.999 Base-Backbone interact. energy: -3.175 local terms energy: -906.276106 where: bonds (distance) C4'-P energy: -180.429 bonds (distance) P-C4' energy: -181.562 flat angles C4'-P-C4' energy: -184.994 flat angles P-C4'-P energy: -128.788 tors. eta vs tors. theta energy: -230.503 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: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2146.932257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.932257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.932257 (E_RNA) where: Base-Base interactions energy: -1283.399 where: short stacking energy: -814.222 Base-Backbone interact. energy: -0.891 local terms energy: -862.643144 where: bonds (distance) C4'-P energy: -160.241 bonds (distance) P-C4' energy: -179.386 flat angles C4'-P-C4' energy: -194.706 flat angles P-C4'-P energy: -126.773 tors. eta vs tors. theta energy: -201.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1964.394282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.394282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.394282 (E_RNA) where: Base-Base interactions energy: -1190.694 where: short stacking energy: -715.240 Base-Backbone interact. energy: 3.899 local terms energy: -777.599253 where: bonds (distance) C4'-P energy: -166.167 bonds (distance) P-C4' energy: -163.691 flat angles C4'-P-C4' energy: -181.369 flat angles P-C4'-P energy: -101.517 tors. eta vs tors. theta energy: -164.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1652.689941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.689941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.689941 (E_RNA) where: Base-Base interactions energy: -935.561 where: short stacking energy: -649.580 Base-Backbone interact. energy: 1.845 local terms energy: -718.974279 where: bonds (distance) C4'-P energy: -152.961 bonds (distance) P-C4' energy: -168.360 flat angles C4'-P-C4' energy: -168.163 flat angles P-C4'-P energy: -108.339 tors. eta vs tors. theta energy: -121.152 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: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1385.215029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.215029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.215029 (E_RNA) where: Base-Base interactions energy: -739.904 where: short stacking energy: -533.455 Base-Backbone interact. energy: -2.239 local terms energy: -643.071769 where: bonds (distance) C4'-P energy: -159.786 bonds (distance) P-C4' energy: -155.646 flat angles C4'-P-C4' energy: -152.708 flat angles P-C4'-P energy: -83.852 tors. eta vs tors. theta energy: -91.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1051.618280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.618280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.618280 (E_RNA) where: Base-Base interactions energy: -473.412 where: short stacking energy: -385.184 Base-Backbone interact. energy: 1.992 local terms energy: -580.198035 where: bonds (distance) C4'-P energy: -156.903 bonds (distance) P-C4' energy: -171.783 flat angles C4'-P-C4' energy: -138.573 flat angles P-C4'-P energy: -79.315 tors. eta vs tors. theta energy: -33.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -894.230431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.230431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.230431 (E_RNA) where: Base-Base interactions energy: -383.857 where: short stacking energy: -323.385 Base-Backbone interact. energy: 7.766 local terms energy: -518.138943 where: bonds (distance) C4'-P energy: -152.020 bonds (distance) P-C4' energy: -144.314 flat angles C4'-P-C4' energy: -147.566 flat angles P-C4'-P energy: -77.705 tors. eta vs tors. theta energy: 3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -887.912432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.912432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.912432 (E_RNA) where: Base-Base interactions energy: -390.231 where: short stacking energy: -351.675 Base-Backbone interact. energy: -3.984 local terms energy: -493.697093 where: bonds (distance) C4'-P energy: -144.360 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -143.088 flat angles P-C4'-P energy: -75.777 tors. eta vs tors. theta energy: 5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -828.506962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.506962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.506962 (E_RNA) where: Base-Base interactions energy: -343.873 where: short stacking energy: -305.773 Base-Backbone interact. energy: -0.769 local terms energy: -483.865304 where: bonds (distance) C4'-P energy: -152.273 bonds (distance) P-C4' energy: -150.722 flat angles C4'-P-C4' energy: -123.403 flat angles P-C4'-P energy: -64.684 tors. eta vs tors. theta energy: 7.216 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: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2606.706939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.706939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.706939 (E_RNA) where: Base-Base interactions energy: -1636.631 where: short stacking energy: -993.038 Base-Backbone interact. energy: -3.106 local terms energy: -966.970523 where: bonds (distance) C4'-P energy: -179.696 bonds (distance) P-C4' energy: -184.462 flat angles C4'-P-C4' energy: -207.226 flat angles P-C4'-P energy: -129.441 tors. eta vs tors. theta energy: -266.145 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: 254 Temperature: 0.950000 Total energy: -2494.285585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.285585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.285585 (E_RNA) where: Base-Base interactions energy: -1565.374 where: short stacking energy: -911.120 Base-Backbone interact. energy: -7.564 local terms energy: -921.347734 where: bonds (distance) C4'-P energy: -164.158 bonds (distance) P-C4' energy: -186.703 flat angles C4'-P-C4' energy: -215.330 flat angles P-C4'-P energy: -116.545 tors. eta vs tors. theta energy: -238.612 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: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2210.229784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.229784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.229784 (E_RNA) where: Base-Base interactions energy: -1337.288 where: short stacking energy: -794.809 Base-Backbone interact. energy: 2.305 local terms energy: -875.247447 where: bonds (distance) C4'-P energy: -181.773 bonds (distance) P-C4' energy: -180.756 flat angles C4'-P-C4' energy: -188.476 flat angles P-C4'-P energy: -124.087 tors. eta vs tors. theta energy: -200.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2005.924671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.924671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.924671 (E_RNA) where: Base-Base interactions energy: -1222.945 where: short stacking energy: -749.475 Base-Backbone interact. energy: -4.835 local terms energy: -778.144520 where: bonds (distance) C4'-P energy: -147.767 bonds (distance) P-C4' energy: -158.993 flat angles C4'-P-C4' energy: -182.994 flat angles P-C4'-P energy: -103.238 tors. eta vs tors. theta energy: -185.153 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: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1715.574386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.574386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.574386 (E_RNA) where: Base-Base interactions energy: -1003.564 where: short stacking energy: -634.799 Base-Backbone interact. energy: -0.940 local terms energy: -711.069688 where: bonds (distance) C4'-P energy: -151.689 bonds (distance) P-C4' energy: -155.554 flat angles C4'-P-C4' energy: -161.025 flat angles P-C4'-P energy: -116.906 tors. eta vs tors. theta energy: -125.896 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: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1424.777661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.777661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.777661 (E_RNA) where: Base-Base interactions energy: -753.415 where: short stacking energy: -514.848 Base-Backbone interact. energy: 2.671 local terms energy: -674.033777 where: bonds (distance) C4'-P energy: -154.666 bonds (distance) P-C4' energy: -155.984 flat angles C4'-P-C4' energy: -168.493 flat angles P-C4'-P energy: -113.392 tors. eta vs tors. theta energy: -81.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1091.462421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.462421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.462421 (E_RNA) where: Base-Base interactions energy: -484.565 where: short stacking energy: -376.245 Base-Backbone interact. energy: 0.475 local terms energy: -607.371790 where: bonds (distance) C4'-P energy: -159.881 bonds (distance) P-C4' energy: -164.224 flat angles C4'-P-C4' energy: -140.733 flat angles P-C4'-P energy: -94.517 tors. eta vs tors. theta energy: -48.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -902.934956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.934956 (E_RNA) where: Base-Base interactions energy: -363.059 where: short stacking energy: -302.747 Base-Backbone interact. energy: 7.984 local terms energy: -547.860162 where: bonds (distance) C4'-P energy: -168.295 bonds (distance) P-C4' energy: -158.525 flat angles C4'-P-C4' energy: -139.144 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: -8.557 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: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -854.054103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.054103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.054103 (E_RNA) where: Base-Base interactions energy: -386.224 where: short stacking energy: -332.147 Base-Backbone interact. energy: -2.456 local terms energy: -465.373966 where: bonds (distance) C4'-P energy: -145.398 bonds (distance) P-C4' energy: -134.835 flat angles C4'-P-C4' energy: -124.022 flat angles P-C4'-P energy: -75.062 tors. eta vs tors. theta energy: 13.943 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: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -755.341104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.341104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.341104 (E_RNA) where: Base-Base interactions energy: -310.842 where: short stacking energy: -253.855 Base-Backbone interact. energy: -0.138 local terms energy: -444.360552 where: bonds (distance) C4'-P energy: -130.939 bonds (distance) P-C4' energy: -148.009 flat angles C4'-P-C4' energy: -121.550 flat angles P-C4'-P energy: -69.958 tors. eta vs tors. theta energy: 26.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2646.987763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.987763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.987763 (E_RNA) where: Base-Base interactions energy: -1659.502 where: short stacking energy: -986.622 Base-Backbone interact. energy: 2.004 local terms energy: -989.489797 where: bonds (distance) C4'-P energy: -182.669 bonds (distance) P-C4' energy: -192.098 flat angles C4'-P-C4' energy: -200.122 flat angles P-C4'-P energy: -143.103 tors. eta vs tors. theta energy: -271.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2472.373663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.373663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.373663 (E_RNA) where: Base-Base interactions energy: -1555.090 where: short stacking energy: -896.548 Base-Backbone interact. energy: -1.705 local terms energy: -915.578925 where: bonds (distance) C4'-P energy: -173.997 bonds (distance) P-C4' energy: -187.611 flat angles C4'-P-C4' energy: -203.392 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -223.884 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: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2180.247828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.247828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.247828 (E_RNA) where: Base-Base interactions energy: -1307.803 where: short stacking energy: -799.306 Base-Backbone interact. energy: 3.826 local terms energy: -876.270773 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -170.895 flat angles C4'-P-C4' energy: -199.498 flat angles P-C4'-P energy: -142.213 tors. eta vs tors. theta energy: -196.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2034.343249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.343249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.343249 (E_RNA) where: Base-Base interactions energy: -1207.151 where: short stacking energy: -750.636 Base-Backbone interact. energy: -0.875 local terms energy: -826.317324 where: bonds (distance) C4'-P energy: -168.411 bonds (distance) P-C4' energy: -181.552 flat angles C4'-P-C4' energy: -187.044 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -180.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1720.453811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.453811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.453811 (E_RNA) where: Base-Base interactions energy: -977.281 where: short stacking energy: -620.295 Base-Backbone interact. energy: -1.964 local terms energy: -741.209453 where: bonds (distance) C4'-P energy: -161.080 bonds (distance) P-C4' energy: -174.230 flat angles C4'-P-C4' energy: -173.889 flat angles P-C4'-P energy: -103.182 tors. eta vs tors. theta energy: -128.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1369.919605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.919605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.919605 (E_RNA) where: Base-Base interactions energy: -729.818 where: short stacking energy: -524.772 Base-Backbone interact. energy: -2.616 local terms energy: -637.486358 where: bonds (distance) C4'-P energy: -149.812 bonds (distance) P-C4' energy: -154.751 flat angles C4'-P-C4' energy: -179.150 flat angles P-C4'-P energy: -85.486 tors. eta vs tors. theta energy: -68.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1076.699420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.699420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.699420 (E_RNA) where: Base-Base interactions energy: -463.442 where: short stacking energy: -357.713 Base-Backbone interact. energy: -1.677 local terms energy: -611.579714 where: bonds (distance) C4'-P energy: -151.630 bonds (distance) P-C4' energy: -169.666 flat angles C4'-P-C4' energy: -157.156 flat angles P-C4'-P energy: -92.451 tors. eta vs tors. theta energy: -40.677 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: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1023.295853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.295853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.295853 (E_RNA) where: Base-Base interactions energy: -508.655 where: short stacking energy: -418.076 Base-Backbone interact. energy: 9.544 local terms energy: -524.184138 where: bonds (distance) C4'-P energy: -146.884 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -132.525 flat angles P-C4'-P energy: -67.672 tors. eta vs tors. theta energy: -26.307 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: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -844.287076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.287076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.287076 (E_RNA) where: Base-Base interactions energy: -340.791 where: short stacking energy: -316.412 Base-Backbone interact. energy: -0.926 local terms energy: -502.569623 where: bonds (distance) C4'-P energy: -146.185 bonds (distance) P-C4' energy: -125.573 flat angles C4'-P-C4' energy: -124.245 flat angles P-C4'-P energy: -86.612 tors. eta vs tors. theta energy: -19.954 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: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -746.256987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.256987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.256987 (E_RNA) where: Base-Base interactions energy: -297.527 where: short stacking energy: -278.043 Base-Backbone interact. energy: 3.847 local terms energy: -452.576988 where: bonds (distance) C4'-P energy: -121.074 bonds (distance) P-C4' energy: -153.700 flat angles C4'-P-C4' energy: -127.498 flat angles P-C4'-P energy: -80.324 tors. eta vs tors. theta energy: 30.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2641.353393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.353393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.353393 (E_RNA) where: Base-Base interactions energy: -1653.035 where: short stacking energy: -963.484 Base-Backbone interact. energy: -2.452 local terms energy: -985.867118 where: bonds (distance) C4'-P energy: -202.823 bonds (distance) P-C4' energy: -185.659 flat angles C4'-P-C4' energy: -212.033 flat angles P-C4'-P energy: -123.643 tors. eta vs tors. theta energy: -261.709 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: 256 Temperature: 0.950000 Total energy: -2476.086500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.086500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.086500 (E_RNA) where: Base-Base interactions energy: -1537.315 where: short stacking energy: -922.170 Base-Backbone interact. energy: 0.094 local terms energy: -938.866168 where: bonds (distance) C4'-P energy: -179.794 bonds (distance) P-C4' energy: -183.483 flat angles C4'-P-C4' energy: -209.821 flat angles P-C4'-P energy: -131.395 tors. eta vs tors. theta energy: -234.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2183.948992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.948992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.948992 (E_RNA) where: Base-Base interactions energy: -1315.259 where: short stacking energy: -809.426 Base-Backbone interact. energy: 0.757 local terms energy: -869.447106 where: bonds (distance) C4'-P energy: -181.533 bonds (distance) P-C4' energy: -169.378 flat angles C4'-P-C4' energy: -196.806 flat angles P-C4'-P energy: -126.475 tors. eta vs tors. theta energy: -195.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1964.319271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.319271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.319271 (E_RNA) where: Base-Base interactions energy: -1172.845 where: short stacking energy: -728.275 Base-Backbone interact. energy: -1.363 local terms energy: -790.110811 where: bonds (distance) C4'-P energy: -166.174 bonds (distance) P-C4' energy: -171.852 flat angles C4'-P-C4' energy: -193.044 flat angles P-C4'-P energy: -102.384 tors. eta vs tors. theta energy: -156.657 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: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1688.512047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.512047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.512047 (E_RNA) where: Base-Base interactions energy: -980.716 where: short stacking energy: -624.139 Base-Backbone interact. energy: 0.245 local terms energy: -708.041561 where: bonds (distance) C4'-P energy: -175.484 bonds (distance) P-C4' energy: -148.521 flat angles C4'-P-C4' energy: -168.475 flat angles P-C4'-P energy: -98.232 tors. eta vs tors. theta energy: -117.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1342.300941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.300941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.300941 (E_RNA) where: Base-Base interactions energy: -716.689 where: short stacking energy: -495.721 Base-Backbone interact. energy: -1.567 local terms energy: -624.044495 where: bonds (distance) C4'-P energy: -126.538 bonds (distance) P-C4' energy: -166.446 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -103.954 tors. eta vs tors. theta energy: -67.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1053.686237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.686237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.686237 (E_RNA) where: Base-Base interactions energy: -500.952 where: short stacking energy: -385.139 Base-Backbone interact. energy: 0.284 local terms energy: -553.018472 where: bonds (distance) C4'-P energy: -141.213 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -153.313 flat angles P-C4'-P energy: -84.955 tors. eta vs tors. theta energy: -17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1023.599236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.599236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.599236 (E_RNA) where: Base-Base interactions energy: -453.587 where: short stacking energy: -324.236 Base-Backbone interact. energy: 0.896 local terms energy: -570.908668 where: bonds (distance) C4'-P energy: -161.354 bonds (distance) P-C4' energy: -174.068 flat angles C4'-P-C4' energy: -142.738 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: 0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -914.963783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.963783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.963783 (E_RNA) where: Base-Base interactions energy: -376.266 where: short stacking energy: -336.791 Base-Backbone interact. energy: 2.344 local terms energy: -541.041750 where: bonds (distance) C4'-P energy: -155.930 bonds (distance) P-C4' energy: -164.783 flat angles C4'-P-C4' energy: -126.360 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -24.039 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: 256 Temperature: 1.350000 Total energy: -735.367208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.367208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.367208 (E_RNA) where: Base-Base interactions energy: -311.749 where: short stacking energy: -275.675 Base-Backbone interact. energy: 11.295 local terms energy: -434.913869 where: bonds (distance) C4'-P energy: -125.957 bonds (distance) P-C4' energy: -163.021 flat angles C4'-P-C4' energy: -123.881 flat angles P-C4'-P energy: -55.674 tors. eta vs tors. theta energy: 33.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2637.733205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.733205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.733205 (E_RNA) where: Base-Base interactions energy: -1679.131 where: short stacking energy: -990.372 Base-Backbone interact. energy: -4.533 local terms energy: -954.068757 where: bonds (distance) C4'-P energy: -166.179 bonds (distance) P-C4' energy: -165.126 flat angles C4'-P-C4' energy: -210.063 flat angles P-C4'-P energy: -130.261 tors. eta vs tors. theta energy: -282.440 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: 257 Temperature: 0.950000 Total energy: -2414.112256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.112256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.112256 (E_RNA) where: Base-Base interactions energy: -1464.310 where: short stacking energy: -905.216 Base-Backbone interact. energy: -1.085 local terms energy: -948.717273 where: bonds (distance) C4'-P energy: -185.830 bonds (distance) P-C4' energy: -186.483 flat angles C4'-P-C4' energy: -208.547 flat angles P-C4'-P energy: -133.547 tors. eta vs tors. theta energy: -234.310 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: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2219.422021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.422021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.422021 (E_RNA) where: Base-Base interactions energy: -1318.636 where: short stacking energy: -832.401 Base-Backbone interact. energy: -2.673 local terms energy: -898.113252 where: bonds (distance) C4'-P energy: -159.243 bonds (distance) P-C4' energy: -191.584 flat angles C4'-P-C4' energy: -192.353 flat angles P-C4'-P energy: -135.576 tors. eta vs tors. theta energy: -219.357 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: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1875.183753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.183753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.183753 (E_RNA) where: Base-Base interactions energy: -1107.091 where: short stacking energy: -659.575 Base-Backbone interact. energy: -4.074 local terms energy: -764.018690 where: bonds (distance) C4'-P energy: -148.607 bonds (distance) P-C4' energy: -181.880 flat angles C4'-P-C4' energy: -175.775 flat angles P-C4'-P energy: -120.394 tors. eta vs tors. theta energy: -137.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1670.429681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.429681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.429681 (E_RNA) where: Base-Base interactions energy: -955.681 where: short stacking energy: -608.353 Base-Backbone interact. energy: 4.527 local terms energy: -719.275613 where: bonds (distance) C4'-P energy: -166.679 bonds (distance) P-C4' energy: -175.041 flat angles C4'-P-C4' energy: -171.417 flat angles P-C4'-P energy: -99.518 tors. eta vs tors. theta energy: -106.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1305.800396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.800396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.800396 (E_RNA) where: Base-Base interactions energy: -677.386 where: short stacking energy: -474.629 Base-Backbone interact. energy: -2.460 local terms energy: -625.954642 where: bonds (distance) C4'-P energy: -146.213 bonds (distance) P-C4' energy: -162.364 flat angles C4'-P-C4' energy: -169.598 flat angles P-C4'-P energy: -97.358 tors. eta vs tors. theta energy: -50.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1175.968525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.968525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.968525 (E_RNA) where: Base-Base interactions energy: -576.344 where: short stacking energy: -479.007 Base-Backbone interact. energy: -1.962 local terms energy: -597.661982 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -155.747 flat angles C4'-P-C4' energy: -136.369 flat angles P-C4'-P energy: -96.543 tors. eta vs tors. theta energy: -75.979 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: 257 Temperature: 1.250000 Total energy: -1017.775825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.775825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.775825 (E_RNA) where: Base-Base interactions energy: -510.786 where: short stacking energy: -395.048 Base-Backbone interact. energy: -3.993 local terms energy: -502.996667 where: bonds (distance) C4'-P energy: -130.771 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -136.490 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: -18.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -926.816803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.816803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.816803 (E_RNA) where: Base-Base interactions energy: -404.173 where: short stacking energy: -350.177 Base-Backbone interact. energy: -1.045 local terms energy: -521.598143 where: bonds (distance) C4'-P energy: -145.624 bonds (distance) P-C4' energy: -156.086 flat angles C4'-P-C4' energy: -133.114 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -24.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -760.335179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.335179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.335179 (E_RNA) where: Base-Base interactions energy: -298.810 where: short stacking energy: -241.530 Base-Backbone interact. energy: -0.644 local terms energy: -460.880650 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -159.370 flat angles C4'-P-C4' energy: -137.925 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: 39.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2646.957830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.957830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.957830 (E_RNA) where: Base-Base interactions energy: -1691.635 where: short stacking energy: -1011.282 Base-Backbone interact. energy: -3.857 local terms energy: -951.465959 where: bonds (distance) C4'-P energy: -164.788 bonds (distance) P-C4' energy: -174.915 flat angles C4'-P-C4' energy: -197.863 flat angles P-C4'-P energy: -143.952 tors. eta vs tors. theta energy: -269.948 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: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2444.492074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.492074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.492074 (E_RNA) where: Base-Base interactions energy: -1527.038 where: short stacking energy: -929.279 Base-Backbone interact. energy: -4.438 local terms energy: -913.016696 where: bonds (distance) C4'-P energy: -165.428 bonds (distance) P-C4' energy: -172.720 flat angles C4'-P-C4' energy: -210.055 flat angles P-C4'-P energy: -125.260 tors. eta vs tors. theta energy: -239.554 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2164.360049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.360049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.360049 (E_RNA) where: Base-Base interactions energy: -1320.228 where: short stacking energy: -817.472 Base-Backbone interact. energy: -0.221 local terms energy: -843.911521 where: bonds (distance) C4'-P energy: -165.534 bonds (distance) P-C4' energy: -172.497 flat angles C4'-P-C4' energy: -182.431 flat angles P-C4'-P energy: -118.166 tors. eta vs tors. theta energy: -205.285 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: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1845.449984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.449984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.449984 (E_RNA) where: Base-Base interactions energy: -1093.358 where: short stacking energy: -675.461 Base-Backbone interact. energy: -2.489 local terms energy: -749.602126 where: bonds (distance) C4'-P energy: -159.447 bonds (distance) P-C4' energy: -161.745 flat angles C4'-P-C4' energy: -183.201 flat angles P-C4'-P energy: -107.609 tors. eta vs tors. theta energy: -137.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1632.424524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.424524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.424524 (E_RNA) where: Base-Base interactions energy: -969.469 where: short stacking energy: -601.817 Base-Backbone interact. energy: 2.470 local terms energy: -665.425594 where: bonds (distance) C4'-P energy: -155.799 bonds (distance) P-C4' energy: -161.193 flat angles C4'-P-C4' energy: -149.134 flat angles P-C4'-P energy: -102.069 tors. eta vs tors. theta energy: -97.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1358.211499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.211499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.211499 (E_RNA) where: Base-Base interactions energy: -694.097 where: short stacking energy: -484.935 Base-Backbone interact. energy: -2.130 local terms energy: -661.984497 where: bonds (distance) C4'-P energy: -161.434 bonds (distance) P-C4' energy: -191.239 flat angles C4'-P-C4' energy: -159.374 flat angles P-C4'-P energy: -91.311 tors. eta vs tors. theta energy: -58.626 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: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1091.426480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.426480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.426480 (E_RNA) where: Base-Base interactions energy: -491.275 where: short stacking energy: -425.117 Base-Backbone interact. energy: -1.914 local terms energy: -598.238285 where: bonds (distance) C4'-P energy: -135.583 bonds (distance) P-C4' energy: -162.779 flat angles C4'-P-C4' energy: -154.442 flat angles P-C4'-P energy: -93.867 tors. eta vs tors. theta energy: -51.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1088.782838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.782838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.782838 (E_RNA) where: Base-Base interactions energy: -528.481 where: short stacking energy: -391.704 Base-Backbone interact. energy: -1.307 local terms energy: -558.994764 where: bonds (distance) C4'-P energy: -143.152 bonds (distance) P-C4' energy: -169.984 flat angles C4'-P-C4' energy: -122.070 flat angles P-C4'-P energy: -75.459 tors. eta vs tors. theta energy: -48.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -848.806335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.806335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.806335 (E_RNA) where: Base-Base interactions energy: -360.208 where: short stacking energy: -299.259 Base-Backbone interact. energy: -1.552 local terms energy: -487.046955 where: bonds (distance) C4'-P energy: -134.408 bonds (distance) P-C4' energy: -154.546 flat angles C4'-P-C4' energy: -136.993 flat angles P-C4'-P energy: -55.251 tors. eta vs tors. theta energy: -5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -740.291523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.291523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.291523 (E_RNA) where: Base-Base interactions energy: -247.764 where: short stacking energy: -242.597 Base-Backbone interact. energy: 0.729 local terms energy: -493.256365 where: bonds (distance) C4'-P energy: -114.062 bonds (distance) P-C4' energy: -168.486 flat angles C4'-P-C4' energy: -148.398 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: 29.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2607.106095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.106095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.106095 (E_RNA) where: Base-Base interactions energy: -1669.600 where: short stacking energy: -998.301 Base-Backbone interact. energy: -4.256 local terms energy: -933.249836 where: bonds (distance) C4'-P energy: -156.626 bonds (distance) P-C4' energy: -180.399 flat angles C4'-P-C4' energy: -203.723 flat angles P-C4'-P energy: -136.431 tors. eta vs tors. theta energy: -256.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2432.992010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.992010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.992010 (E_RNA) where: Base-Base interactions energy: -1514.408 where: short stacking energy: -886.902 Base-Backbone interact. energy: -3.342 local terms energy: -915.242064 where: bonds (distance) C4'-P energy: -173.884 bonds (distance) P-C4' energy: -177.988 flat angles C4'-P-C4' energy: -213.190 flat angles P-C4'-P energy: -131.071 tors. eta vs tors. theta energy: -219.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2200.846036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.846036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.846036 (E_RNA) where: Base-Base interactions energy: -1316.120 where: short stacking energy: -823.808 Base-Backbone interact. energy: -0.257 local terms energy: -884.468598 where: bonds (distance) C4'-P energy: -164.788 bonds (distance) P-C4' energy: -171.682 flat angles C4'-P-C4' energy: -203.860 flat angles P-C4'-P energy: -118.345 tors. eta vs tors. theta energy: -225.793 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: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1886.405987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.405987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.405987 (E_RNA) where: Base-Base interactions energy: -1121.832 where: short stacking energy: -729.605 Base-Backbone interact. energy: -3.698 local terms energy: -760.875684 where: bonds (distance) C4'-P energy: -159.975 bonds (distance) P-C4' energy: -178.266 flat angles C4'-P-C4' energy: -163.298 flat angles P-C4'-P energy: -109.535 tors. eta vs tors. theta energy: -149.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1720.321374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.321374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.321374 (E_RNA) where: Base-Base interactions energy: -1017.243 where: short stacking energy: -610.705 Base-Backbone interact. energy: -3.439 local terms energy: -699.639213 where: bonds (distance) C4'-P energy: -143.496 bonds (distance) P-C4' energy: -173.193 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -103.746 tors. eta vs tors. theta energy: -110.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1399.900834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.900834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.900834 (E_RNA) where: Base-Base interactions energy: -752.231 where: short stacking energy: -501.166 Base-Backbone interact. energy: -2.335 local terms energy: -645.334406 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -176.684 flat angles C4'-P-C4' energy: -152.197 flat angles P-C4'-P energy: -99.590 tors. eta vs tors. theta energy: -74.252 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: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1092.901823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.901823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.901823 (E_RNA) where: Base-Base interactions energy: -512.758 where: short stacking energy: -430.085 Base-Backbone interact. energy: 6.971 local terms energy: -587.114226 where: bonds (distance) C4'-P energy: -155.244 bonds (distance) P-C4' energy: -158.454 flat angles C4'-P-C4' energy: -152.517 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -46.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1017.049327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.049327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.049327 (E_RNA) where: Base-Base interactions energy: -454.384 where: short stacking energy: -355.725 Base-Backbone interact. energy: -2.112 local terms energy: -560.553004 where: bonds (distance) C4'-P energy: -153.437 bonds (distance) P-C4' energy: -160.052 flat angles C4'-P-C4' energy: -126.440 flat angles P-C4'-P energy: -103.407 tors. eta vs tors. theta energy: -17.217 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: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -943.660787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.660787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.660787 (E_RNA) where: Base-Base interactions energy: -397.382 where: short stacking energy: -319.930 Base-Backbone interact. energy: 0.905 local terms energy: -547.184032 where: bonds (distance) C4'-P energy: -157.265 bonds (distance) P-C4' energy: -149.163 flat angles C4'-P-C4' energy: -133.260 flat angles P-C4'-P energy: -90.970 tors. eta vs tors. theta energy: -16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -743.615698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.615698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.615698 (E_RNA) where: Base-Base interactions energy: -297.174 where: short stacking energy: -237.268 Base-Backbone interact. energy: 2.501 local terms energy: -448.942298 where: bonds (distance) C4'-P energy: -134.749 bonds (distance) P-C4' energy: -140.899 flat angles C4'-P-C4' energy: -110.593 flat angles P-C4'-P energy: -89.187 tors. eta vs tors. theta energy: 26.486 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: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2638.151372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.151372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.151372 (E_RNA) where: Base-Base interactions energy: -1672.265 where: short stacking energy: -1012.355 Base-Backbone interact. energy: -6.270 local terms energy: -959.616594 where: bonds (distance) C4'-P energy: -180.515 bonds (distance) P-C4' energy: -181.039 flat angles C4'-P-C4' energy: -195.225 flat angles P-C4'-P energy: -141.034 tors. eta vs tors. theta energy: -261.803 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: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2449.521723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.521723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.521723 (E_RNA) where: Base-Base interactions energy: -1544.988 where: short stacking energy: -930.985 Base-Backbone interact. energy: 6.311 local terms energy: -910.845206 where: bonds (distance) C4'-P energy: -170.453 bonds (distance) P-C4' energy: -179.933 flat angles C4'-P-C4' energy: -190.991 flat angles P-C4'-P energy: -129.558 tors. eta vs tors. theta energy: -239.910 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: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2248.474151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.474151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.474151 (E_RNA) where: Base-Base interactions energy: -1354.044 where: short stacking energy: -858.902 Base-Backbone interact. energy: -2.335 local terms energy: -892.094698 where: bonds (distance) C4'-P energy: -174.995 bonds (distance) P-C4' energy: -174.353 flat angles C4'-P-C4' energy: -205.834 flat angles P-C4'-P energy: -125.755 tors. eta vs tors. theta energy: -211.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1834.736396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.736396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.736396 (E_RNA) where: Base-Base interactions energy: -1067.809 where: short stacking energy: -715.327 Base-Backbone interact. energy: -1.891 local terms energy: -765.036843 where: bonds (distance) C4'-P energy: -160.842 bonds (distance) P-C4' energy: -156.872 flat angles C4'-P-C4' energy: -169.444 flat angles P-C4'-P energy: -124.498 tors. eta vs tors. theta energy: -153.380 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: 260 Temperature: 1.100000 Total energy: -1732.780946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.780946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.780946 (E_RNA) where: Base-Base interactions energy: -939.684 where: short stacking energy: -612.712 Base-Backbone interact. energy: -1.565 local terms energy: -791.532076 where: bonds (distance) C4'-P energy: -176.733 bonds (distance) P-C4' energy: -185.536 flat angles C4'-P-C4' energy: -174.158 flat angles P-C4'-P energy: -112.165 tors. eta vs tors. theta energy: -142.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1400.189064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.189064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.189064 (E_RNA) where: Base-Base interactions energy: -763.073 where: short stacking energy: -548.194 Base-Backbone interact. energy: 3.072 local terms energy: -640.187503 where: bonds (distance) C4'-P energy: -148.370 bonds (distance) P-C4' energy: -167.923 flat angles C4'-P-C4' energy: -156.107 flat angles P-C4'-P energy: -83.495 tors. eta vs tors. theta energy: -84.293 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: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1132.460755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.460755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.460755 (E_RNA) where: Base-Base interactions energy: -526.086 where: short stacking energy: -425.615 Base-Backbone interact. energy: 0.976 local terms energy: -607.350638 where: bonds (distance) C4'-P energy: -157.699 bonds (distance) P-C4' energy: -155.974 flat angles C4'-P-C4' energy: -153.266 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -41.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1025.857586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.857586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.857586 (E_RNA) where: Base-Base interactions energy: -500.927 where: short stacking energy: -393.621 Base-Backbone interact. energy: 1.074 local terms energy: -526.004589 where: bonds (distance) C4'-P energy: -152.646 bonds (distance) P-C4' energy: -138.429 flat angles C4'-P-C4' energy: -119.154 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: -24.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -856.991809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.991809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.991809 (E_RNA) where: Base-Base interactions energy: -378.712 where: short stacking energy: -325.223 Base-Backbone interact. energy: -0.185 local terms energy: -478.094958 where: bonds (distance) C4'-P energy: -154.279 bonds (distance) P-C4' energy: -140.041 flat angles C4'-P-C4' energy: -124.664 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: 1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -760.527379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.527379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.527379 (E_RNA) where: Base-Base interactions energy: -279.101 where: short stacking energy: -261.151 Base-Backbone interact. energy: 9.224 local terms energy: -490.650582 where: bonds (distance) C4'-P energy: -147.360 bonds (distance) P-C4' energy: -148.706 flat angles C4'-P-C4' energy: -141.228 flat angles P-C4'-P energy: -58.885 tors. eta vs tors. theta energy: 5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2621.396133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.396133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.396133 (E_RNA) where: Base-Base interactions energy: -1626.294 where: short stacking energy: -971.801 Base-Backbone interact. energy: -5.830 local terms energy: -989.271390 where: bonds (distance) C4'-P energy: -185.791 bonds (distance) P-C4' energy: -192.144 flat angles C4'-P-C4' energy: -216.730 flat angles P-C4'-P energy: -136.354 tors. eta vs tors. theta energy: -258.252 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: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2460.370224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.370224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.370224 (E_RNA) where: Base-Base interactions energy: -1550.006 where: short stacking energy: -905.620 Base-Backbone interact. energy: -4.704 local terms energy: -905.660659 where: bonds (distance) C4'-P energy: -153.792 bonds (distance) P-C4' energy: -201.527 flat angles C4'-P-C4' energy: -206.849 flat angles P-C4'-P energy: -115.104 tors. eta vs tors. theta energy: -228.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2221.665714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.665714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.665714 (E_RNA) where: Base-Base interactions energy: -1333.055 where: short stacking energy: -844.254 Base-Backbone interact. energy: -2.707 local terms energy: -885.903545 where: bonds (distance) C4'-P energy: -170.533 bonds (distance) P-C4' energy: -184.646 flat angles C4'-P-C4' energy: -192.096 flat angles P-C4'-P energy: -133.985 tors. eta vs tors. theta energy: -204.643 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: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1849.633257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.633257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.633257 (E_RNA) where: Base-Base interactions energy: -1078.206 where: short stacking energy: -701.250 Base-Backbone interact. energy: -1.414 local terms energy: -770.013613 where: bonds (distance) C4'-P energy: -163.642 bonds (distance) P-C4' energy: -153.110 flat angles C4'-P-C4' energy: -182.485 flat angles P-C4'-P energy: -111.665 tors. eta vs tors. theta energy: -159.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1657.876900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.876900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.876900 (E_RNA) where: Base-Base interactions energy: -953.385 where: short stacking energy: -615.754 Base-Backbone interact. energy: 0.245 local terms energy: -704.736941 where: bonds (distance) C4'-P energy: -142.537 bonds (distance) P-C4' energy: -178.933 flat angles C4'-P-C4' energy: -153.744 flat angles P-C4'-P energy: -107.613 tors. eta vs tors. theta energy: -121.910 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: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1351.799323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.799323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.799323 (E_RNA) where: Base-Base interactions energy: -698.096 where: short stacking energy: -516.145 Base-Backbone interact. energy: -0.163 local terms energy: -653.540095 where: bonds (distance) C4'-P energy: -156.892 bonds (distance) P-C4' energy: -170.030 flat angles C4'-P-C4' energy: -158.540 flat angles P-C4'-P energy: -98.984 tors. eta vs tors. theta energy: -69.095 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: 261 Temperature: 1.200000 Total energy: -1113.472034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.472034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.472034 (E_RNA) where: Base-Base interactions energy: -521.613 where: short stacking energy: -398.547 Base-Backbone interact. energy: 2.823 local terms energy: -594.682283 where: bonds (distance) C4'-P energy: -150.857 bonds (distance) P-C4' energy: -167.030 flat angles C4'-P-C4' energy: -150.124 flat angles P-C4'-P energy: -80.202 tors. eta vs tors. theta energy: -46.470 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: 261 Temperature: 1.250000 Total energy: -949.502176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.502176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.502176 (E_RNA) where: Base-Base interactions energy: -427.834 where: short stacking energy: -339.674 Base-Backbone interact. energy: -5.846 local terms energy: -515.822316 where: bonds (distance) C4'-P energy: -127.795 bonds (distance) P-C4' energy: -161.748 flat angles C4'-P-C4' energy: -134.801 flat angles P-C4'-P energy: -75.405 tors. eta vs tors. theta energy: -16.073 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: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -830.809894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.809894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.809894 (E_RNA) where: Base-Base interactions energy: -316.243 where: short stacking energy: -279.352 Base-Backbone interact. energy: 1.410 local terms energy: -515.976186 where: bonds (distance) C4'-P energy: -143.157 bonds (distance) P-C4' energy: -176.802 flat angles C4'-P-C4' energy: -128.615 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: 8.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -768.133935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.133935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.133935 (E_RNA) where: Base-Base interactions energy: -305.863 where: short stacking energy: -266.034 Base-Backbone interact. energy: 2.575 local terms energy: -464.845734 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -136.968 flat angles P-C4'-P energy: -70.364 tors. eta vs tors. theta energy: 1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2622.549842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.549842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.549842 (E_RNA) where: Base-Base interactions energy: -1647.577 where: short stacking energy: -968.856 Base-Backbone interact. energy: -3.285 local terms energy: -971.687459 where: bonds (distance) C4'-P energy: -192.940 bonds (distance) P-C4' energy: -180.368 flat angles C4'-P-C4' energy: -207.305 flat angles P-C4'-P energy: -131.848 tors. eta vs tors. theta energy: -259.226 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: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2467.663514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.663514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.663514 (E_RNA) where: Base-Base interactions energy: -1566.987 where: short stacking energy: -902.024 Base-Backbone interact. energy: -0.496 local terms energy: -900.179727 where: bonds (distance) C4'-P energy: -147.057 bonds (distance) P-C4' energy: -183.729 flat angles C4'-P-C4' energy: -211.120 flat angles P-C4'-P energy: -129.991 tors. eta vs tors. theta energy: -228.283 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: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2223.754322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.754322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.754322 (E_RNA) where: Base-Base interactions energy: -1347.047 where: short stacking energy: -817.800 Base-Backbone interact. energy: -1.927 local terms energy: -874.779858 where: bonds (distance) C4'-P energy: -176.540 bonds (distance) P-C4' energy: -175.894 flat angles C4'-P-C4' energy: -192.972 flat angles P-C4'-P energy: -126.749 tors. eta vs tors. theta energy: -202.625 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: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1824.191405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.191405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.191405 (E_RNA) where: Base-Base interactions energy: -1029.559 where: short stacking energy: -675.941 Base-Backbone interact. energy: -2.662 local terms energy: -791.970430 where: bonds (distance) C4'-P energy: -162.942 bonds (distance) P-C4' energy: -158.319 flat angles C4'-P-C4' energy: -201.596 flat angles P-C4'-P energy: -122.598 tors. eta vs tors. theta energy: -146.516 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: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1630.515446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.515446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.515446 (E_RNA) where: Base-Base interactions energy: -913.312 where: short stacking energy: -614.484 Base-Backbone interact. energy: -0.387 local terms energy: -716.816265 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -149.603 flat angles C4'-P-C4' energy: -174.465 flat angles P-C4'-P energy: -100.590 tors. eta vs tors. theta energy: -115.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1403.008934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.008934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.008934 (E_RNA) where: Base-Base interactions energy: -750.698 where: short stacking energy: -516.069 Base-Backbone interact. energy: -5.555 local terms energy: -646.755450 where: bonds (distance) C4'-P energy: -158.936 bonds (distance) P-C4' energy: -169.261 flat angles C4'-P-C4' energy: -156.738 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -70.684 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: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1129.429043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.429043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.429043 (E_RNA) where: Base-Base interactions energy: -537.845 where: short stacking energy: -408.258 Base-Backbone interact. energy: 7.998 local terms energy: -599.582272 where: bonds (distance) C4'-P energy: -142.880 bonds (distance) P-C4' energy: -181.956 flat angles C4'-P-C4' energy: -155.960 flat angles P-C4'-P energy: -75.725 tors. eta vs tors. theta energy: -43.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -959.385421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.385421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.385421 (E_RNA) where: Base-Base interactions energy: -438.138 where: short stacking energy: -320.645 Base-Backbone interact. energy: -1.430 local terms energy: -519.817257 where: bonds (distance) C4'-P energy: -153.823 bonds (distance) P-C4' energy: -137.078 flat angles C4'-P-C4' energy: -150.822 flat angles P-C4'-P energy: -73.504 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -860.293152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.293152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.293152 (E_RNA) where: Base-Base interactions energy: -388.616 where: short stacking energy: -333.784 Base-Backbone interact. energy: 2.580 local terms energy: -474.257161 where: bonds (distance) C4'-P energy: -129.111 bonds (distance) P-C4' energy: -135.389 flat angles C4'-P-C4' energy: -128.216 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -15.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -793.936797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.936797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.936797 (E_RNA) where: Base-Base interactions energy: -315.329 where: short stacking energy: -256.393 Base-Backbone interact. energy: 1.829 local terms energy: -480.436847 where: bonds (distance) C4'-P energy: -144.951 bonds (distance) P-C4' energy: -157.491 flat angles C4'-P-C4' energy: -136.909 flat angles P-C4'-P energy: -70.810 tors. eta vs tors. theta energy: 29.724 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: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2595.727175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.727175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.727175 (E_RNA) where: Base-Base interactions energy: -1647.373 where: short stacking energy: -965.158 Base-Backbone interact. energy: -2.640 local terms energy: -945.714473 where: bonds (distance) C4'-P energy: -181.091 bonds (distance) P-C4' energy: -179.279 flat angles C4'-P-C4' energy: -207.250 flat angles P-C4'-P energy: -129.645 tors. eta vs tors. theta energy: -248.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2445.878043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.878043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.878043 (E_RNA) where: Base-Base interactions energy: -1523.140 where: short stacking energy: -905.198 Base-Backbone interact. energy: -5.992 local terms energy: -916.745480 where: bonds (distance) C4'-P energy: -170.895 bonds (distance) P-C4' energy: -177.654 flat angles C4'-P-C4' energy: -205.068 flat angles P-C4'-P energy: -129.013 tors. eta vs tors. theta energy: -234.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2194.200989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.200989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.200989 (E_RNA) where: Base-Base interactions energy: -1320.915 where: short stacking energy: -840.571 Base-Backbone interact. energy: -2.015 local terms energy: -871.271164 where: bonds (distance) C4'-P energy: -160.410 bonds (distance) P-C4' energy: -185.316 flat angles C4'-P-C4' energy: -197.442 flat angles P-C4'-P energy: -109.654 tors. eta vs tors. theta energy: -218.449 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: 263 Temperature: 1.050000 Total energy: -1842.148721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.148721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.148721 (E_RNA) where: Base-Base interactions energy: -1059.110 where: short stacking energy: -674.777 Base-Backbone interact. energy: -2.535 local terms energy: -780.503295 where: bonds (distance) C4'-P energy: -172.109 bonds (distance) P-C4' energy: -174.623 flat angles C4'-P-C4' energy: -180.585 flat angles P-C4'-P energy: -112.079 tors. eta vs tors. theta energy: -141.107 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: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1595.194616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.194616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.194616 (E_RNA) where: Base-Base interactions energy: -876.966 where: short stacking energy: -577.216 Base-Backbone interact. energy: 0.429 local terms energy: -718.657794 where: bonds (distance) C4'-P energy: -152.516 bonds (distance) P-C4' energy: -176.124 flat angles C4'-P-C4' energy: -191.089 flat angles P-C4'-P energy: -101.516 tors. eta vs tors. theta energy: -97.412 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: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1420.630551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.630551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.630551 (E_RNA) where: Base-Base interactions energy: -755.721 where: short stacking energy: -512.209 Base-Backbone interact. energy: -0.803 local terms energy: -664.106314 where: bonds (distance) C4'-P energy: -161.078 bonds (distance) P-C4' energy: -174.373 flat angles C4'-P-C4' energy: -157.846 flat angles P-C4'-P energy: -94.311 tors. eta vs tors. theta energy: -76.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1119.429287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.429287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.429287 (E_RNA) where: Base-Base interactions energy: -527.800 where: short stacking energy: -403.566 Base-Backbone interact. energy: 0.030 local terms energy: -591.658493 where: bonds (distance) C4'-P energy: -157.868 bonds (distance) P-C4' energy: -151.210 flat angles C4'-P-C4' energy: -144.260 flat angles P-C4'-P energy: -103.469 tors. eta vs tors. theta energy: -34.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -944.958172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.958172 (E_RNA) where: Base-Base interactions energy: -417.323 where: short stacking energy: -347.351 Base-Backbone interact. energy: 5.127 local terms energy: -532.762484 where: bonds (distance) C4'-P energy: -147.350 bonds (distance) P-C4' energy: -151.954 flat angles C4'-P-C4' energy: -147.067 flat angles P-C4'-P energy: -85.182 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -828.165870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.165870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.165870 (E_RNA) where: Base-Base interactions energy: -350.405 where: short stacking energy: -306.174 Base-Backbone interact. energy: 0.708 local terms energy: -478.468920 where: bonds (distance) C4'-P energy: -128.996 bonds (distance) P-C4' energy: -167.023 flat angles C4'-P-C4' energy: -122.516 flat angles P-C4'-P energy: -79.776 tors. eta vs tors. theta energy: 19.843 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: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -738.692124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.692124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.692124 (E_RNA) where: Base-Base interactions energy: -269.319 where: short stacking energy: -251.474 Base-Backbone interact. energy: -0.988 local terms energy: -468.385087 where: bonds (distance) C4'-P energy: -143.745 bonds (distance) P-C4' energy: -144.423 flat angles C4'-P-C4' energy: -109.000 flat angles P-C4'-P energy: -87.180 tors. eta vs tors. theta energy: 15.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2621.305489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.305489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.305489 (E_RNA) where: Base-Base interactions energy: -1668.395 where: short stacking energy: -963.126 Base-Backbone interact. energy: -3.758 local terms energy: -949.151971 where: bonds (distance) C4'-P energy: -181.852 bonds (distance) P-C4' energy: -202.797 flat angles C4'-P-C4' energy: -191.454 flat angles P-C4'-P energy: -130.178 tors. eta vs tors. theta energy: -242.871 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: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2509.917613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.917613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.917613 (E_RNA) where: Base-Base interactions energy: -1572.224 where: short stacking energy: -922.070 Base-Backbone interact. energy: -7.020 local terms energy: -930.673808 where: bonds (distance) C4'-P energy: -184.414 bonds (distance) P-C4' energy: -183.253 flat angles C4'-P-C4' energy: -194.036 flat angles P-C4'-P energy: -139.936 tors. eta vs tors. theta energy: -229.035 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: 264 Temperature: 1.000000 Total energy: -2142.686435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.686435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.686435 (E_RNA) where: Base-Base interactions energy: -1329.557 where: short stacking energy: -794.192 Base-Backbone interact. energy: -7.849 local terms energy: -805.280826 where: bonds (distance) C4'-P energy: -149.543 bonds (distance) P-C4' energy: -169.378 flat angles C4'-P-C4' energy: -186.837 flat angles P-C4'-P energy: -120.443 tors. eta vs tors. theta energy: -179.080 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: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1826.709336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.709336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.709336 (E_RNA) where: Base-Base interactions energy: -1046.900 where: short stacking energy: -654.145 Base-Backbone interact. energy: 0.636 local terms energy: -780.445114 where: bonds (distance) C4'-P energy: -174.803 bonds (distance) P-C4' energy: -171.289 flat angles C4'-P-C4' energy: -164.374 flat angles P-C4'-P energy: -126.107 tors. eta vs tors. theta energy: -143.873 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: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1672.403561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.403561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.403561 (E_RNA) where: Base-Base interactions energy: -934.577 where: short stacking energy: -585.885 Base-Backbone interact. energy: 3.023 local terms energy: -740.849960 where: bonds (distance) C4'-P energy: -161.561 bonds (distance) P-C4' energy: -178.467 flat angles C4'-P-C4' energy: -174.413 flat angles P-C4'-P energy: -105.822 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: 6, replica: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1348.864949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.864949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.864949 (E_RNA) where: Base-Base interactions energy: -727.066 where: short stacking energy: -524.292 Base-Backbone interact. energy: 4.526 local terms energy: -626.324375 where: bonds (distance) C4'-P energy: -149.246 bonds (distance) P-C4' energy: -165.577 flat angles C4'-P-C4' energy: -144.748 flat angles P-C4'-P energy: -106.103 tors. eta vs tors. theta energy: -60.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1158.967737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.967737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.967737 (E_RNA) where: Base-Base interactions energy: -519.242 where: short stacking energy: -386.719 Base-Backbone interact. energy: 1.085 local terms energy: -640.810905 where: bonds (distance) C4'-P energy: -174.201 bonds (distance) P-C4' energy: -163.364 flat angles C4'-P-C4' energy: -162.030 flat angles P-C4'-P energy: -100.210 tors. eta vs tors. theta energy: -41.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -932.862399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.862399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.862399 (E_RNA) where: Base-Base interactions energy: -349.605 where: short stacking energy: -314.279 Base-Backbone interact. energy: -5.750 local terms energy: -577.507653 where: bonds (distance) C4'-P energy: -149.755 bonds (distance) P-C4' energy: -173.243 flat angles C4'-P-C4' energy: -144.155 flat angles P-C4'-P energy: -93.835 tors. eta vs tors. theta energy: -16.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -874.051674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.051674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.051674 (E_RNA) where: Base-Base interactions energy: -386.156 where: short stacking energy: -297.536 Base-Backbone interact. energy: -2.145 local terms energy: -485.749932 where: bonds (distance) C4'-P energy: -146.093 bonds (distance) P-C4' energy: -143.788 flat angles C4'-P-C4' energy: -118.630 flat angles P-C4'-P energy: -82.785 tors. eta vs tors. theta energy: 5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -765.131036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.131036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.131036 (E_RNA) where: Base-Base interactions energy: -278.249 where: short stacking energy: -257.971 Base-Backbone interact. energy: 3.080 local terms energy: -489.962493 where: bonds (distance) C4'-P energy: -126.833 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -137.751 flat angles P-C4'-P energy: -77.758 tors. eta vs tors. theta energy: 17.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2645.817457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.817457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.817457 (E_RNA) where: Base-Base interactions energy: -1680.318 where: short stacking energy: -972.117 Base-Backbone interact. energy: -1.146 local terms energy: -964.353312 where: bonds (distance) C4'-P energy: -180.708 bonds (distance) P-C4' energy: -188.628 flat angles C4'-P-C4' energy: -204.734 flat angles P-C4'-P energy: -134.990 tors. eta vs tors. theta energy: -255.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2473.481192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.481192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.481192 (E_RNA) where: Base-Base interactions energy: -1556.516 where: short stacking energy: -940.340 Base-Backbone interact. energy: -4.439 local terms energy: -912.526765 where: bonds (distance) C4'-P energy: -173.525 bonds (distance) P-C4' energy: -179.165 flat angles C4'-P-C4' energy: -192.217 flat angles P-C4'-P energy: -122.162 tors. eta vs tors. theta energy: -245.458 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: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2094.405272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.405272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.405272 (E_RNA) where: Base-Base interactions energy: -1248.536 where: short stacking energy: -756.376 Base-Backbone interact. energy: -2.261 local terms energy: -843.608836 where: bonds (distance) C4'-P energy: -168.804 bonds (distance) P-C4' energy: -185.722 flat angles C4'-P-C4' energy: -200.266 flat angles P-C4'-P energy: -118.929 tors. eta vs tors. theta energy: -169.889 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: 265 Temperature: 1.050000 Total energy: -1887.637001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.637001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.637001 (E_RNA) where: Base-Base interactions energy: -1103.172 where: short stacking energy: -725.297 Base-Backbone interact. energy: -2.455 local terms energy: -782.010285 where: bonds (distance) C4'-P energy: -153.442 bonds (distance) P-C4' energy: -177.845 flat angles C4'-P-C4' energy: -174.023 flat angles P-C4'-P energy: -120.575 tors. eta vs tors. theta energy: -156.125 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: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1641.025845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.025845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.025845 (E_RNA) where: Base-Base interactions energy: -943.389 where: short stacking energy: -604.928 Base-Backbone interact. energy: -1.219 local terms energy: -696.418066 where: bonds (distance) C4'-P energy: -155.983 bonds (distance) P-C4' energy: -160.933 flat angles C4'-P-C4' energy: -170.227 flat angles P-C4'-P energy: -97.801 tors. eta vs tors. theta energy: -111.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1375.609586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.609586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.609586 (E_RNA) where: Base-Base interactions energy: -742.646 where: short stacking energy: -554.455 Base-Backbone interact. energy: 9.454 local terms energy: -642.417280 where: bonds (distance) C4'-P energy: -141.578 bonds (distance) P-C4' energy: -160.597 flat angles C4'-P-C4' energy: -154.023 flat angles P-C4'-P energy: -104.937 tors. eta vs tors. theta energy: -81.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1142.444586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.444586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.444586 (E_RNA) where: Base-Base interactions energy: -539.329 where: short stacking energy: -420.354 Base-Backbone interact. energy: -2.742 local terms energy: -600.373994 where: bonds (distance) C4'-P energy: -144.009 bonds (distance) P-C4' energy: -162.337 flat angles C4'-P-C4' energy: -165.634 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -53.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -900.036226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.036226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.036226 (E_RNA) where: Base-Base interactions energy: -380.307 where: short stacking energy: -345.713 Base-Backbone interact. energy: -3.062 local terms energy: -516.667264 where: bonds (distance) C4'-P energy: -139.831 bonds (distance) P-C4' energy: -164.803 flat angles C4'-P-C4' energy: -140.762 flat angles P-C4'-P energy: -79.115 tors. eta vs tors. theta energy: 7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -814.375691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.375691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.375691 (E_RNA) where: Base-Base interactions energy: -321.187 where: short stacking energy: -268.948 Base-Backbone interact. energy: 3.538 local terms energy: -496.727564 where: bonds (distance) C4'-P energy: -130.639 bonds (distance) P-C4' energy: -159.052 flat angles C4'-P-C4' energy: -130.268 flat angles P-C4'-P energy: -97.830 tors. eta vs tors. theta energy: 21.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -812.196096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.196096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.196096 (E_RNA) where: Base-Base interactions energy: -336.255 where: short stacking energy: -283.945 Base-Backbone interact. energy: -1.837 local terms energy: -474.103457 where: bonds (distance) C4'-P energy: -138.880 bonds (distance) P-C4' energy: -144.433 flat angles C4'-P-C4' energy: -129.255 flat angles P-C4'-P energy: -68.346 tors. eta vs tors. theta energy: 6.810 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2615.003811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.003811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.003811 (E_RNA) where: Base-Base interactions energy: -1653.723 where: short stacking energy: -988.560 Base-Backbone interact. energy: -4.356 local terms energy: -956.924395 where: bonds (distance) C4'-P energy: -169.720 bonds (distance) P-C4' energy: -188.103 flat angles C4'-P-C4' energy: -211.167 flat angles P-C4'-P energy: -127.137 tors. eta vs tors. theta energy: -260.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2427.955368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.955368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.955368 (E_RNA) where: Base-Base interactions energy: -1527.528 where: short stacking energy: -942.108 Base-Backbone interact. energy: -2.809 local terms energy: -897.618408 where: bonds (distance) C4'-P energy: -172.966 bonds (distance) P-C4' energy: -161.684 flat angles C4'-P-C4' energy: -188.351 flat angles P-C4'-P energy: -146.625 tors. eta vs tors. theta energy: -227.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2178.366315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.366315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.366315 (E_RNA) where: Base-Base interactions energy: -1336.729 where: short stacking energy: -799.854 Base-Backbone interact. energy: -5.135 local terms energy: -836.502257 where: bonds (distance) C4'-P energy: -169.602 bonds (distance) P-C4' energy: -161.240 flat angles C4'-P-C4' energy: -177.474 flat angles P-C4'-P energy: -131.217 tors. eta vs tors. theta energy: -196.969 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1851.495499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.495499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.495499 (E_RNA) where: Base-Base interactions energy: -1081.628 where: short stacking energy: -647.270 Base-Backbone interact. energy: -1.337 local terms energy: -768.530495 where: bonds (distance) C4'-P energy: -164.901 bonds (distance) P-C4' energy: -171.335 flat angles C4'-P-C4' energy: -189.163 flat angles P-C4'-P energy: -111.859 tors. eta vs tors. theta energy: -131.273 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: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1726.830131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.830131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.830131 (E_RNA) where: Base-Base interactions energy: -1005.598 where: short stacking energy: -635.474 Base-Backbone interact. energy: -1.757 local terms energy: -719.475512 where: bonds (distance) C4'-P energy: -158.431 bonds (distance) P-C4' energy: -171.626 flat angles C4'-P-C4' energy: -162.127 flat angles P-C4'-P energy: -98.756 tors. eta vs tors. theta energy: -128.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1257.040997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.040997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.040997 (E_RNA) where: Base-Base interactions energy: -590.743 where: short stacking energy: -455.218 Base-Backbone interact. energy: -0.098 local terms energy: -666.200057 where: bonds (distance) C4'-P energy: -168.548 bonds (distance) P-C4' energy: -181.153 flat angles C4'-P-C4' energy: -166.698 flat angles P-C4'-P energy: -98.897 tors. eta vs tors. theta energy: -50.904 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: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1091.799717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.799717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.799717 (E_RNA) where: Base-Base interactions energy: -543.095 where: short stacking energy: -396.656 Base-Backbone interact. energy: 1.707 local terms energy: -550.411954 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -136.991 flat angles C4'-P-C4' energy: -152.681 flat angles P-C4'-P energy: -101.797 tors. eta vs tors. theta energy: -19.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -911.686794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.686794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.686794 (E_RNA) where: Base-Base interactions energy: -407.827 where: short stacking energy: -322.163 Base-Backbone interact. energy: -0.522 local terms energy: -503.337382 where: bonds (distance) C4'-P energy: -139.644 bonds (distance) P-C4' energy: -164.533 flat angles C4'-P-C4' energy: -122.027 flat angles P-C4'-P energy: -81.562 tors. eta vs tors. theta energy: 4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -830.809529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.809529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.809529 (E_RNA) where: Base-Base interactions energy: -326.901 where: short stacking energy: -305.751 Base-Backbone interact. energy: -1.282 local terms energy: -502.626767 where: bonds (distance) C4'-P energy: -141.311 bonds (distance) P-C4' energy: -154.244 flat angles C4'-P-C4' energy: -160.819 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: 9.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -739.912592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.912592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.912592 (E_RNA) where: Base-Base interactions energy: -261.783 where: short stacking energy: -208.379 Base-Backbone interact. energy: 2.086 local terms energy: -480.215627 where: bonds (distance) C4'-P energy: -150.592 bonds (distance) P-C4' energy: -155.348 flat angles C4'-P-C4' energy: -142.795 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: 47.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2539.930655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.930655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.930655 (E_RNA) where: Base-Base interactions energy: -1596.780 where: short stacking energy: -919.470 Base-Backbone interact. energy: -5.228 local terms energy: -937.922281 where: bonds (distance) C4'-P energy: -163.262 bonds (distance) P-C4' energy: -179.467 flat angles C4'-P-C4' energy: -209.603 flat angles P-C4'-P energy: -142.797 tors. eta vs tors. theta energy: -242.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2394.849081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.849081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.849081 (E_RNA) where: Base-Base interactions energy: -1537.419 where: short stacking energy: -917.397 Base-Backbone interact. energy: -4.653 local terms energy: -852.776768 where: bonds (distance) C4'-P energy: -167.034 bonds (distance) P-C4' energy: -154.616 flat angles C4'-P-C4' energy: -200.092 flat angles P-C4'-P energy: -106.536 tors. eta vs tors. theta energy: -224.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2147.392668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.392668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.392668 (E_RNA) where: Base-Base interactions energy: -1292.665 where: short stacking energy: -826.184 Base-Backbone interact. energy: -5.138 local terms energy: -849.589655 where: bonds (distance) C4'-P energy: -148.145 bonds (distance) P-C4' energy: -185.727 flat angles C4'-P-C4' energy: -193.321 flat angles P-C4'-P energy: -129.913 tors. eta vs tors. theta energy: -192.485 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: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1924.991901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.991901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.991901 (E_RNA) where: Base-Base interactions energy: -1110.829 where: short stacking energy: -732.757 Base-Backbone interact. energy: -0.262 local terms energy: -813.900792 where: bonds (distance) C4'-P energy: -156.997 bonds (distance) P-C4' energy: -173.277 flat angles C4'-P-C4' energy: -184.870 flat angles P-C4'-P energy: -127.330 tors. eta vs tors. theta energy: -171.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1772.180463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.180463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.180463 (E_RNA) where: Base-Base interactions energy: -1067.035 where: short stacking energy: -643.040 Base-Backbone interact. energy: -4.490 local terms energy: -700.656046 where: bonds (distance) C4'-P energy: -138.500 bonds (distance) P-C4' energy: -163.818 flat angles C4'-P-C4' energy: -159.339 flat angles P-C4'-P energy: -110.031 tors. eta vs tors. theta energy: -128.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1319.679265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.679265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.679265 (E_RNA) where: Base-Base interactions energy: -662.233 where: short stacking energy: -466.654 Base-Backbone interact. energy: 1.113 local terms energy: -658.559153 where: bonds (distance) C4'-P energy: -168.889 bonds (distance) P-C4' energy: -169.347 flat angles C4'-P-C4' energy: -161.955 flat angles P-C4'-P energy: -90.407 tors. eta vs tors. theta energy: -67.961 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: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1132.354910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.354910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.354910 (E_RNA) where: Base-Base interactions energy: -565.097 where: short stacking energy: -409.424 Base-Backbone interact. energy: 0.352 local terms energy: -567.610362 where: bonds (distance) C4'-P energy: -148.894 bonds (distance) P-C4' energy: -166.434 flat angles C4'-P-C4' energy: -140.974 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -22.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -916.074098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.074098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.074098 (E_RNA) where: Base-Base interactions energy: -410.707 where: short stacking energy: -340.882 Base-Backbone interact. energy: 2.488 local terms energy: -507.855705 where: bonds (distance) C4'-P energy: -148.843 bonds (distance) P-C4' energy: -145.594 flat angles C4'-P-C4' energy: -128.698 flat angles P-C4'-P energy: -83.828 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -825.544799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.544799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.544799 (E_RNA) where: Base-Base interactions energy: -361.452 where: short stacking energy: -305.069 Base-Backbone interact. energy: 0.607 local terms energy: -464.699609 where: bonds (distance) C4'-P energy: -137.608 bonds (distance) P-C4' energy: -131.610 flat angles C4'-P-C4' energy: -122.725 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: 6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -750.716463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.716463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.716463 (E_RNA) where: Base-Base interactions energy: -294.735 where: short stacking energy: -248.852 Base-Backbone interact. energy: 6.527 local terms energy: -462.508299 where: bonds (distance) C4'-P energy: -137.917 bonds (distance) P-C4' energy: -174.065 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -55.678 tors. eta vs tors. theta energy: 27.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2553.663056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.663056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.663056 (E_RNA) where: Base-Base interactions energy: -1612.358 where: short stacking energy: -961.972 Base-Backbone interact. energy: -2.795 local terms energy: -938.510381 where: bonds (distance) C4'-P energy: -175.533 bonds (distance) P-C4' energy: -181.943 flat angles C4'-P-C4' energy: -213.560 flat angles P-C4'-P energy: -134.316 tors. eta vs tors. theta energy: -233.158 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: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2356.125015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.125015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.125015 (E_RNA) where: Base-Base interactions energy: -1466.099 where: short stacking energy: -869.872 Base-Backbone interact. energy: -3.743 local terms energy: -886.282825 where: bonds (distance) C4'-P energy: -194.211 bonds (distance) P-C4' energy: -169.950 flat angles C4'-P-C4' energy: -200.793 flat angles P-C4'-P energy: -119.234 tors. eta vs tors. theta energy: -202.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2116.587793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.587793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.587793 (E_RNA) where: Base-Base interactions energy: -1286.416 where: short stacking energy: -805.291 Base-Backbone interact. energy: -8.226 local terms energy: -821.945584 where: bonds (distance) C4'-P energy: -165.780 bonds (distance) P-C4' energy: -164.165 flat angles C4'-P-C4' energy: -199.193 flat angles P-C4'-P energy: -118.194 tors. eta vs tors. theta energy: -174.614 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: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1887.169036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.169036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.169036 (E_RNA) where: Base-Base interactions energy: -1095.901 where: short stacking energy: -724.458 Base-Backbone interact. energy: 0.255 local terms energy: -791.522590 where: bonds (distance) C4'-P energy: -155.695 bonds (distance) P-C4' energy: -168.130 flat angles C4'-P-C4' energy: -186.628 flat angles P-C4'-P energy: -105.202 tors. eta vs tors. theta energy: -175.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1773.322706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.322706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.322706 (E_RNA) where: Base-Base interactions energy: -1045.014 where: short stacking energy: -670.557 Base-Backbone interact. energy: 1.378 local terms energy: -729.686477 where: bonds (distance) C4'-P energy: -148.479 bonds (distance) P-C4' energy: -175.719 flat angles C4'-P-C4' energy: -165.380 flat angles P-C4'-P energy: -107.134 tors. eta vs tors. theta energy: -132.974 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: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1356.134221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.134221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.134221 (E_RNA) where: Base-Base interactions energy: -716.731 where: short stacking energy: -525.313 Base-Backbone interact. energy: -1.457 local terms energy: -637.946433 where: bonds (distance) C4'-P energy: -154.949 bonds (distance) P-C4' energy: -173.500 flat angles C4'-P-C4' energy: -150.191 flat angles P-C4'-P energy: -89.781 tors. eta vs tors. theta energy: -69.526 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: 268 Temperature: 1.200000 Total energy: -1135.315306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.315306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.315306 (E_RNA) where: Base-Base interactions energy: -526.582 where: short stacking energy: -409.164 Base-Backbone interact. energy: 2.709 local terms energy: -611.442018 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -170.165 flat angles C4'-P-C4' energy: -164.040 flat angles P-C4'-P energy: -96.272 tors. eta vs tors. theta energy: -35.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -941.221102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.221102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.221102 (E_RNA) where: Base-Base interactions energy: -424.459 where: short stacking energy: -367.040 Base-Backbone interact. energy: 1.687 local terms energy: -518.449172 where: bonds (distance) C4'-P energy: -134.402 bonds (distance) P-C4' energy: -158.269 flat angles C4'-P-C4' energy: -126.385 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -840.736741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.736741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.736741 (E_RNA) where: Base-Base interactions energy: -343.889 where: short stacking energy: -297.448 Base-Backbone interact. energy: 6.234 local terms energy: -503.081631 where: bonds (distance) C4'-P energy: -145.765 bonds (distance) P-C4' energy: -151.056 flat angles C4'-P-C4' energy: -137.048 flat angles P-C4'-P energy: -68.015 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -769.342507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.342507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.342507 (E_RNA) where: Base-Base interactions energy: -296.329 where: short stacking energy: -291.451 Base-Backbone interact. energy: -0.656 local terms energy: -472.357238 where: bonds (distance) C4'-P energy: -147.307 bonds (distance) P-C4' energy: -151.929 flat angles C4'-P-C4' energy: -102.273 flat angles P-C4'-P energy: -82.832 tors. eta vs tors. theta energy: 11.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2610.110289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.110289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.110289 (E_RNA) where: Base-Base interactions energy: -1654.503 where: short stacking energy: -1013.344 Base-Backbone interact. energy: -1.222 local terms energy: -954.385981 where: bonds (distance) C4'-P energy: -185.664 bonds (distance) P-C4' energy: -182.774 flat angles C4'-P-C4' energy: -205.828 flat angles P-C4'-P energy: -124.148 tors. eta vs tors. theta energy: -255.972 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: 269 Temperature: 0.950000 Total energy: -2339.619348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.619348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.619348 (E_RNA) where: Base-Base interactions energy: -1396.318 where: short stacking energy: -895.564 Base-Backbone interact. energy: -4.554 local terms energy: -938.746879 where: bonds (distance) C4'-P energy: -184.659 bonds (distance) P-C4' energy: -195.219 flat angles C4'-P-C4' energy: -202.426 flat angles P-C4'-P energy: -125.942 tors. eta vs tors. theta energy: -230.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2063.107795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.107795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.107795 (E_RNA) where: Base-Base interactions energy: -1253.443 where: short stacking energy: -789.273 Base-Backbone interact. energy: -2.506 local terms energy: -807.158546 where: bonds (distance) C4'-P energy: -176.188 bonds (distance) P-C4' energy: -170.174 flat angles C4'-P-C4' energy: -178.765 flat angles P-C4'-P energy: -101.902 tors. eta vs tors. theta energy: -180.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1887.338100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.338100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.338100 (E_RNA) where: Base-Base interactions energy: -1125.266 where: short stacking energy: -696.166 Base-Backbone interact. energy: 3.448 local terms energy: -765.519859 where: bonds (distance) C4'-P energy: -168.937 bonds (distance) P-C4' energy: -167.544 flat angles C4'-P-C4' energy: -181.410 flat angles P-C4'-P energy: -96.694 tors. eta vs tors. theta energy: -150.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1701.950205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.950205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.950205 (E_RNA) where: Base-Base interactions energy: -979.055 where: short stacking energy: -605.610 Base-Backbone interact. energy: -4.410 local terms energy: -718.485049 where: bonds (distance) C4'-P energy: -136.315 bonds (distance) P-C4' energy: -164.885 flat angles C4'-P-C4' energy: -176.806 flat angles P-C4'-P energy: -111.232 tors. eta vs tors. theta energy: -129.247 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: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1361.804240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.804240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.804240 (E_RNA) where: Base-Base interactions energy: -703.630 where: short stacking energy: -462.671 Base-Backbone interact. energy: -3.698 local terms energy: -654.475760 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -187.860 flat angles C4'-P-C4' energy: -157.186 flat angles P-C4'-P energy: -110.311 tors. eta vs tors. theta energy: -58.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1097.334572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.334572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.334572 (E_RNA) where: Base-Base interactions energy: -536.403 where: short stacking energy: -431.666 Base-Backbone interact. energy: 10.033 local terms energy: -570.964283 where: bonds (distance) C4'-P energy: -133.276 bonds (distance) P-C4' energy: -156.140 flat angles C4'-P-C4' energy: -142.089 flat angles P-C4'-P energy: -108.410 tors. eta vs tors. theta energy: -31.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -920.759619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.759619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.759619 (E_RNA) where: Base-Base interactions energy: -378.083 where: short stacking energy: -335.400 Base-Backbone interact. energy: -0.072 local terms energy: -542.604628 where: bonds (distance) C4'-P energy: -160.804 bonds (distance) P-C4' energy: -155.083 flat angles C4'-P-C4' energy: -145.572 flat angles P-C4'-P energy: -74.589 tors. eta vs tors. theta energy: -6.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -883.112661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.112661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.112661 (E_RNA) where: Base-Base interactions energy: -362.626 where: short stacking energy: -274.093 Base-Backbone interact. energy: 2.299 local terms energy: -522.786119 where: bonds (distance) C4'-P energy: -122.013 bonds (distance) P-C4' energy: -177.797 flat angles C4'-P-C4' energy: -152.582 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: 16.890 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: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -770.262296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.262296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.262296 (E_RNA) where: Base-Base interactions energy: -310.745 where: short stacking energy: -278.205 Base-Backbone interact. energy: 4.953 local terms energy: -464.470452 where: bonds (distance) C4'-P energy: -130.441 bonds (distance) P-C4' energy: -136.717 flat angles C4'-P-C4' energy: -118.835 flat angles P-C4'-P energy: -88.433 tors. eta vs tors. theta energy: 9.956 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2624.519157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.519157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.519157 (E_RNA) where: Base-Base interactions energy: -1656.318 where: short stacking energy: -1006.439 Base-Backbone interact. energy: -4.361 local terms energy: -963.839833 where: bonds (distance) C4'-P energy: -179.227 bonds (distance) P-C4' energy: -170.203 flat angles C4'-P-C4' energy: -203.567 flat angles P-C4'-P energy: -150.873 tors. eta vs tors. theta energy: -259.969 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: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2331.400252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.400252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.400252 (E_RNA) where: Base-Base interactions energy: -1447.526 where: short stacking energy: -887.130 Base-Backbone interact. energy: -1.300 local terms energy: -882.574058 where: bonds (distance) C4'-P energy: -162.360 bonds (distance) P-C4' energy: -188.353 flat angles C4'-P-C4' energy: -195.003 flat angles P-C4'-P energy: -124.284 tors. eta vs tors. theta energy: -212.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2135.772560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.772560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.772560 (E_RNA) where: Base-Base interactions energy: -1285.511 where: short stacking energy: -800.923 Base-Backbone interact. energy: -2.734 local terms energy: -847.527250 where: bonds (distance) C4'-P energy: -167.819 bonds (distance) P-C4' energy: -178.084 flat angles C4'-P-C4' energy: -198.260 flat angles P-C4'-P energy: -121.845 tors. eta vs tors. theta energy: -181.519 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: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1902.596085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.596085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.596085 (E_RNA) where: Base-Base interactions energy: -1137.970 where: short stacking energy: -717.171 Base-Backbone interact. energy: -0.741 local terms energy: -763.885373 where: bonds (distance) C4'-P energy: -173.907 bonds (distance) P-C4' energy: -156.826 flat angles C4'-P-C4' energy: -165.385 flat angles P-C4'-P energy: -111.329 tors. eta vs tors. theta energy: -156.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1711.377533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.377533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.377533 (E_RNA) where: Base-Base interactions energy: -964.601 where: short stacking energy: -615.020 Base-Backbone interact. energy: 2.751 local terms energy: -749.527816 where: bonds (distance) C4'-P energy: -180.887 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -169.232 flat angles P-C4'-P energy: -103.458 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: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1379.618845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.618845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.618845 (E_RNA) where: Base-Base interactions energy: -734.712 where: short stacking energy: -512.187 Base-Backbone interact. energy: 0.991 local terms energy: -645.897879 where: bonds (distance) C4'-P energy: -149.224 bonds (distance) P-C4' energy: -165.615 flat angles C4'-P-C4' energy: -149.028 flat angles P-C4'-P energy: -107.315 tors. eta vs tors. theta energy: -74.716 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: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1132.811599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.811599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.811599 (E_RNA) where: Base-Base interactions energy: -530.258 where: short stacking energy: -431.416 Base-Backbone interact. energy: 0.259 local terms energy: -602.812399 where: bonds (distance) C4'-P energy: -147.293 bonds (distance) P-C4' energy: -143.537 flat angles C4'-P-C4' energy: -160.920 flat angles P-C4'-P energy: -97.790 tors. eta vs tors. theta energy: -53.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -914.510521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.510521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.510521 (E_RNA) where: Base-Base interactions energy: -384.313 where: short stacking energy: -339.392 Base-Backbone interact. energy: -2.846 local terms energy: -527.351369 where: bonds (distance) C4'-P energy: -149.080 bonds (distance) P-C4' energy: -160.350 flat angles C4'-P-C4' energy: -124.412 flat angles P-C4'-P energy: -81.721 tors. eta vs tors. theta energy: -11.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -804.202014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.202014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.202014 (E_RNA) where: Base-Base interactions energy: -316.035 where: short stacking energy: -264.370 Base-Backbone interact. energy: -1.697 local terms energy: -486.470053 where: bonds (distance) C4'-P energy: -152.469 bonds (distance) P-C4' energy: -147.008 flat angles C4'-P-C4' energy: -135.448 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: 10.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -758.474687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.474687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.474687 (E_RNA) where: Base-Base interactions energy: -278.150 where: short stacking energy: -239.959 Base-Backbone interact. energy: 0.469 local terms energy: -480.793704 where: bonds (distance) C4'-P energy: -142.723 bonds (distance) P-C4' energy: -153.506 flat angles C4'-P-C4' energy: -136.607 flat angles P-C4'-P energy: -73.023 tors. eta vs tors. theta energy: 25.066 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: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2613.400564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.400564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.400564 (E_RNA) where: Base-Base interactions energy: -1653.700 where: short stacking energy: -1024.054 Base-Backbone interact. energy: -4.488 local terms energy: -955.212154 where: bonds (distance) C4'-P energy: -173.239 bonds (distance) P-C4' energy: -173.131 flat angles C4'-P-C4' energy: -210.016 flat angles P-C4'-P energy: -143.162 tors. eta vs tors. theta energy: -255.665 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: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2353.255366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.255366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.255366 (E_RNA) where: Base-Base interactions energy: -1442.584 where: short stacking energy: -868.499 Base-Backbone interact. energy: -3.499 local terms energy: -907.171902 where: bonds (distance) C4'-P energy: -182.054 bonds (distance) P-C4' energy: -175.617 flat angles C4'-P-C4' energy: -208.512 flat angles P-C4'-P energy: -133.114 tors. eta vs tors. theta energy: -207.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2096.878415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.878415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.878415 (E_RNA) where: Base-Base interactions energy: -1261.830 where: short stacking energy: -781.529 Base-Backbone interact. energy: -4.432 local terms energy: -830.616738 where: bonds (distance) C4'-P energy: -156.757 bonds (distance) P-C4' energy: -192.551 flat angles C4'-P-C4' energy: -182.534 flat angles P-C4'-P energy: -123.293 tors. eta vs tors. theta energy: -175.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1844.932638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.932638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.932638 (E_RNA) where: Base-Base interactions energy: -1065.832 where: short stacking energy: -666.719 Base-Backbone interact. energy: -0.427 local terms energy: -778.673270 where: bonds (distance) C4'-P energy: -154.457 bonds (distance) P-C4' energy: -179.516 flat angles C4'-P-C4' energy: -189.111 flat angles P-C4'-P energy: -125.779 tors. eta vs tors. theta energy: -129.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1682.407248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.407248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.407248 (E_RNA) where: Base-Base interactions energy: -976.291 where: short stacking energy: -611.342 Base-Backbone interact. energy: 3.231 local terms energy: -709.347429 where: bonds (distance) C4'-P energy: -165.384 bonds (distance) P-C4' energy: -165.605 flat angles C4'-P-C4' energy: -168.358 flat angles P-C4'-P energy: -98.402 tors. eta vs tors. theta energy: -111.600 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: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1360.425825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.425825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.425825 (E_RNA) where: Base-Base interactions energy: -728.674 where: short stacking energy: -490.137 Base-Backbone interact. energy: 1.224 local terms energy: -632.976108 where: bonds (distance) C4'-P energy: -138.757 bonds (distance) P-C4' energy: -176.570 flat angles C4'-P-C4' energy: -151.059 flat angles P-C4'-P energy: -93.495 tors. eta vs tors. theta energy: -73.095 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: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1140.670956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.670956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.670956 (E_RNA) where: Base-Base interactions energy: -591.223 where: short stacking energy: -456.429 Base-Backbone interact. energy: 4.058 local terms energy: -553.505850 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -153.728 flat angles P-C4'-P energy: -88.404 tors. eta vs tors. theta energy: -30.252 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: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -879.462358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.462358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.462358 (E_RNA) where: Base-Base interactions energy: -354.278 where: short stacking energy: -293.442 Base-Backbone interact. energy: -1.654 local terms energy: -523.530506 where: bonds (distance) C4'-P energy: -162.419 bonds (distance) P-C4' energy: -169.804 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -856.007506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.007506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.007506 (E_RNA) where: Base-Base interactions energy: -309.825 where: short stacking energy: -299.621 Base-Backbone interact. energy: -1.787 local terms energy: -544.395122 where: bonds (distance) C4'-P energy: -144.834 bonds (distance) P-C4' energy: -167.460 flat angles C4'-P-C4' energy: -143.326 flat angles P-C4'-P energy: -98.369 tors. eta vs tors. theta energy: 9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -759.731463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.731463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.731463 (E_RNA) where: Base-Base interactions energy: -303.385 where: short stacking energy: -279.657 Base-Backbone interact. energy: 2.173 local terms energy: -458.518948 where: bonds (distance) C4'-P energy: -150.770 bonds (distance) P-C4' energy: -155.411 flat angles C4'-P-C4' energy: -87.056 flat angles P-C4'-P energy: -74.689 tors. eta vs tors. theta energy: 9.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2588.200761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.200761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.200761 (E_RNA) where: Base-Base interactions energy: -1615.987 where: short stacking energy: -987.255 Base-Backbone interact. energy: -5.775 local terms energy: -966.439072 where: bonds (distance) C4'-P energy: -171.397 bonds (distance) P-C4' energy: -184.616 flat angles C4'-P-C4' energy: -213.111 flat angles P-C4'-P energy: -137.239 tors. eta vs tors. theta energy: -260.075 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: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2361.054207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.054207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.054207 (E_RNA) where: Base-Base interactions energy: -1458.482 where: short stacking energy: -872.976 Base-Backbone interact. energy: -4.880 local terms energy: -897.691650 where: bonds (distance) C4'-P energy: -170.064 bonds (distance) P-C4' energy: -175.214 flat angles C4'-P-C4' energy: -186.281 flat angles P-C4'-P energy: -139.258 tors. eta vs tors. theta energy: -226.874 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: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2078.710608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.710608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.710608 (E_RNA) where: Base-Base interactions energy: -1272.546 where: short stacking energy: -814.606 Base-Backbone interact. energy: 4.323 local terms energy: -810.487846 where: bonds (distance) C4'-P energy: -161.014 bonds (distance) P-C4' energy: -156.481 flat angles C4'-P-C4' energy: -198.259 flat angles P-C4'-P energy: -125.680 tors. eta vs tors. theta energy: -169.054 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: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1934.525190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.525190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.525190 (E_RNA) where: Base-Base interactions energy: -1155.563 where: short stacking energy: -762.076 Base-Backbone interact. energy: 1.480 local terms energy: -780.441516 where: bonds (distance) C4'-P energy: -169.873 bonds (distance) P-C4' energy: -164.900 flat angles C4'-P-C4' energy: -174.771 flat angles P-C4'-P energy: -96.470 tors. eta vs tors. theta energy: -174.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1733.530910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.530910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.530910 (E_RNA) where: Base-Base interactions energy: -984.784 where: short stacking energy: -653.450 Base-Backbone interact. energy: -2.624 local terms energy: -746.123122 where: bonds (distance) C4'-P energy: -171.203 bonds (distance) P-C4' energy: -173.808 flat angles C4'-P-C4' energy: -178.515 flat angles P-C4'-P energy: -89.956 tors. eta vs tors. theta energy: -132.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1294.558252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.558252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.558252 (E_RNA) where: Base-Base interactions energy: -634.182 where: short stacking energy: -454.986 Base-Backbone interact. energy: -2.238 local terms energy: -658.138460 where: bonds (distance) C4'-P energy: -151.223 bonds (distance) P-C4' energy: -182.335 flat angles C4'-P-C4' energy: -158.917 flat angles P-C4'-P energy: -121.825 tors. eta vs tors. theta energy: -43.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1109.336616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.336616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.336616 (E_RNA) where: Base-Base interactions energy: -563.667 where: short stacking energy: -429.446 Base-Backbone interact. energy: -1.631 local terms energy: -544.038144 where: bonds (distance) C4'-P energy: -137.600 bonds (distance) P-C4' energy: -152.333 flat angles C4'-P-C4' energy: -140.987 flat angles P-C4'-P energy: -76.014 tors. eta vs tors. theta energy: -37.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -891.856220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.856220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.856220 (E_RNA) where: Base-Base interactions energy: -377.390 where: short stacking energy: -321.252 Base-Backbone interact. energy: -0.172 local terms energy: -514.294204 where: bonds (distance) C4'-P energy: -138.310 bonds (distance) P-C4' energy: -161.555 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -853.713476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.713476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.713476 (E_RNA) where: Base-Base interactions energy: -334.318 where: short stacking energy: -302.640 Base-Backbone interact. energy: 3.343 local terms energy: -522.738619 where: bonds (distance) C4'-P energy: -120.587 bonds (distance) P-C4' energy: -139.662 flat angles C4'-P-C4' energy: -141.149 flat angles P-C4'-P energy: -95.412 tors. eta vs tors. theta energy: -25.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -767.981647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.981647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.981647 (E_RNA) where: Base-Base interactions energy: -287.998 where: short stacking energy: -261.928 Base-Backbone interact. energy: -2.237 local terms energy: -477.746555 where: bonds (distance) C4'-P energy: -140.618 bonds (distance) P-C4' energy: -157.853 flat angles C4'-P-C4' energy: -130.891 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: 6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2592.952263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.952263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.952263 (E_RNA) where: Base-Base interactions energy: -1604.257 where: short stacking energy: -977.543 Base-Backbone interact. energy: -5.096 local terms energy: -983.599503 where: bonds (distance) C4'-P energy: -188.617 bonds (distance) P-C4' energy: -177.807 flat angles C4'-P-C4' energy: -214.251 flat angles P-C4'-P energy: -144.772 tors. eta vs tors. theta energy: -258.153 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: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2354.575910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.575910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.575910 (E_RNA) where: Base-Base interactions energy: -1436.591 where: short stacking energy: -907.067 Base-Backbone interact. energy: -4.281 local terms energy: -913.704004 where: bonds (distance) C4'-P energy: -170.806 bonds (distance) P-C4' energy: -187.681 flat angles C4'-P-C4' energy: -209.410 flat angles P-C4'-P energy: -132.268 tors. eta vs tors. theta energy: -213.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2071.863626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.863626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.863626 (E_RNA) where: Base-Base interactions energy: -1244.607 where: short stacking energy: -784.951 Base-Backbone interact. energy: -1.710 local terms energy: -825.546693 where: bonds (distance) C4'-P energy: -170.315 bonds (distance) P-C4' energy: -174.260 flat angles C4'-P-C4' energy: -185.759 flat angles P-C4'-P energy: -125.356 tors. eta vs tors. theta energy: -169.857 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: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1891.305269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.305269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.305269 (E_RNA) where: Base-Base interactions energy: -1119.060 where: short stacking energy: -682.091 Base-Backbone interact. energy: -3.492 local terms energy: -768.753150 where: bonds (distance) C4'-P energy: -145.321 bonds (distance) P-C4' energy: -164.597 flat angles C4'-P-C4' energy: -193.447 flat angles P-C4'-P energy: -127.075 tors. eta vs tors. theta energy: -138.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1714.835040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.835040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.835040 (E_RNA) where: Base-Base interactions energy: -1001.830 where: short stacking energy: -672.716 Base-Backbone interact. energy: 0.016 local terms energy: -713.020807 where: bonds (distance) C4'-P energy: -154.322 bonds (distance) P-C4' energy: -174.101 flat angles C4'-P-C4' energy: -174.119 flat angles P-C4'-P energy: -87.280 tors. eta vs tors. theta energy: -123.200 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: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1316.882843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.882843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.882843 (E_RNA) where: Base-Base interactions energy: -682.682 where: short stacking energy: -493.441 Base-Backbone interact. energy: -2.261 local terms energy: -631.939996 where: bonds (distance) C4'-P energy: -156.199 bonds (distance) P-C4' energy: -166.178 flat angles C4'-P-C4' energy: -143.007 flat angles P-C4'-P energy: -95.297 tors. eta vs tors. theta energy: -71.259 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: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1147.192146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.192146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.192146 (E_RNA) where: Base-Base interactions energy: -570.026 where: short stacking energy: -430.916 Base-Backbone interact. energy: 6.623 local terms energy: -583.789276 where: bonds (distance) C4'-P energy: -168.451 bonds (distance) P-C4' energy: -168.738 flat angles C4'-P-C4' energy: -133.448 flat angles P-C4'-P energy: -65.068 tors. eta vs tors. theta energy: -48.084 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: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -967.333912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.333912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.333912 (E_RNA) where: Base-Base interactions energy: -430.699 where: short stacking energy: -365.630 Base-Backbone interact. energy: 10.315 local terms energy: -546.950173 where: bonds (distance) C4'-P energy: -142.916 bonds (distance) P-C4' energy: -157.284 flat angles C4'-P-C4' energy: -167.240 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: -12.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -823.224775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.224775 (E_RNA) where: Base-Base interactions energy: -338.949 where: short stacking energy: -309.653 Base-Backbone interact. energy: -2.720 local terms energy: -481.555417 where: bonds (distance) C4'-P energy: -151.473 bonds (distance) P-C4' energy: -139.547 flat angles C4'-P-C4' energy: -132.022 flat angles P-C4'-P energy: -86.028 tors. eta vs tors. theta energy: 27.515 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: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -830.261545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.261545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.261545 (E_RNA) where: Base-Base interactions energy: -349.010 where: short stacking energy: -299.755 Base-Backbone interact. energy: 3.529 local terms energy: -484.780880 where: bonds (distance) C4'-P energy: -138.764 bonds (distance) P-C4' energy: -150.266 flat angles C4'-P-C4' energy: -118.815 flat angles P-C4'-P energy: -84.859 tors. eta vs tors. theta energy: 7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2563.616085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.616085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.616085 (E_RNA) where: Base-Base interactions energy: -1580.899 where: short stacking energy: -951.669 Base-Backbone interact. energy: -2.970 local terms energy: -979.746753 where: bonds (distance) C4'-P energy: -190.823 bonds (distance) P-C4' energy: -196.466 flat angles C4'-P-C4' energy: -201.956 flat angles P-C4'-P energy: -139.489 tors. eta vs tors. theta energy: -251.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2323.775228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.775228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.775228 (E_RNA) where: Base-Base interactions energy: -1441.166 where: short stacking energy: -888.286 Base-Backbone interact. energy: -0.368 local terms energy: -882.240824 where: bonds (distance) C4'-P energy: -165.145 bonds (distance) P-C4' energy: -185.602 flat angles C4'-P-C4' energy: -190.344 flat angles P-C4'-P energy: -124.544 tors. eta vs tors. theta energy: -216.606 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: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2095.872030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.872030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.872030 (E_RNA) where: Base-Base interactions energy: -1269.435 where: short stacking energy: -779.859 Base-Backbone interact. energy: 3.217 local terms energy: -829.654830 where: bonds (distance) C4'-P energy: -165.278 bonds (distance) P-C4' energy: -177.009 flat angles C4'-P-C4' energy: -177.910 flat angles P-C4'-P energy: -119.714 tors. eta vs tors. theta energy: -189.743 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: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1883.804739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.804739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.804739 (E_RNA) where: Base-Base interactions energy: -1117.035 where: short stacking energy: -695.054 Base-Backbone interact. energy: -3.706 local terms energy: -763.063652 where: bonds (distance) C4'-P energy: -159.313 bonds (distance) P-C4' energy: -160.598 flat angles C4'-P-C4' energy: -166.405 flat angles P-C4'-P energy: -109.965 tors. eta vs tors. theta energy: -166.782 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: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1705.635206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.635206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.635206 (E_RNA) where: Base-Base interactions energy: -1008.957 where: short stacking energy: -671.883 Base-Backbone interact. energy: -3.528 local terms energy: -693.150539 where: bonds (distance) C4'-P energy: -153.179 bonds (distance) P-C4' energy: -149.287 flat angles C4'-P-C4' energy: -171.630 flat angles P-C4'-P energy: -95.205 tors. eta vs tors. theta energy: -123.849 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: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1301.842879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.842879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.842879 (E_RNA) where: Base-Base interactions energy: -652.442 where: short stacking energy: -460.456 Base-Backbone interact. energy: -1.473 local terms energy: -647.927715 where: bonds (distance) C4'-P energy: -149.078 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -157.914 flat angles P-C4'-P energy: -105.225 tors. eta vs tors. theta energy: -75.249 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: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1117.022155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.022155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.022155 (E_RNA) where: Base-Base interactions energy: -533.010 where: short stacking energy: -396.842 Base-Backbone interact. energy: -0.465 local terms energy: -583.546690 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -162.863 flat angles C4'-P-C4' energy: -151.189 flat angles P-C4'-P energy: -87.834 tors. eta vs tors. theta energy: -29.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -942.971756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.971756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.971756 (E_RNA) where: Base-Base interactions energy: -398.151 where: short stacking energy: -334.861 Base-Backbone interact. energy: 3.733 local terms energy: -548.553446 where: bonds (distance) C4'-P energy: -151.802 bonds (distance) P-C4' energy: -149.985 flat angles C4'-P-C4' energy: -144.657 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -24.148 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: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -848.612346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.612346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.612346 (E_RNA) where: Base-Base interactions energy: -376.560 where: short stacking energy: -326.861 Base-Backbone interact. energy: 4.235 local terms energy: -476.287131 where: bonds (distance) C4'-P energy: -132.115 bonds (distance) P-C4' energy: -151.871 flat angles C4'-P-C4' energy: -129.798 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: 12.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -758.121386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.121386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.121386 (E_RNA) where: Base-Base interactions energy: -301.706 where: short stacking energy: -248.837 Base-Backbone interact. energy: 5.989 local terms energy: -462.403511 where: bonds (distance) C4'-P energy: -163.792 bonds (distance) P-C4' energy: -137.199 flat angles C4'-P-C4' energy: -115.604 flat angles P-C4'-P energy: -75.795 tors. eta vs tors. theta energy: 29.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2519.325388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.325388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.325388 (E_RNA) where: Base-Base interactions energy: -1603.904 where: short stacking energy: -953.449 Base-Backbone interact. energy: -8.373 local terms energy: -907.048032 where: bonds (distance) C4'-P energy: -171.772 bonds (distance) P-C4' energy: -173.364 flat angles C4'-P-C4' energy: -202.764 flat angles P-C4'-P energy: -119.496 tors. eta vs tors. theta energy: -239.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2400.102792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.102792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.102792 (E_RNA) where: Base-Base interactions energy: -1466.640 where: short stacking energy: -917.894 Base-Backbone interact. energy: -2.998 local terms energy: -930.464406 where: bonds (distance) C4'-P energy: -187.933 bonds (distance) P-C4' energy: -179.857 flat angles C4'-P-C4' energy: -204.661 flat angles P-C4'-P energy: -125.332 tors. eta vs tors. theta energy: -232.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2124.860037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.860037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.860037 (E_RNA) where: Base-Base interactions energy: -1277.411 where: short stacking energy: -798.288 Base-Backbone interact. energy: -0.105 local terms energy: -847.344245 where: bonds (distance) C4'-P energy: -181.913 bonds (distance) P-C4' energy: -156.640 flat angles C4'-P-C4' energy: -187.959 flat angles P-C4'-P energy: -127.136 tors. eta vs tors. theta energy: -193.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1961.441153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.441153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.441153 (E_RNA) where: Base-Base interactions energy: -1183.142 where: short stacking energy: -702.636 Base-Backbone interact. energy: -1.234 local terms energy: -777.065769 where: bonds (distance) C4'-P energy: -172.460 bonds (distance) P-C4' energy: -171.365 flat angles C4'-P-C4' energy: -169.525 flat angles P-C4'-P energy: -101.534 tors. eta vs tors. theta energy: -162.182 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: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1637.486169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.486169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.486169 (E_RNA) where: Base-Base interactions energy: -894.951 where: short stacking energy: -583.042 Base-Backbone interact. energy: -1.733 local terms energy: -740.801932 where: bonds (distance) C4'-P energy: -165.641 bonds (distance) P-C4' energy: -179.966 flat angles C4'-P-C4' energy: -180.934 flat angles P-C4'-P energy: -110.362 tors. eta vs tors. theta energy: -103.899 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: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1311.397969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.397969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.397969 (E_RNA) where: Base-Base interactions energy: -638.640 where: short stacking energy: -458.527 Base-Backbone interact. energy: 4.551 local terms energy: -677.308900 where: bonds (distance) C4'-P energy: -171.201 bonds (distance) P-C4' energy: -159.314 flat angles C4'-P-C4' energy: -160.486 flat angles P-C4'-P energy: -105.500 tors. eta vs tors. theta energy: -80.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1142.216264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.216264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.216264 (E_RNA) where: Base-Base interactions energy: -530.905 where: short stacking energy: -416.831 Base-Backbone interact. energy: 0.500 local terms energy: -611.811500 where: bonds (distance) C4'-P energy: -149.310 bonds (distance) P-C4' energy: -171.834 flat angles C4'-P-C4' energy: -158.359 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -46.902 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: 8 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -987.397991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.397991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.397991 (E_RNA) where: Base-Base interactions energy: -434.767 where: short stacking energy: -346.825 Base-Backbone interact. energy: -4.356 local terms energy: -548.275197 where: bonds (distance) C4'-P energy: -147.296 bonds (distance) P-C4' energy: -157.109 flat angles C4'-P-C4' energy: -145.610 flat angles P-C4'-P energy: -76.623 tors. eta vs tors. theta energy: -21.637 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: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -827.486213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.486213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.486213 (E_RNA) where: Base-Base interactions energy: -334.932 where: short stacking energy: -312.026 Base-Backbone interact. energy: 2.176 local terms energy: -494.730763 where: bonds (distance) C4'-P energy: -151.062 bonds (distance) P-C4' energy: -136.985 flat angles C4'-P-C4' energy: -138.942 flat angles P-C4'-P energy: -84.027 tors. eta vs tors. theta energy: 16.285 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: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -751.381082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.381082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.381082 (E_RNA) where: Base-Base interactions energy: -275.689 where: short stacking energy: -267.816 Base-Backbone interact. energy: 0.922 local terms energy: -476.614187 where: bonds (distance) C4'-P energy: -144.202 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -129.587 flat angles P-C4'-P energy: -82.247 tors. eta vs tors. theta energy: 19.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2547.999772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.999772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.999772 (E_RNA) where: Base-Base interactions energy: -1614.304 where: short stacking energy: -959.378 Base-Backbone interact. energy: -2.549 local terms energy: -931.146930 where: bonds (distance) C4'-P energy: -174.729 bonds (distance) P-C4' energy: -193.614 flat angles C4'-P-C4' energy: -195.695 flat angles P-C4'-P energy: -128.391 tors. eta vs tors. theta energy: -238.718 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: 276 Temperature: 0.950000 Total energy: -2367.503384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.503384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.503384 (E_RNA) where: Base-Base interactions energy: -1453.932 where: short stacking energy: -884.703 Base-Backbone interact. energy: -2.877 local terms energy: -910.695337 where: bonds (distance) C4'-P energy: -165.087 bonds (distance) P-C4' energy: -191.021 flat angles C4'-P-C4' energy: -209.720 flat angles P-C4'-P energy: -113.669 tors. eta vs tors. theta energy: -231.198 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: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2120.290148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.290148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.290148 (E_RNA) where: Base-Base interactions energy: -1269.093 where: short stacking energy: -810.174 Base-Backbone interact. energy: -2.477 local terms energy: -848.719980 where: bonds (distance) C4'-P energy: -172.673 bonds (distance) P-C4' energy: -170.649 flat angles C4'-P-C4' energy: -193.457 flat angles P-C4'-P energy: -127.332 tors. eta vs tors. theta energy: -184.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1928.294668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.294668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.294668 (E_RNA) where: Base-Base interactions energy: -1149.851 where: short stacking energy: -761.749 Base-Backbone interact. energy: -2.535 local terms energy: -775.908954 where: bonds (distance) C4'-P energy: -161.095 bonds (distance) P-C4' energy: -159.780 flat angles C4'-P-C4' energy: -173.686 flat angles P-C4'-P energy: -109.719 tors. eta vs tors. theta energy: -171.629 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: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1661.898721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.898721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.898721 (E_RNA) where: Base-Base interactions energy: -981.904 where: short stacking energy: -602.255 Base-Backbone interact. energy: -2.327 local terms energy: -677.668008 where: bonds (distance) C4'-P energy: -159.081 bonds (distance) P-C4' energy: -151.726 flat angles C4'-P-C4' energy: -169.831 flat angles P-C4'-P energy: -87.822 tors. eta vs tors. theta energy: -109.207 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: 6, replica: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1293.288023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.288023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.288023 (E_RNA) where: Base-Base interactions energy: -655.969 where: short stacking energy: -494.203 Base-Backbone interact. energy: 5.058 local terms energy: -642.376636 where: bonds (distance) C4'-P energy: -141.576 bonds (distance) P-C4' energy: -163.481 flat angles C4'-P-C4' energy: -159.767 flat angles P-C4'-P energy: -97.257 tors. eta vs tors. theta energy: -80.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1070.673270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.673270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.673270 (E_RNA) where: Base-Base interactions energy: -495.967 where: short stacking energy: -379.404 Base-Backbone interact. energy: 1.823 local terms energy: -576.529800 where: bonds (distance) C4'-P energy: -156.785 bonds (distance) P-C4' energy: -154.510 flat angles C4'-P-C4' energy: -152.167 flat angles P-C4'-P energy: -80.544 tors. eta vs tors. theta energy: -32.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -973.604109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.604109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.604109 (E_RNA) where: Base-Base interactions energy: -442.258 where: short stacking energy: -343.843 Base-Backbone interact. energy: -4.555 local terms energy: -526.791432 where: bonds (distance) C4'-P energy: -143.167 bonds (distance) P-C4' energy: -149.980 flat angles C4'-P-C4' energy: -137.733 flat angles P-C4'-P energy: -88.305 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -841.801427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.801427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.801427 (E_RNA) where: Base-Base interactions energy: -329.991 where: short stacking energy: -306.698 Base-Backbone interact. energy: 2.840 local terms energy: -514.650016 where: bonds (distance) C4'-P energy: -127.150 bonds (distance) P-C4' energy: -157.443 flat angles C4'-P-C4' energy: -123.629 flat angles P-C4'-P energy: -102.331 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -732.152242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.152242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.152242 (E_RNA) where: Base-Base interactions energy: -268.942 where: short stacking energy: -246.088 Base-Backbone interact. energy: 1.651 local terms energy: -464.861571 where: bonds (distance) C4'-P energy: -140.818 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -119.432 flat angles P-C4'-P energy: -74.131 tors. eta vs tors. theta energy: 15.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2559.896234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.896234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.896234 (E_RNA) where: Base-Base interactions energy: -1614.999 where: short stacking energy: -932.478 Base-Backbone interact. energy: -6.136 local terms energy: -938.761152 where: bonds (distance) C4'-P energy: -161.551 bonds (distance) P-C4' energy: -182.693 flat angles C4'-P-C4' energy: -212.671 flat angles P-C4'-P energy: -144.864 tors. eta vs tors. theta energy: -236.983 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: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2336.076652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.076652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.076652 (E_RNA) where: Base-Base interactions energy: -1453.803 where: short stacking energy: -893.305 Base-Backbone interact. energy: 0.349 local terms energy: -882.622263 where: bonds (distance) C4'-P energy: -157.600 bonds (distance) P-C4' energy: -167.625 flat angles C4'-P-C4' energy: -207.590 flat angles P-C4'-P energy: -140.696 tors. eta vs tors. theta energy: -209.112 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: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2042.796102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.796102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.796102 (E_RNA) where: Base-Base interactions energy: -1225.735 where: short stacking energy: -753.177 Base-Backbone interact. energy: 1.808 local terms energy: -818.869440 where: bonds (distance) C4'-P energy: -170.239 bonds (distance) P-C4' energy: -162.156 flat angles C4'-P-C4' energy: -176.415 flat angles P-C4'-P energy: -133.043 tors. eta vs tors. theta energy: -177.016 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: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1954.944182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.944182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.944182 (E_RNA) where: Base-Base interactions energy: -1126.171 where: short stacking energy: -681.638 Base-Backbone interact. energy: -4.303 local terms energy: -824.470260 where: bonds (distance) C4'-P energy: -172.129 bonds (distance) P-C4' energy: -179.278 flat angles C4'-P-C4' energy: -192.480 flat angles P-C4'-P energy: -118.317 tors. eta vs tors. theta energy: -162.266 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1608.250385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.250385 (E_RNA) where: Base-Base interactions energy: -922.020 where: short stacking energy: -574.952 Base-Backbone interact. energy: -0.487 local terms energy: -685.743789 where: bonds (distance) C4'-P energy: -170.602 bonds (distance) P-C4' energy: -164.851 flat angles C4'-P-C4' energy: -174.187 flat angles P-C4'-P energy: -95.056 tors. eta vs tors. theta energy: -81.047 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: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1295.994029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.994029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.994029 (E_RNA) where: Base-Base interactions energy: -657.214 where: short stacking energy: -509.592 Base-Backbone interact. energy: -4.402 local terms energy: -634.377972 where: bonds (distance) C4'-P energy: -157.453 bonds (distance) P-C4' energy: -147.000 flat angles C4'-P-C4' energy: -156.187 flat angles P-C4'-P energy: -105.655 tors. eta vs tors. theta energy: -68.083 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: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1086.427134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.427134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.427134 (E_RNA) where: Base-Base interactions energy: -523.978 where: short stacking energy: -415.466 Base-Backbone interact. energy: -2.597 local terms energy: -559.852354 where: bonds (distance) C4'-P energy: -143.757 bonds (distance) P-C4' energy: -166.575 flat angles C4'-P-C4' energy: -146.706 flat angles P-C4'-P energy: -81.768 tors. eta vs tors. theta energy: -21.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -990.023125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.023125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.023125 (E_RNA) where: Base-Base interactions energy: -460.189 where: short stacking energy: -383.464 Base-Backbone interact. energy: -2.390 local terms energy: -527.444419 where: bonds (distance) C4'-P energy: -140.801 bonds (distance) P-C4' energy: -152.964 flat angles C4'-P-C4' energy: -141.044 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -849.412780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.412780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.412780 (E_RNA) where: Base-Base interactions energy: -350.741 where: short stacking energy: -282.161 Base-Backbone interact. energy: 4.786 local terms energy: -503.457641 where: bonds (distance) C4'-P energy: -144.034 bonds (distance) P-C4' energy: -144.028 flat angles C4'-P-C4' energy: -150.794 flat angles P-C4'-P energy: -62.562 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -720.367393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.367393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.367393 (E_RNA) where: Base-Base interactions energy: -291.553 where: short stacking energy: -265.762 Base-Backbone interact. energy: 6.257 local terms energy: -435.071439 where: bonds (distance) C4'-P energy: -122.506 bonds (distance) P-C4' energy: -146.669 flat angles C4'-P-C4' energy: -116.677 flat angles P-C4'-P energy: -57.403 tors. eta vs tors. theta energy: 8.184 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: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2536.541079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.541079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.541079 (E_RNA) where: Base-Base interactions energy: -1538.980 where: short stacking energy: -932.052 Base-Backbone interact. energy: -3.670 local terms energy: -993.891357 where: bonds (distance) C4'-P energy: -189.975 bonds (distance) P-C4' energy: -204.489 flat angles C4'-P-C4' energy: -211.952 flat angles P-C4'-P energy: -144.620 tors. eta vs tors. theta energy: -242.856 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: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2376.836819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.836819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.836819 (E_RNA) where: Base-Base interactions energy: -1470.000 where: short stacking energy: -890.491 Base-Backbone interact. energy: -1.244 local terms energy: -905.592023 where: bonds (distance) C4'-P energy: -179.364 bonds (distance) P-C4' energy: -174.845 flat angles C4'-P-C4' energy: -203.640 flat angles P-C4'-P energy: -130.461 tors. eta vs tors. theta energy: -217.282 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: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2055.543858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.543858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.543858 (E_RNA) where: Base-Base interactions energy: -1223.604 where: short stacking energy: -776.306 Base-Backbone interact. energy: 2.030 local terms energy: -833.969957 where: bonds (distance) C4'-P energy: -164.802 bonds (distance) P-C4' energy: -169.198 flat angles C4'-P-C4' energy: -193.474 flat angles P-C4'-P energy: -132.543 tors. eta vs tors. theta energy: -173.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1950.414317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.414317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.414317 (E_RNA) where: Base-Base interactions energy: -1142.053 where: short stacking energy: -716.737 Base-Backbone interact. energy: -3.013 local terms energy: -805.348140 where: bonds (distance) C4'-P energy: -154.107 bonds (distance) P-C4' energy: -174.550 flat angles C4'-P-C4' energy: -196.179 flat angles P-C4'-P energy: -125.386 tors. eta vs tors. theta energy: -155.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1703.637755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.637755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.637755 (E_RNA) where: Base-Base interactions energy: -1007.683 where: short stacking energy: -625.611 Base-Backbone interact. energy: 3.771 local terms energy: -699.725403 where: bonds (distance) C4'-P energy: -172.943 bonds (distance) P-C4' energy: -173.310 flat angles C4'-P-C4' energy: -154.948 flat angles P-C4'-P energy: -103.252 tors. eta vs tors. theta energy: -95.272 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: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1348.137616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.137616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.137616 (E_RNA) where: Base-Base interactions energy: -709.617 where: short stacking energy: -490.562 Base-Backbone interact. energy: 1.282 local terms energy: -639.803121 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -177.846 flat angles C4'-P-C4' energy: -153.394 flat angles P-C4'-P energy: -102.673 tors. eta vs tors. theta energy: -67.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1089.162323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.162323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.162323 (E_RNA) where: Base-Base interactions energy: -491.869 where: short stacking energy: -421.306 Base-Backbone interact. energy: -2.167 local terms energy: -595.126705 where: bonds (distance) C4'-P energy: -140.686 bonds (distance) P-C4' energy: -172.512 flat angles C4'-P-C4' energy: -139.944 flat angles P-C4'-P energy: -98.065 tors. eta vs tors. theta energy: -43.921 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: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -986.817011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.817011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.817011 (E_RNA) where: Base-Base interactions energy: -431.235 where: short stacking energy: -334.239 Base-Backbone interact. energy: 6.111 local terms energy: -561.692738 where: bonds (distance) C4'-P energy: -175.823 bonds (distance) P-C4' energy: -152.647 flat angles C4'-P-C4' energy: -130.388 flat angles P-C4'-P energy: -89.560 tors. eta vs tors. theta energy: -13.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -836.402982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.402982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.402982 (E_RNA) where: Base-Base interactions energy: -350.427 where: short stacking energy: -270.013 Base-Backbone interact. energy: -0.573 local terms energy: -485.403779 where: bonds (distance) C4'-P energy: -132.780 bonds (distance) P-C4' energy: -158.546 flat angles C4'-P-C4' energy: -144.312 flat angles P-C4'-P energy: -75.055 tors. eta vs tors. theta energy: 25.290 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: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -759.480575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.480575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.480575 (E_RNA) where: Base-Base interactions energy: -272.542 where: short stacking energy: -234.652 Base-Backbone interact. energy: -0.023 local terms energy: -486.915184 where: bonds (distance) C4'-P energy: -152.938 bonds (distance) P-C4' energy: -148.993 flat angles C4'-P-C4' energy: -125.102 flat angles P-C4'-P energy: -86.156 tors. eta vs tors. theta energy: 26.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2452.062293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.062293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.062293 (E_RNA) where: Base-Base interactions energy: -1536.843 where: short stacking energy: -915.807 Base-Backbone interact. energy: -7.614 local terms energy: -907.605116 where: bonds (distance) C4'-P energy: -170.101 bonds (distance) P-C4' energy: -174.603 flat angles C4'-P-C4' energy: -202.178 flat angles P-C4'-P energy: -126.891 tors. eta vs tors. theta energy: -233.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2281.183601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.183601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.183601 (E_RNA) where: Base-Base interactions energy: -1397.231 where: short stacking energy: -836.926 Base-Backbone interact. energy: -2.950 local terms energy: -881.002107 where: bonds (distance) C4'-P energy: -175.046 bonds (distance) P-C4' energy: -184.775 flat angles C4'-P-C4' energy: -191.972 flat angles P-C4'-P energy: -123.872 tors. eta vs tors. theta energy: -205.337 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: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2023.730267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.730267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.730267 (E_RNA) where: Base-Base interactions energy: -1235.794 where: short stacking energy: -726.828 Base-Backbone interact. energy: 2.167 local terms energy: -790.103959 where: bonds (distance) C4'-P energy: -143.459 bonds (distance) P-C4' energy: -173.271 flat angles C4'-P-C4' energy: -190.843 flat angles P-C4'-P energy: -114.072 tors. eta vs tors. theta energy: -168.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1923.015417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.015417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.015417 (E_RNA) where: Base-Base interactions energy: -1158.353 where: short stacking energy: -708.157 Base-Backbone interact. energy: -0.281 local terms energy: -764.381091 where: bonds (distance) C4'-P energy: -157.528 bonds (distance) P-C4' energy: -176.852 flat angles C4'-P-C4' energy: -181.860 flat angles P-C4'-P energy: -101.863 tors. eta vs tors. theta energy: -146.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1696.598663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.598663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.598663 (E_RNA) where: Base-Base interactions energy: -970.989 where: short stacking energy: -594.446 Base-Backbone interact. energy: -3.218 local terms energy: -722.392443 where: bonds (distance) C4'-P energy: -167.360 bonds (distance) P-C4' energy: -190.129 flat angles C4'-P-C4' energy: -167.860 flat angles P-C4'-P energy: -91.495 tors. eta vs tors. theta energy: -105.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1278.156367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.156367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.156367 (E_RNA) where: Base-Base interactions energy: -617.725 where: short stacking energy: -477.815 Base-Backbone interact. energy: 2.746 local terms energy: -663.176808 where: bonds (distance) C4'-P energy: -151.251 bonds (distance) P-C4' energy: -156.734 flat angles C4'-P-C4' energy: -170.822 flat angles P-C4'-P energy: -109.347 tors. eta vs tors. theta energy: -75.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1013.354688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.354688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.354688 (E_RNA) where: Base-Base interactions energy: -453.341 where: short stacking energy: -378.815 Base-Backbone interact. energy: 1.353 local terms energy: -561.366394 where: bonds (distance) C4'-P energy: -150.066 bonds (distance) P-C4' energy: -163.663 flat angles C4'-P-C4' energy: -119.766 flat angles P-C4'-P energy: -96.819 tors. eta vs tors. theta energy: -31.053 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -883.001093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.001093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.001093 (E_RNA) where: Base-Base interactions energy: -353.127 where: short stacking energy: -307.827 Base-Backbone interact. energy: 1.700 local terms energy: -531.573274 where: bonds (distance) C4'-P energy: -141.011 bonds (distance) P-C4' energy: -171.491 flat angles C4'-P-C4' energy: -139.181 flat angles P-C4'-P energy: -79.374 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -843.991649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.991649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.991649 (E_RNA) where: Base-Base interactions energy: -355.786 where: short stacking energy: -317.238 Base-Backbone interact. energy: 0.907 local terms energy: -489.112490 where: bonds (distance) C4'-P energy: -131.046 bonds (distance) P-C4' energy: -155.729 flat angles C4'-P-C4' energy: -138.151 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: 20.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -761.979744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.979744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.979744 (E_RNA) where: Base-Base interactions energy: -307.556 where: short stacking energy: -259.111 Base-Backbone interact. energy: -5.206 local terms energy: -449.217256 where: bonds (distance) C4'-P energy: -162.746 bonds (distance) P-C4' energy: -133.488 flat angles C4'-P-C4' energy: -110.969 flat angles P-C4'-P energy: -72.792 tors. eta vs tors. theta energy: 30.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2522.229154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.229154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.229154 (E_RNA) where: Base-Base interactions energy: -1551.458 where: short stacking energy: -939.609 Base-Backbone interact. energy: -5.290 local terms energy: -965.480808 where: bonds (distance) C4'-P energy: -181.513 bonds (distance) P-C4' energy: -182.311 flat angles C4'-P-C4' energy: -218.009 flat angles P-C4'-P energy: -138.119 tors. eta vs tors. theta energy: -245.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2288.528497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.528497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.528497 (E_RNA) where: Base-Base interactions energy: -1424.388 where: short stacking energy: -839.658 Base-Backbone interact. energy: -3.713 local terms energy: -860.427651 where: bonds (distance) C4'-P energy: -173.059 bonds (distance) P-C4' energy: -183.252 flat angles C4'-P-C4' energy: -180.966 flat angles P-C4'-P energy: -122.133 tors. eta vs tors. theta energy: -201.018 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: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2083.872035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.872035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.872035 (E_RNA) where: Base-Base interactions energy: -1285.069 where: short stacking energy: -790.271 Base-Backbone interact. energy: -1.686 local terms energy: -797.117528 where: bonds (distance) C4'-P energy: -146.761 bonds (distance) P-C4' energy: -183.796 flat angles C4'-P-C4' energy: -184.766 flat angles P-C4'-P energy: -110.899 tors. eta vs tors. theta energy: -170.895 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: 280 Temperature: 1.050000 Total energy: -1912.813540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.813540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.813540 (E_RNA) where: Base-Base interactions energy: -1165.585 where: short stacking energy: -710.797 Base-Backbone interact. energy: -1.131 local terms energy: -746.097652 where: bonds (distance) C4'-P energy: -162.067 bonds (distance) P-C4' energy: -162.341 flat angles C4'-P-C4' energy: -161.537 flat angles P-C4'-P energy: -112.827 tors. eta vs tors. theta energy: -147.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1664.893876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.893876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.893876 (E_RNA) where: Base-Base interactions energy: -919.060 where: short stacking energy: -601.345 Base-Backbone interact. energy: -1.751 local terms energy: -744.083050 where: bonds (distance) C4'-P energy: -157.629 bonds (distance) P-C4' energy: -176.708 flat angles C4'-P-C4' energy: -173.087 flat angles P-C4'-P energy: -104.119 tors. eta vs tors. theta energy: -132.541 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: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1295.270573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.270573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.270573 (E_RNA) where: Base-Base interactions energy: -678.467 where: short stacking energy: -492.693 Base-Backbone interact. energy: 5.657 local terms energy: -622.459954 where: bonds (distance) C4'-P energy: -142.327 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -170.181 flat angles P-C4'-P energy: -97.836 tors. eta vs tors. theta energy: -54.238 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: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1078.303029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.303029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.303029 (E_RNA) where: Base-Base interactions energy: -484.766 where: short stacking energy: -404.724 Base-Backbone interact. energy: -3.316 local terms energy: -590.220786 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -157.362 flat angles C4'-P-C4' energy: -168.361 flat angles P-C4'-P energy: -82.000 tors. eta vs tors. theta energy: -46.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -896.677397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.677397 (E_RNA) where: Base-Base interactions energy: -361.930 where: short stacking energy: -287.486 Base-Backbone interact. energy: -2.814 local terms energy: -531.932932 where: bonds (distance) C4'-P energy: -157.568 bonds (distance) P-C4' energy: -162.882 flat angles C4'-P-C4' energy: -141.127 flat angles P-C4'-P energy: -76.480 tors. eta vs tors. theta energy: 6.124 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: 280 Temperature: 1.300000 Total energy: -829.778209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.778209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.778209 (E_RNA) where: Base-Base interactions energy: -317.202 where: short stacking energy: -284.668 Base-Backbone interact. energy: 6.951 local terms energy: -519.526779 where: bonds (distance) C4'-P energy: -132.943 bonds (distance) P-C4' energy: -154.300 flat angles C4'-P-C4' energy: -145.410 flat angles P-C4'-P energy: -78.856 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -802.103154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.103154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.103154 (E_RNA) where: Base-Base interactions energy: -301.830 where: short stacking energy: -236.705 Base-Backbone interact. energy: -1.078 local terms energy: -499.195923 where: bonds (distance) C4'-P energy: -134.954 bonds (distance) P-C4' energy: -150.355 flat angles C4'-P-C4' energy: -137.654 flat angles P-C4'-P energy: -94.962 tors. eta vs tors. theta energy: 18.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2540.650338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.650338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.650338 (E_RNA) where: Base-Base interactions energy: -1622.816 where: short stacking energy: -951.729 Base-Backbone interact. energy: -4.056 local terms energy: -913.779026 where: bonds (distance) C4'-P energy: -188.106 bonds (distance) P-C4' energy: -172.556 flat angles C4'-P-C4' energy: -200.693 flat angles P-C4'-P energy: -130.774 tors. eta vs tors. theta energy: -221.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2364.043452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.043452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.043452 (E_RNA) where: Base-Base interactions energy: -1475.987 where: short stacking energy: -898.095 Base-Backbone interact. energy: 1.763 local terms energy: -889.819969 where: bonds (distance) C4'-P energy: -161.726 bonds (distance) P-C4' energy: -191.286 flat angles C4'-P-C4' energy: -188.292 flat angles P-C4'-P energy: -132.546 tors. eta vs tors. theta energy: -215.969 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: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2185.233837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.233837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.233837 (E_RNA) where: Base-Base interactions energy: -1325.788 where: short stacking energy: -862.550 Base-Backbone interact. energy: -0.935 local terms energy: -858.511239 where: bonds (distance) C4'-P energy: -164.832 bonds (distance) P-C4' energy: -162.120 flat angles C4'-P-C4' energy: -191.151 flat angles P-C4'-P energy: -129.505 tors. eta vs tors. theta energy: -210.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1919.635854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.635854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.635854 (E_RNA) where: Base-Base interactions energy: -1158.299 where: short stacking energy: -705.326 Base-Backbone interact. energy: -2.746 local terms energy: -758.590414 where: bonds (distance) C4'-P energy: -148.083 bonds (distance) P-C4' energy: -162.330 flat angles C4'-P-C4' energy: -177.672 flat angles P-C4'-P energy: -119.074 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: 5, replica: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1656.201140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.201140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.201140 (E_RNA) where: Base-Base interactions energy: -943.335 where: short stacking energy: -610.573 Base-Backbone interact. energy: -3.095 local terms energy: -709.771476 where: bonds (distance) C4'-P energy: -164.708 bonds (distance) P-C4' energy: -175.486 flat angles C4'-P-C4' energy: -146.905 flat angles P-C4'-P energy: -111.619 tors. eta vs tors. theta energy: -111.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1224.338733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.338733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.338733 (E_RNA) where: Base-Base interactions energy: -600.112 where: short stacking energy: -466.619 Base-Backbone interact. energy: -1.976 local terms energy: -622.251343 where: bonds (distance) C4'-P energy: -141.389 bonds (distance) P-C4' energy: -164.959 flat angles C4'-P-C4' energy: -156.489 flat angles P-C4'-P energy: -89.004 tors. eta vs tors. theta energy: -70.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1087.523626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.523626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.523626 (E_RNA) where: Base-Base interactions energy: -528.229 where: short stacking energy: -454.732 Base-Backbone interact. energy: 0.355 local terms energy: -559.649564 where: bonds (distance) C4'-P energy: -164.486 bonds (distance) P-C4' energy: -132.853 flat angles C4'-P-C4' energy: -140.300 flat angles P-C4'-P energy: -74.227 tors. eta vs tors. theta energy: -47.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -952.314266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.314266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.314266 (E_RNA) where: Base-Base interactions energy: -447.381 where: short stacking energy: -357.185 Base-Backbone interact. energy: 5.573 local terms energy: -510.505980 where: bonds (distance) C4'-P energy: -153.460 bonds (distance) P-C4' energy: -150.339 flat angles C4'-P-C4' energy: -115.906 flat angles P-C4'-P energy: -73.759 tors. eta vs tors. theta energy: -17.043 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: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -894.784128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.784128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.784128 (E_RNA) where: Base-Base interactions energy: -378.192 where: short stacking energy: -346.268 Base-Backbone interact. energy: 4.433 local terms energy: -521.024962 where: bonds (distance) C4'-P energy: -140.932 bonds (distance) P-C4' energy: -144.806 flat angles C4'-P-C4' energy: -142.945 flat angles P-C4'-P energy: -89.442 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -756.304374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.304374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.304374 (E_RNA) where: Base-Base interactions energy: -337.226 where: short stacking energy: -280.279 Base-Backbone interact. energy: 1.476 local terms energy: -420.553881 where: bonds (distance) C4'-P energy: -140.014 bonds (distance) P-C4' energy: -139.293 flat angles C4'-P-C4' energy: -112.687 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: 20.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2503.663206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.663206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.663206 (E_RNA) where: Base-Base interactions energy: -1547.547 where: short stacking energy: -899.551 Base-Backbone interact. energy: -6.981 local terms energy: -949.135384 where: bonds (distance) C4'-P energy: -196.360 bonds (distance) P-C4' energy: -168.239 flat angles C4'-P-C4' energy: -205.174 flat angles P-C4'-P energy: -143.400 tors. eta vs tors. theta energy: -235.962 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: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2377.665957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.665957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.665957 (E_RNA) where: Base-Base interactions energy: -1479.336 where: short stacking energy: -908.392 Base-Backbone interact. energy: -2.822 local terms energy: -895.508264 where: bonds (distance) C4'-P energy: -183.220 bonds (distance) P-C4' energy: -163.351 flat angles C4'-P-C4' energy: -197.025 flat angles P-C4'-P energy: -137.957 tors. eta vs tors. theta energy: -213.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2118.204651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.204651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.204651 (E_RNA) where: Base-Base interactions energy: -1261.739 where: short stacking energy: -772.112 Base-Backbone interact. energy: -2.771 local terms energy: -853.694575 where: bonds (distance) C4'-P energy: -182.798 bonds (distance) P-C4' energy: -178.697 flat angles C4'-P-C4' energy: -194.500 flat angles P-C4'-P energy: -122.055 tors. eta vs tors. theta energy: -175.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1960.700053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.700053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.700053 (E_RNA) where: Base-Base interactions energy: -1164.347 where: short stacking energy: -728.130 Base-Backbone interact. energy: 0.711 local terms energy: -797.064106 where: bonds (distance) C4'-P energy: -168.690 bonds (distance) P-C4' energy: -166.786 flat angles C4'-P-C4' energy: -175.072 flat angles P-C4'-P energy: -120.611 tors. eta vs tors. theta energy: -165.907 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: 282 Temperature: 1.100000 Total energy: -1657.586502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.586502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.586502 (E_RNA) where: Base-Base interactions energy: -948.359 where: short stacking energy: -605.713 Base-Backbone interact. energy: -0.488 local terms energy: -708.740153 where: bonds (distance) C4'-P energy: -154.207 bonds (distance) P-C4' energy: -163.237 flat angles C4'-P-C4' energy: -175.005 flat angles P-C4'-P energy: -101.490 tors. eta vs tors. theta energy: -114.801 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: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1194.029959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.029959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.029959 (E_RNA) where: Base-Base interactions energy: -584.142 where: short stacking energy: -487.488 Base-Backbone interact. energy: -3.250 local terms energy: -606.637433 where: bonds (distance) C4'-P energy: -158.826 bonds (distance) P-C4' energy: -169.232 flat angles C4'-P-C4' energy: -153.030 flat angles P-C4'-P energy: -66.324 tors. eta vs tors. theta energy: -59.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1091.885608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.885608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.885608 (E_RNA) where: Base-Base interactions energy: -534.608 where: short stacking energy: -409.356 Base-Backbone interact. energy: -1.432 local terms energy: -555.844979 where: bonds (distance) C4'-P energy: -160.783 bonds (distance) P-C4' energy: -147.856 flat angles C4'-P-C4' energy: -141.784 flat angles P-C4'-P energy: -94.658 tors. eta vs tors. theta energy: -10.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -972.962180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.962180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.962180 (E_RNA) where: Base-Base interactions energy: -422.305 where: short stacking energy: -339.399 Base-Backbone interact. energy: 5.207 local terms energy: -555.863545 where: bonds (distance) C4'-P energy: -150.062 bonds (distance) P-C4' energy: -166.619 flat angles C4'-P-C4' energy: -145.392 flat angles P-C4'-P energy: -92.365 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -870.845698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.845698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.845698 (E_RNA) where: Base-Base interactions energy: -339.894 where: short stacking energy: -275.287 Base-Backbone interact. energy: 1.091 local terms energy: -532.042825 where: bonds (distance) C4'-P energy: -171.438 bonds (distance) P-C4' energy: -171.678 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -60.659 tors. eta vs tors. theta energy: -9.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -803.900824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.900824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.900824 (E_RNA) where: Base-Base interactions energy: -351.014 where: short stacking energy: -286.505 Base-Backbone interact. energy: -0.565 local terms energy: -452.321684 where: bonds (distance) C4'-P energy: -139.121 bonds (distance) P-C4' energy: -132.593 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -54.723 tors. eta vs tors. theta energy: 9.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2521.295881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.295881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.295881 (E_RNA) where: Base-Base interactions energy: -1606.125 where: short stacking energy: -969.292 Base-Backbone interact. energy: -5.075 local terms energy: -910.095602 where: bonds (distance) C4'-P energy: -158.851 bonds (distance) P-C4' energy: -183.775 flat angles C4'-P-C4' energy: -198.159 flat angles P-C4'-P energy: -138.464 tors. eta vs tors. theta energy: -230.846 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: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2356.858918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.858918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.858918 (E_RNA) where: Base-Base interactions energy: -1474.590 where: short stacking energy: -889.997 Base-Backbone interact. energy: -1.619 local terms energy: -880.650590 where: bonds (distance) C4'-P energy: -174.181 bonds (distance) P-C4' energy: -174.325 flat angles C4'-P-C4' energy: -209.723 flat angles P-C4'-P energy: -116.976 tors. eta vs tors. theta energy: -205.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2107.808879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.808879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.808879 (E_RNA) where: Base-Base interactions energy: -1259.145 where: short stacking energy: -792.000 Base-Backbone interact. energy: 0.430 local terms energy: -849.093891 where: bonds (distance) C4'-P energy: -191.147 bonds (distance) P-C4' energy: -182.397 flat angles C4'-P-C4' energy: -178.166 flat angles P-C4'-P energy: -115.832 tors. eta vs tors. theta energy: -181.552 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: 283 Temperature: 1.050000 Total energy: -1941.096730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.096730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.096730 (E_RNA) where: Base-Base interactions energy: -1141.818 where: short stacking energy: -688.589 Base-Backbone interact. energy: -0.631 local terms energy: -798.647445 where: bonds (distance) C4'-P energy: -188.434 bonds (distance) P-C4' energy: -184.866 flat angles C4'-P-C4' energy: -184.226 flat angles P-C4'-P energy: -114.881 tors. eta vs tors. theta energy: -126.240 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: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1692.392350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.392350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.392350 (E_RNA) where: Base-Base interactions energy: -977.045 where: short stacking energy: -599.013 Base-Backbone interact. energy: -2.137 local terms energy: -713.210882 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -175.964 flat angles C4'-P-C4' energy: -192.519 flat angles P-C4'-P energy: -90.586 tors. eta vs tors. theta energy: -99.549 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: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1265.657201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.657201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.657201 (E_RNA) where: Base-Base interactions energy: -625.878 where: short stacking energy: -466.370 Base-Backbone interact. energy: -2.463 local terms energy: -637.315426 where: bonds (distance) C4'-P energy: -165.983 bonds (distance) P-C4' energy: -151.201 flat angles C4'-P-C4' energy: -172.906 flat angles P-C4'-P energy: -102.402 tors. eta vs tors. theta energy: -44.824 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: 283 Temperature: 1.200000 Total energy: -1046.253327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.253327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.253327 (E_RNA) where: Base-Base interactions energy: -501.854 where: short stacking energy: -392.555 Base-Backbone interact. energy: -0.612 local terms energy: -543.787010 where: bonds (distance) C4'-P energy: -145.280 bonds (distance) P-C4' energy: -176.044 flat angles C4'-P-C4' energy: -128.701 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -15.960 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: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -972.316109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.316109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.316109 (E_RNA) where: Base-Base interactions energy: -430.289 where: short stacking energy: -366.475 Base-Backbone interact. energy: -1.884 local terms energy: -540.142751 where: bonds (distance) C4'-P energy: -145.611 bonds (distance) P-C4' energy: -149.218 flat angles C4'-P-C4' energy: -151.878 flat angles P-C4'-P energy: -70.686 tors. eta vs tors. theta energy: -22.750 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: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -840.540351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.540351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.540351 (E_RNA) where: Base-Base interactions energy: -308.897 where: short stacking energy: -296.428 Base-Backbone interact. energy: 0.353 local terms energy: -531.996449 where: bonds (distance) C4'-P energy: -153.105 bonds (distance) P-C4' energy: -166.189 flat angles C4'-P-C4' energy: -148.537 flat angles P-C4'-P energy: -80.782 tors. eta vs tors. theta energy: 16.617 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: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -732.519635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.519635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.519635 (E_RNA) where: Base-Base interactions energy: -295.595 where: short stacking energy: -259.536 Base-Backbone interact. energy: 3.512 local terms energy: -440.436420 where: bonds (distance) C4'-P energy: -127.882 bonds (distance) P-C4' energy: -141.945 flat angles C4'-P-C4' energy: -119.504 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: 25.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2590.914269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.914269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.914269 (E_RNA) where: Base-Base interactions energy: -1644.386 where: short stacking energy: -961.024 Base-Backbone interact. energy: -6.106 local terms energy: -940.422271 where: bonds (distance) C4'-P energy: -175.851 bonds (distance) P-C4' energy: -171.808 flat angles C4'-P-C4' energy: -207.652 flat angles P-C4'-P energy: -146.702 tors. eta vs tors. theta energy: -238.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2321.815490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.815490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.815490 (E_RNA) where: Base-Base interactions energy: -1430.600 where: short stacking energy: -889.628 Base-Backbone interact. energy: -5.648 local terms energy: -885.567682 where: bonds (distance) C4'-P energy: -175.289 bonds (distance) P-C4' energy: -178.719 flat angles C4'-P-C4' energy: -201.254 flat angles P-C4'-P energy: -119.742 tors. eta vs tors. theta energy: -210.564 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: 284 Temperature: 1.000000 Total energy: -2110.756940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.756940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.756940 (E_RNA) where: Base-Base interactions energy: -1278.541 where: short stacking energy: -784.874 Base-Backbone interact. energy: -3.600 local terms energy: -828.615787 where: bonds (distance) C4'-P energy: -169.820 bonds (distance) P-C4' energy: -187.628 flat angles C4'-P-C4' energy: -193.324 flat angles P-C4'-P energy: -103.129 tors. eta vs tors. theta energy: -174.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1937.901772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.901772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.901772 (E_RNA) where: Base-Base interactions energy: -1176.573 where: short stacking energy: -726.411 Base-Backbone interact. energy: 7.642 local terms energy: -768.970694 where: bonds (distance) C4'-P energy: -169.574 bonds (distance) P-C4' energy: -155.958 flat angles C4'-P-C4' energy: -181.982 flat angles P-C4'-P energy: -119.770 tors. eta vs tors. theta energy: -141.687 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: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1680.334462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.334462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.334462 (E_RNA) where: Base-Base interactions energy: -973.136 where: short stacking energy: -615.566 Base-Backbone interact. energy: -2.635 local terms energy: -704.564153 where: bonds (distance) C4'-P energy: -130.916 bonds (distance) P-C4' energy: -173.814 flat angles C4'-P-C4' energy: -166.022 flat angles P-C4'-P energy: -101.892 tors. eta vs tors. theta energy: -131.920 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: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1242.517913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.517913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.517913 (E_RNA) where: Base-Base interactions energy: -620.274 where: short stacking energy: -468.096 Base-Backbone interact. energy: -2.175 local terms energy: -620.068699 where: bonds (distance) C4'-P energy: -137.603 bonds (distance) P-C4' energy: -159.064 flat angles C4'-P-C4' energy: -150.823 flat angles P-C4'-P energy: -101.662 tors. eta vs tors. theta energy: -70.917 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: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1067.345526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.345526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.345526 (E_RNA) where: Base-Base interactions energy: -521.488 where: short stacking energy: -437.974 Base-Backbone interact. energy: 12.307 local terms energy: -558.164607 where: bonds (distance) C4'-P energy: -151.961 bonds (distance) P-C4' energy: -126.538 flat angles C4'-P-C4' energy: -141.561 flat angles P-C4'-P energy: -89.426 tors. eta vs tors. theta energy: -48.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -937.512491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.512491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.512491 (E_RNA) where: Base-Base interactions energy: -397.989 where: short stacking energy: -337.982 Base-Backbone interact. energy: 1.636 local terms energy: -541.159441 where: bonds (distance) C4'-P energy: -145.575 bonds (distance) P-C4' energy: -168.553 flat angles C4'-P-C4' energy: -140.874 flat angles P-C4'-P energy: -80.041 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -885.361164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.361164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.361164 (E_RNA) where: Base-Base interactions energy: -363.610 where: short stacking energy: -321.083 Base-Backbone interact. energy: 2.335 local terms energy: -524.085462 where: bonds (distance) C4'-P energy: -144.940 bonds (distance) P-C4' energy: -142.657 flat angles C4'-P-C4' energy: -148.579 flat angles P-C4'-P energy: -92.606 tors. eta vs tors. theta energy: 4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -749.376932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.376932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.376932 (E_RNA) where: Base-Base interactions energy: -309.948 where: short stacking energy: -286.825 Base-Backbone interact. energy: 5.029 local terms energy: -444.458526 where: bonds (distance) C4'-P energy: -134.560 bonds (distance) P-C4' energy: -159.514 flat angles C4'-P-C4' energy: -110.053 flat angles P-C4'-P energy: -58.250 tors. eta vs tors. theta energy: 17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2656.224324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.224324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.224324 (E_RNA) where: Base-Base interactions energy: -1698.961 where: short stacking energy: -989.285 Base-Backbone interact. energy: -4.240 local terms energy: -953.023386 where: bonds (distance) C4'-P energy: -173.076 bonds (distance) P-C4' energy: -175.337 flat angles C4'-P-C4' energy: -210.794 flat angles P-C4'-P energy: -141.823 tors. eta vs tors. theta energy: -251.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2352.948894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.948894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.948894 (E_RNA) where: Base-Base interactions energy: -1489.143 where: short stacking energy: -892.078 Base-Backbone interact. energy: -2.799 local terms energy: -861.007299 where: bonds (distance) C4'-P energy: -155.564 bonds (distance) P-C4' energy: -160.447 flat angles C4'-P-C4' energy: -206.125 flat angles P-C4'-P energy: -128.626 tors. eta vs tors. theta energy: -210.245 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: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2098.572320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.572320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.572320 (E_RNA) where: Base-Base interactions energy: -1296.193 where: short stacking energy: -790.506 Base-Backbone interact. energy: -1.535 local terms energy: -800.844116 where: bonds (distance) C4'-P energy: -164.492 bonds (distance) P-C4' energy: -167.381 flat angles C4'-P-C4' energy: -195.025 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -163.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1924.628321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.628321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.628321 (E_RNA) where: Base-Base interactions energy: -1117.794 where: short stacking energy: -699.492 Base-Backbone interact. energy: -2.339 local terms energy: -804.495534 where: bonds (distance) C4'-P energy: -164.383 bonds (distance) P-C4' energy: -192.366 flat angles C4'-P-C4' energy: -165.375 flat angles P-C4'-P energy: -130.685 tors. eta vs tors. theta energy: -151.687 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: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1654.450359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.450359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.450359 (E_RNA) where: Base-Base interactions energy: -969.719 where: short stacking energy: -612.039 Base-Backbone interact. energy: 8.378 local terms energy: -693.109522 where: bonds (distance) C4'-P energy: -153.082 bonds (distance) P-C4' energy: -173.391 flat angles C4'-P-C4' energy: -161.547 flat angles P-C4'-P energy: -98.668 tors. eta vs tors. theta energy: -106.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1264.623342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.623342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.623342 (E_RNA) where: Base-Base interactions energy: -598.022 where: short stacking energy: -467.314 Base-Backbone interact. energy: -0.404 local terms energy: -666.196578 where: bonds (distance) C4'-P energy: -174.233 bonds (distance) P-C4' energy: -158.133 flat angles C4'-P-C4' energy: -166.614 flat angles P-C4'-P energy: -81.798 tors. eta vs tors. theta energy: -85.417 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: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1097.332060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.332060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.332060 (E_RNA) where: Base-Base interactions energy: -498.973 where: short stacking energy: -411.922 Base-Backbone interact. energy: -0.811 local terms energy: -597.547798 where: bonds (distance) C4'-P energy: -162.790 bonds (distance) P-C4' energy: -148.956 flat angles C4'-P-C4' energy: -153.689 flat angles P-C4'-P energy: -96.792 tors. eta vs tors. theta energy: -35.322 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: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -949.379035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.379035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.379035 (E_RNA) where: Base-Base interactions energy: -397.485 where: short stacking energy: -351.767 Base-Backbone interact. energy: 2.917 local terms energy: -554.810915 where: bonds (distance) C4'-P energy: -155.789 bonds (distance) P-C4' energy: -152.411 flat angles C4'-P-C4' energy: -141.357 flat angles P-C4'-P energy: -73.569 tors. eta vs tors. theta energy: -31.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -844.112123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.112123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.112123 (E_RNA) where: Base-Base interactions energy: -346.251 where: short stacking energy: -278.850 Base-Backbone interact. energy: 2.811 local terms energy: -500.672631 where: bonds (distance) C4'-P energy: -134.127 bonds (distance) P-C4' energy: -151.702 flat angles C4'-P-C4' energy: -140.840 flat angles P-C4'-P energy: -86.703 tors. eta vs tors. theta energy: 12.699 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: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -743.591533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.591533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.591533 (E_RNA) where: Base-Base interactions energy: -284.921 where: short stacking energy: -281.212 Base-Backbone interact. energy: 14.225 local terms energy: -472.894886 where: bonds (distance) C4'-P energy: -140.278 bonds (distance) P-C4' energy: -145.719 flat angles C4'-P-C4' energy: -115.431 flat angles P-C4'-P energy: -87.963 tors. eta vs tors. theta energy: 16.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2602.093492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.093492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.093492 (E_RNA) where: Base-Base interactions energy: -1632.601 where: short stacking energy: -957.280 Base-Backbone interact. energy: -7.636 local terms energy: -961.857105 where: bonds (distance) C4'-P energy: -180.830 bonds (distance) P-C4' energy: -178.028 flat angles C4'-P-C4' energy: -205.270 flat angles P-C4'-P energy: -159.817 tors. eta vs tors. theta energy: -237.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2423.211887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.211887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.211887 (E_RNA) where: Base-Base interactions energy: -1525.880 where: short stacking energy: -917.625 Base-Backbone interact. energy: -2.574 local terms energy: -894.757731 where: bonds (distance) C4'-P energy: -172.968 bonds (distance) P-C4' energy: -172.045 flat angles C4'-P-C4' energy: -202.993 flat angles P-C4'-P energy: -133.986 tors. eta vs tors. theta energy: -212.766 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: 286 Temperature: 1.000000 Total energy: -2060.902665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.902665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.902665 (E_RNA) where: Base-Base interactions energy: -1232.443 where: short stacking energy: -766.546 Base-Backbone interact. energy: -5.105 local terms energy: -823.354079 where: bonds (distance) C4'-P energy: -180.338 bonds (distance) P-C4' energy: -165.375 flat angles C4'-P-C4' energy: -178.714 flat angles P-C4'-P energy: -136.811 tors. eta vs tors. theta energy: -162.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1878.785518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.785518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.785518 (E_RNA) where: Base-Base interactions energy: -1106.478 where: short stacking energy: -697.689 Base-Backbone interact. energy: -0.322 local terms energy: -771.985167 where: bonds (distance) C4'-P energy: -169.276 bonds (distance) P-C4' energy: -174.390 flat angles C4'-P-C4' energy: -167.262 flat angles P-C4'-P energy: -107.752 tors. eta vs tors. theta energy: -153.305 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: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1640.328892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.328892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.328892 (E_RNA) where: Base-Base interactions energy: -924.573 where: short stacking energy: -588.359 Base-Backbone interact. energy: 0.822 local terms energy: -716.577707 where: bonds (distance) C4'-P energy: -149.363 bonds (distance) P-C4' energy: -189.899 flat angles C4'-P-C4' energy: -178.546 flat angles P-C4'-P energy: -92.045 tors. eta vs tors. theta energy: -106.724 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: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1301.253904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.253904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.253904 (E_RNA) where: Base-Base interactions energy: -622.180 where: short stacking energy: -471.939 Base-Backbone interact. energy: -3.878 local terms energy: -675.195008 where: bonds (distance) C4'-P energy: -151.863 bonds (distance) P-C4' energy: -186.140 flat angles C4'-P-C4' energy: -175.355 flat angles P-C4'-P energy: -90.426 tors. eta vs tors. theta energy: -71.412 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: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1029.637350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.637350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.637350 (E_RNA) where: Base-Base interactions energy: -487.628 where: short stacking energy: -405.570 Base-Backbone interact. energy: 0.030 local terms energy: -542.039819 where: bonds (distance) C4'-P energy: -161.672 bonds (distance) P-C4' energy: -145.815 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -79.765 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1009.147363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.147363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.147363 (E_RNA) where: Base-Base interactions energy: -468.864 where: short stacking energy: -351.017 Base-Backbone interact. energy: -1.151 local terms energy: -539.131589 where: bonds (distance) C4'-P energy: -153.179 bonds (distance) P-C4' energy: -152.767 flat angles C4'-P-C4' energy: -144.266 flat angles P-C4'-P energy: -71.411 tors. eta vs tors. theta energy: -17.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -878.230682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.230682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.230682 (E_RNA) where: Base-Base interactions energy: -383.894 where: short stacking energy: -325.512 Base-Backbone interact. energy: -3.189 local terms energy: -491.148269 where: bonds (distance) C4'-P energy: -137.585 bonds (distance) P-C4' energy: -158.655 flat angles C4'-P-C4' energy: -123.379 flat angles P-C4'-P energy: -73.032 tors. eta vs tors. theta energy: 1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -766.258591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.258591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.258591 (E_RNA) where: Base-Base interactions energy: -305.856 where: short stacking energy: -283.173 Base-Backbone interact. energy: -5.468 local terms energy: -454.934571 where: bonds (distance) C4'-P energy: -144.591 bonds (distance) P-C4' energy: -144.614 flat angles C4'-P-C4' energy: -101.721 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: 10.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2572.951337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.951337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.951337 (E_RNA) where: Base-Base interactions energy: -1631.951 where: short stacking energy: -944.512 Base-Backbone interact. energy: -4.649 local terms energy: -936.350497 where: bonds (distance) C4'-P energy: -171.481 bonds (distance) P-C4' energy: -188.518 flat angles C4'-P-C4' energy: -202.133 flat angles P-C4'-P energy: -125.514 tors. eta vs tors. theta energy: -248.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2365.300101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.300101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.300101 (E_RNA) where: Base-Base interactions energy: -1510.496 where: short stacking energy: -899.549 Base-Backbone interact. energy: 0.047 local terms energy: -854.850784 where: bonds (distance) C4'-P energy: -154.312 bonds (distance) P-C4' energy: -175.274 flat angles C4'-P-C4' energy: -190.792 flat angles P-C4'-P energy: -128.615 tors. eta vs tors. theta energy: -205.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2068.688954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.688954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.688954 (E_RNA) where: Base-Base interactions energy: -1257.460 where: short stacking energy: -796.585 Base-Backbone interact. energy: 0.253 local terms energy: -811.481440 where: bonds (distance) C4'-P energy: -167.322 bonds (distance) P-C4' energy: -187.107 flat angles C4'-P-C4' energy: -174.383 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -177.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1831.961153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.961153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.961153 (E_RNA) where: Base-Base interactions energy: -1060.234 where: short stacking energy: -700.778 Base-Backbone interact. energy: 2.907 local terms energy: -774.633515 where: bonds (distance) C4'-P energy: -153.267 bonds (distance) P-C4' energy: -170.668 flat angles C4'-P-C4' energy: -176.093 flat angles P-C4'-P energy: -129.099 tors. eta vs tors. theta energy: -145.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1657.342342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.342342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.342342 (E_RNA) where: Base-Base interactions energy: -964.307 where: short stacking energy: -596.237 Base-Backbone interact. energy: 1.478 local terms energy: -694.513055 where: bonds (distance) C4'-P energy: -149.475 bonds (distance) P-C4' energy: -167.181 flat angles C4'-P-C4' energy: -162.449 flat angles P-C4'-P energy: -108.070 tors. eta vs tors. theta energy: -107.338 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: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1332.508763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.508763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.508763 (E_RNA) where: Base-Base interactions energy: -685.160 where: short stacking energy: -512.037 Base-Backbone interact. energy: 7.482 local terms energy: -654.830647 where: bonds (distance) C4'-P energy: -154.210 bonds (distance) P-C4' energy: -173.363 flat angles C4'-P-C4' energy: -154.095 flat angles P-C4'-P energy: -97.345 tors. eta vs tors. theta energy: -75.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1038.998222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.998222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.998222 (E_RNA) where: Base-Base interactions energy: -470.124 where: short stacking energy: -376.209 Base-Backbone interact. energy: 2.480 local terms energy: -571.354726 where: bonds (distance) C4'-P energy: -150.814 bonds (distance) P-C4' energy: -137.607 flat angles C4'-P-C4' energy: -155.403 flat angles P-C4'-P energy: -105.210 tors. eta vs tors. theta energy: -22.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -988.456556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.456556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.456556 (E_RNA) where: Base-Base interactions energy: -455.676 where: short stacking energy: -348.336 Base-Backbone interact. energy: 2.456 local terms energy: -535.236223 where: bonds (distance) C4'-P energy: -148.786 bonds (distance) P-C4' energy: -166.442 flat angles C4'-P-C4' energy: -134.263 flat angles P-C4'-P energy: -84.085 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -867.676657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.676657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.676657 (E_RNA) where: Base-Base interactions energy: -367.478 where: short stacking energy: -328.495 Base-Backbone interact. energy: 5.854 local terms energy: -506.052382 where: bonds (distance) C4'-P energy: -135.678 bonds (distance) P-C4' energy: -157.283 flat angles C4'-P-C4' energy: -131.725 flat angles P-C4'-P energy: -65.034 tors. eta vs tors. theta energy: -16.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -762.735455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.735455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.735455 (E_RNA) where: Base-Base interactions energy: -292.955 where: short stacking energy: -261.441 Base-Backbone interact. energy: 1.493 local terms energy: -471.272868 where: bonds (distance) C4'-P energy: -149.468 bonds (distance) P-C4' energy: -160.006 flat angles C4'-P-C4' energy: -137.915 flat angles P-C4'-P energy: -54.904 tors. eta vs tors. theta energy: 31.021 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: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2596.387898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.387898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.387898 (E_RNA) where: Base-Base interactions energy: -1643.443 where: short stacking energy: -949.408 Base-Backbone interact. energy: -9.538 local terms energy: -943.406196 where: bonds (distance) C4'-P energy: -184.089 bonds (distance) P-C4' energy: -187.075 flat angles C4'-P-C4' energy: -199.877 flat angles P-C4'-P energy: -141.178 tors. eta vs tors. theta energy: -231.187 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: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2400.249961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.249961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.249961 (E_RNA) where: Base-Base interactions energy: -1487.575 where: short stacking energy: -896.907 Base-Backbone interact. energy: -4.481 local terms energy: -908.193752 where: bonds (distance) C4'-P energy: -175.101 bonds (distance) P-C4' energy: -175.005 flat angles C4'-P-C4' energy: -196.951 flat angles P-C4'-P energy: -135.794 tors. eta vs tors. theta energy: -225.343 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: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2060.996644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.996644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.996644 (E_RNA) where: Base-Base interactions energy: -1255.717 where: short stacking energy: -777.316 Base-Backbone interact. energy: -2.362 local terms energy: -802.918116 where: bonds (distance) C4'-P energy: -152.967 bonds (distance) P-C4' energy: -161.549 flat angles C4'-P-C4' energy: -196.324 flat angles P-C4'-P energy: -122.637 tors. eta vs tors. theta energy: -169.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1852.275783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.275783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.275783 (E_RNA) where: Base-Base interactions energy: -1064.906 where: short stacking energy: -683.820 Base-Backbone interact. energy: -1.713 local terms energy: -785.656815 where: bonds (distance) C4'-P energy: -157.426 bonds (distance) P-C4' energy: -177.569 flat angles C4'-P-C4' energy: -182.687 flat angles P-C4'-P energy: -127.461 tors. eta vs tors. theta energy: -140.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1714.061723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.061723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.061723 (E_RNA) where: Base-Base interactions energy: -1013.117 where: short stacking energy: -625.621 Base-Backbone interact. energy: -4.567 local terms energy: -696.378270 where: bonds (distance) C4'-P energy: -155.427 bonds (distance) P-C4' energy: -172.557 flat angles C4'-P-C4' energy: -147.706 flat angles P-C4'-P energy: -99.786 tors. eta vs tors. theta energy: -120.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1336.686909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.686909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.686909 (E_RNA) where: Base-Base interactions energy: -715.663 where: short stacking energy: -506.602 Base-Backbone interact. energy: -2.566 local terms energy: -618.458180 where: bonds (distance) C4'-P energy: -164.417 bonds (distance) P-C4' energy: -159.210 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -88.962 tors. eta vs tors. theta energy: -70.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1026.600034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.600034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.600034 (E_RNA) where: Base-Base interactions energy: -492.635 where: short stacking energy: -393.497 Base-Backbone interact. energy: -0.621 local terms energy: -533.343635 where: bonds (distance) C4'-P energy: -130.007 bonds (distance) P-C4' energy: -138.996 flat angles C4'-P-C4' energy: -146.717 flat angles P-C4'-P energy: -86.854 tors. eta vs tors. theta energy: -30.771 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: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1004.327468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.327468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.327468 (E_RNA) where: Base-Base interactions energy: -463.826 where: short stacking energy: -374.478 Base-Backbone interact. energy: -5.455 local terms energy: -535.046466 where: bonds (distance) C4'-P energy: -144.417 bonds (distance) P-C4' energy: -146.913 flat angles C4'-P-C4' energy: -142.844 flat angles P-C4'-P energy: -74.587 tors. eta vs tors. theta energy: -26.285 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: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -859.062697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.062697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.062697 (E_RNA) where: Base-Base interactions energy: -344.107 where: short stacking energy: -309.708 Base-Backbone interact. energy: -1.304 local terms energy: -513.652470 where: bonds (distance) C4'-P energy: -151.350 bonds (distance) P-C4' energy: -154.486 flat angles C4'-P-C4' energy: -130.110 flat angles P-C4'-P energy: -74.376 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -799.942146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.942146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.942146 (E_RNA) where: Base-Base interactions energy: -327.386 where: short stacking energy: -284.182 Base-Backbone interact. energy: -3.103 local terms energy: -469.452836 where: bonds (distance) C4'-P energy: -134.741 bonds (distance) P-C4' energy: -139.769 flat angles C4'-P-C4' energy: -149.086 flat angles P-C4'-P energy: -70.463 tors. eta vs tors. theta energy: 24.605 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: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2541.830277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.830277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.830277 (E_RNA) where: Base-Base interactions energy: -1599.445 where: short stacking energy: -957.560 Base-Backbone interact. energy: -8.249 local terms energy: -934.136160 where: bonds (distance) C4'-P energy: -180.179 bonds (distance) P-C4' energy: -186.593 flat angles C4'-P-C4' energy: -199.199 flat angles P-C4'-P energy: -133.919 tors. eta vs tors. theta energy: -234.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2342.567533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.567533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.567533 (E_RNA) where: Base-Base interactions energy: -1418.484 where: short stacking energy: -852.012 Base-Backbone interact. energy: -1.748 local terms energy: -922.335325 where: bonds (distance) C4'-P energy: -164.304 bonds (distance) P-C4' energy: -208.257 flat angles C4'-P-C4' energy: -201.315 flat angles P-C4'-P energy: -124.846 tors. eta vs tors. theta energy: -223.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2064.182867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.182867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.182867 (E_RNA) where: Base-Base interactions energy: -1242.561 where: short stacking energy: -797.748 Base-Backbone interact. energy: -2.526 local terms energy: -819.096811 where: bonds (distance) C4'-P energy: -164.846 bonds (distance) P-C4' energy: -173.134 flat angles C4'-P-C4' energy: -188.217 flat angles P-C4'-P energy: -123.906 tors. eta vs tors. theta energy: -168.994 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1888.688108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.688108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.688108 (E_RNA) where: Base-Base interactions energy: -1106.955 where: short stacking energy: -720.517 Base-Backbone interact. energy: 0.425 local terms energy: -782.157823 where: bonds (distance) C4'-P energy: -168.737 bonds (distance) P-C4' energy: -160.068 flat angles C4'-P-C4' energy: -186.134 flat angles P-C4'-P energy: -106.920 tors. eta vs tors. theta energy: -160.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1693.933996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.933996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.933996 (E_RNA) where: Base-Base interactions energy: -987.835 where: short stacking energy: -610.600 Base-Backbone interact. energy: -4.482 local terms energy: -701.616898 where: bonds (distance) C4'-P energy: -164.138 bonds (distance) P-C4' energy: -164.103 flat angles C4'-P-C4' energy: -152.515 flat angles P-C4'-P energy: -98.946 tors. eta vs tors. theta energy: -121.915 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: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1321.582221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.582221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.582221 (E_RNA) where: Base-Base interactions energy: -697.099 where: short stacking energy: -475.410 Base-Backbone interact. energy: -2.439 local terms energy: -622.043354 where: bonds (distance) C4'-P energy: -154.379 bonds (distance) P-C4' energy: -167.691 flat angles C4'-P-C4' energy: -158.709 flat angles P-C4'-P energy: -89.087 tors. eta vs tors. theta energy: -52.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1073.555233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.555233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.555233 (E_RNA) where: Base-Base interactions energy: -477.161 where: short stacking energy: -377.952 Base-Backbone interact. energy: -6.185 local terms energy: -590.209219 where: bonds (distance) C4'-P energy: -132.957 bonds (distance) P-C4' energy: -159.708 flat angles C4'-P-C4' energy: -176.154 flat angles P-C4'-P energy: -95.148 tors. eta vs tors. theta energy: -26.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -941.339837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.339837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.339837 (E_RNA) where: Base-Base interactions energy: -406.072 where: short stacking energy: -353.180 Base-Backbone interact. energy: 3.823 local terms energy: -539.090943 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -170.466 flat angles C4'-P-C4' energy: -118.370 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -14.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -835.627881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.627881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.627881 (E_RNA) where: Base-Base interactions energy: -371.733 where: short stacking energy: -337.002 Base-Backbone interact. energy: -3.642 local terms energy: -460.253444 where: bonds (distance) C4'-P energy: -133.444 bonds (distance) P-C4' energy: -165.860 flat angles C4'-P-C4' energy: -101.285 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -766.263503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.263503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.263503 (E_RNA) where: Base-Base interactions energy: -299.918 where: short stacking energy: -260.580 Base-Backbone interact. energy: 13.318 local terms energy: -479.663564 where: bonds (distance) C4'-P energy: -170.165 bonds (distance) P-C4' energy: -150.477 flat angles C4'-P-C4' energy: -126.140 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: 24.021 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: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2515.448099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.448099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.448099 (E_RNA) where: Base-Base interactions energy: -1598.779 where: short stacking energy: -959.599 Base-Backbone interact. energy: -12.524 local terms energy: -904.144966 where: bonds (distance) C4'-P energy: -169.001 bonds (distance) P-C4' energy: -172.501 flat angles C4'-P-C4' energy: -214.453 flat angles P-C4'-P energy: -120.459 tors. eta vs tors. theta energy: -227.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2393.800619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.800619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.800619 (E_RNA) where: Base-Base interactions energy: -1494.214 where: short stacking energy: -924.766 Base-Backbone interact. energy: -2.968 local terms energy: -896.618913 where: bonds (distance) C4'-P energy: -177.678 bonds (distance) P-C4' energy: -175.990 flat angles C4'-P-C4' energy: -195.775 flat angles P-C4'-P energy: -126.625 tors. eta vs tors. theta energy: -220.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2085.601745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.601745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.601745 (E_RNA) where: Base-Base interactions energy: -1288.156 where: short stacking energy: -770.465 Base-Backbone interact. energy: -3.330 local terms energy: -794.115692 where: bonds (distance) C4'-P energy: -151.594 bonds (distance) P-C4' energy: -181.784 flat angles C4'-P-C4' energy: -175.977 flat angles P-C4'-P energy: -118.260 tors. eta vs tors. theta energy: -166.500 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: 290 Temperature: 1.050000 Total energy: -1829.972228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.972228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.972228 (E_RNA) where: Base-Base interactions energy: -1093.157 where: short stacking energy: -712.049 Base-Backbone interact. energy: 2.392 local terms energy: -739.207454 where: bonds (distance) C4'-P energy: -145.256 bonds (distance) P-C4' energy: -172.222 flat angles C4'-P-C4' energy: -174.343 flat angles P-C4'-P energy: -107.455 tors. eta vs tors. theta energy: -139.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1739.198012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.198012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.198012 (E_RNA) where: Base-Base interactions energy: -996.093 where: short stacking energy: -643.318 Base-Backbone interact. energy: -3.409 local terms energy: -739.696596 where: bonds (distance) C4'-P energy: -160.859 bonds (distance) P-C4' energy: -162.060 flat angles C4'-P-C4' energy: -171.027 flat angles P-C4'-P energy: -105.939 tors. eta vs tors. theta energy: -139.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1373.614818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.614818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.614818 (E_RNA) where: Base-Base interactions energy: -728.201 where: short stacking energy: -543.435 Base-Backbone interact. energy: 5.273 local terms energy: -650.687241 where: bonds (distance) C4'-P energy: -148.670 bonds (distance) P-C4' energy: -152.985 flat angles C4'-P-C4' energy: -158.165 flat angles P-C4'-P energy: -102.457 tors. eta vs tors. theta energy: -88.410 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: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1098.194005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.194005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.194005 (E_RNA) where: Base-Base interactions energy: -488.361 where: short stacking energy: -428.108 Base-Backbone interact. energy: -0.115 local terms energy: -609.717874 where: bonds (distance) C4'-P energy: -165.355 bonds (distance) P-C4' energy: -175.197 flat angles C4'-P-C4' energy: -143.445 flat angles P-C4'-P energy: -97.573 tors. eta vs tors. theta energy: -28.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1021.646415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.646415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.646415 (E_RNA) where: Base-Base interactions energy: -499.339 where: short stacking energy: -376.081 Base-Backbone interact. energy: 8.656 local terms energy: -530.963426 where: bonds (distance) C4'-P energy: -147.098 bonds (distance) P-C4' energy: -143.355 flat angles C4'-P-C4' energy: -149.659 flat angles P-C4'-P energy: -87.673 tors. eta vs tors. theta energy: -3.178 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: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -827.865067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.865067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.865067 (E_RNA) where: Base-Base interactions energy: -325.466 where: short stacking energy: -277.222 Base-Backbone interact. energy: -1.564 local terms energy: -500.835269 where: bonds (distance) C4'-P energy: -149.088 bonds (distance) P-C4' energy: -164.834 flat angles C4'-P-C4' energy: -99.922 flat angles P-C4'-P energy: -77.238 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -775.545785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.545785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.545785 (E_RNA) where: Base-Base interactions energy: -287.150 where: short stacking energy: -265.577 Base-Backbone interact. energy: -1.236 local terms energy: -487.160204 where: bonds (distance) C4'-P energy: -170.628 bonds (distance) P-C4' energy: -142.706 flat angles C4'-P-C4' energy: -123.422 flat angles P-C4'-P energy: -68.953 tors. eta vs tors. theta energy: 18.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2538.535059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.535059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.535059 (E_RNA) where: Base-Base interactions energy: -1600.747 where: short stacking energy: -944.436 Base-Backbone interact. energy: -4.676 local terms energy: -933.111440 where: bonds (distance) C4'-P energy: -169.803 bonds (distance) P-C4' energy: -186.149 flat angles C4'-P-C4' energy: -208.705 flat angles P-C4'-P energy: -136.234 tors. eta vs tors. theta energy: -232.221 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2390.273330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.273330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.273330 (E_RNA) where: Base-Base interactions energy: -1496.191 where: short stacking energy: -889.039 Base-Backbone interact. energy: 1.947 local terms energy: -896.029592 where: bonds (distance) C4'-P energy: -181.455 bonds (distance) P-C4' energy: -180.440 flat angles C4'-P-C4' energy: -190.785 flat angles P-C4'-P energy: -118.185 tors. eta vs tors. theta energy: -225.164 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: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2119.502662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.502662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.502662 (E_RNA) where: Base-Base interactions energy: -1291.397 where: short stacking energy: -784.874 Base-Backbone interact. energy: -0.783 local terms energy: -827.323419 where: bonds (distance) C4'-P energy: -166.422 bonds (distance) P-C4' energy: -175.744 flat angles C4'-P-C4' energy: -187.939 flat angles P-C4'-P energy: -117.052 tors. eta vs tors. theta energy: -180.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1944.226843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.226843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.226843 (E_RNA) where: Base-Base interactions energy: -1175.587 where: short stacking energy: -762.510 Base-Backbone interact. energy: -3.722 local terms energy: -764.917759 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -141.030 flat angles C4'-P-C4' energy: -187.478 flat angles P-C4'-P energy: -105.454 tors. eta vs tors. theta energy: -180.494 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: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1729.316333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.316333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.316333 (E_RNA) where: Base-Base interactions energy: -979.497 where: short stacking energy: -634.957 Base-Backbone interact. energy: -2.544 local terms energy: -747.275260 where: bonds (distance) C4'-P energy: -145.251 bonds (distance) P-C4' energy: -189.920 flat angles C4'-P-C4' energy: -170.752 flat angles P-C4'-P energy: -103.621 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: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1337.328676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.328676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.328676 (E_RNA) where: Base-Base interactions energy: -705.780 where: short stacking energy: -496.720 Base-Backbone interact. energy: 3.112 local terms energy: -634.660426 where: bonds (distance) C4'-P energy: -172.981 bonds (distance) P-C4' energy: -145.530 flat angles C4'-P-C4' energy: -156.318 flat angles P-C4'-P energy: -88.697 tors. eta vs tors. theta energy: -71.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1096.986147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.986147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.986147 (E_RNA) where: Base-Base interactions energy: -524.042 where: short stacking energy: -413.792 Base-Backbone interact. energy: 0.420 local terms energy: -573.364758 where: bonds (distance) C4'-P energy: -117.974 bonds (distance) P-C4' energy: -183.371 flat angles C4'-P-C4' energy: -155.940 flat angles P-C4'-P energy: -94.299 tors. eta vs tors. theta energy: -21.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -926.274921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.274921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.274921 (E_RNA) where: Base-Base interactions energy: -407.787 where: short stacking energy: -354.988 Base-Backbone interact. energy: -3.569 local terms energy: -514.919624 where: bonds (distance) C4'-P energy: -139.679 bonds (distance) P-C4' energy: -143.315 flat angles C4'-P-C4' energy: -119.030 flat angles P-C4'-P energy: -87.372 tors. eta vs tors. theta energy: -25.525 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: 291 Temperature: 1.300000 Total energy: -850.066023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.066023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.066023 (E_RNA) where: Base-Base interactions energy: -323.460 where: short stacking energy: -296.057 Base-Backbone interact. energy: 6.938 local terms energy: -533.544587 where: bonds (distance) C4'-P energy: -154.372 bonds (distance) P-C4' energy: -165.145 flat angles C4'-P-C4' energy: -147.895 flat angles P-C4'-P energy: -70.195 tors. eta vs tors. theta energy: 4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -767.190342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.190342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.190342 (E_RNA) where: Base-Base interactions energy: -300.704 where: short stacking energy: -277.735 Base-Backbone interact. energy: 1.236 local terms energy: -467.722247 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -151.841 flat angles C4'-P-C4' energy: -106.916 flat angles P-C4'-P energy: -98.247 tors. eta vs tors. theta energy: 19.702 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: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2538.851413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.851413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.851413 (E_RNA) where: Base-Base interactions energy: -1621.681 where: short stacking energy: -952.633 Base-Backbone interact. energy: -3.647 local terms energy: -913.522864 where: bonds (distance) C4'-P energy: -168.020 bonds (distance) P-C4' energy: -181.840 flat angles C4'-P-C4' energy: -201.729 flat angles P-C4'-P energy: -134.453 tors. eta vs tors. theta energy: -227.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2432.426102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.426102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.426102 (E_RNA) where: Base-Base interactions energy: -1542.324 where: short stacking energy: -908.763 Base-Backbone interact. energy: -4.785 local terms energy: -885.317552 where: bonds (distance) C4'-P energy: -167.967 bonds (distance) P-C4' energy: -167.983 flat angles C4'-P-C4' energy: -183.632 flat angles P-C4'-P energy: -135.280 tors. eta vs tors. theta energy: -230.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2098.081079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.081079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.081079 (E_RNA) where: Base-Base interactions energy: -1266.693 where: short stacking energy: -764.729 Base-Backbone interact. energy: -5.218 local terms energy: -826.170027 where: bonds (distance) C4'-P energy: -175.816 bonds (distance) P-C4' energy: -176.335 flat angles C4'-P-C4' energy: -189.086 flat angles P-C4'-P energy: -120.630 tors. eta vs tors. theta energy: -164.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1903.610842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.610842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.610842 (E_RNA) where: Base-Base interactions energy: -1147.771 where: short stacking energy: -727.554 Base-Backbone interact. energy: -4.774 local terms energy: -751.066671 where: bonds (distance) C4'-P energy: -149.333 bonds (distance) P-C4' energy: -163.177 flat angles C4'-P-C4' energy: -176.013 flat angles P-C4'-P energy: -113.843 tors. eta vs tors. theta energy: -148.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1668.891719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.891719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.891719 (E_RNA) where: Base-Base interactions energy: -992.827 where: short stacking energy: -571.102 Base-Backbone interact. energy: -4.350 local terms energy: -671.714187 where: bonds (distance) C4'-P energy: -173.058 bonds (distance) P-C4' energy: -163.537 flat angles C4'-P-C4' energy: -167.725 flat angles P-C4'-P energy: -90.938 tors. eta vs tors. theta energy: -76.456 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: 6, replica: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1317.230865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.230865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.230865 (E_RNA) where: Base-Base interactions energy: -681.110 where: short stacking energy: -472.977 Base-Backbone interact. energy: -1.096 local terms energy: -635.024644 where: bonds (distance) C4'-P energy: -156.349 bonds (distance) P-C4' energy: -169.482 flat angles C4'-P-C4' energy: -155.546 flat angles P-C4'-P energy: -96.789 tors. eta vs tors. theta energy: -56.858 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: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1049.376902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.376902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.376902 (E_RNA) where: Base-Base interactions energy: -490.330 where: short stacking energy: -419.038 Base-Backbone interact. energy: 6.542 local terms energy: -565.588464 where: bonds (distance) C4'-P energy: -151.817 bonds (distance) P-C4' energy: -156.650 flat angles C4'-P-C4' energy: -151.342 flat angles P-C4'-P energy: -77.456 tors. eta vs tors. theta energy: -28.323 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: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -942.981345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.981345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.981345 (E_RNA) where: Base-Base interactions energy: -407.684 where: short stacking energy: -339.123 Base-Backbone interact. energy: -2.790 local terms energy: -532.507344 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -158.001 flat angles C4'-P-C4' energy: -151.257 flat angles P-C4'-P energy: -79.807 tors. eta vs tors. theta energy: 0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -772.342030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.342030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.342030 (E_RNA) where: Base-Base interactions energy: -274.530 where: short stacking energy: -256.922 Base-Backbone interact. energy: -6.286 local terms energy: -491.526132 where: bonds (distance) C4'-P energy: -164.441 bonds (distance) P-C4' energy: -158.534 flat angles C4'-P-C4' energy: -135.414 flat angles P-C4'-P energy: -57.089 tors. eta vs tors. theta energy: 23.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -754.765848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.765848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.765848 (E_RNA) where: Base-Base interactions energy: -266.644 where: short stacking energy: -245.415 Base-Backbone interact. energy: 0.388 local terms energy: -488.510566 where: bonds (distance) C4'-P energy: -149.421 bonds (distance) P-C4' energy: -140.312 flat angles C4'-P-C4' energy: -142.041 flat angles P-C4'-P energy: -75.971 tors. eta vs tors. theta energy: 19.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2598.330115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.330115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.330115 (E_RNA) where: Base-Base interactions energy: -1643.150 where: short stacking energy: -937.958 Base-Backbone interact. energy: -10.989 local terms energy: -944.191228 where: bonds (distance) C4'-P energy: -179.636 bonds (distance) P-C4' energy: -178.001 flat angles C4'-P-C4' energy: -208.688 flat angles P-C4'-P energy: -134.515 tors. eta vs tors. theta energy: -243.351 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2402.819014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.819014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.819014 (E_RNA) where: Base-Base interactions energy: -1476.170 where: short stacking energy: -881.943 Base-Backbone interact. energy: -3.658 local terms energy: -922.990665 where: bonds (distance) C4'-P energy: -194.821 bonds (distance) P-C4' energy: -174.486 flat angles C4'-P-C4' energy: -194.671 flat angles P-C4'-P energy: -141.314 tors. eta vs tors. theta energy: -217.699 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: 3, replica: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2113.870827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.870827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.870827 (E_RNA) where: Base-Base interactions energy: -1268.924 where: short stacking energy: -790.006 Base-Backbone interact. energy: 1.008 local terms energy: -845.954843 where: bonds (distance) C4'-P energy: -161.495 bonds (distance) P-C4' energy: -180.158 flat angles C4'-P-C4' energy: -184.364 flat angles P-C4'-P energy: -126.724 tors. eta vs tors. theta energy: -193.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1891.725260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.725260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.725260 (E_RNA) where: Base-Base interactions energy: -1123.838 where: short stacking energy: -716.874 Base-Backbone interact. energy: 8.242 local terms energy: -776.129068 where: bonds (distance) C4'-P energy: -165.796 bonds (distance) P-C4' energy: -167.274 flat angles C4'-P-C4' energy: -190.611 flat angles P-C4'-P energy: -108.931 tors. eta vs tors. theta energy: -143.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1719.196091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.196091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.196091 (E_RNA) where: Base-Base interactions energy: -1038.409 where: short stacking energy: -643.862 Base-Backbone interact. energy: -0.543 local terms energy: -680.243980 where: bonds (distance) C4'-P energy: -155.424 bonds (distance) P-C4' energy: -141.363 flat angles C4'-P-C4' energy: -164.502 flat angles P-C4'-P energy: -96.074 tors. eta vs tors. theta energy: -122.881 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: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1365.412836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.412836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.412836 (E_RNA) where: Base-Base interactions energy: -723.208 where: short stacking energy: -525.094 Base-Backbone interact. energy: 8.833 local terms energy: -651.037701 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -160.941 flat angles C4'-P-C4' energy: -162.005 flat angles P-C4'-P energy: -90.086 tors. eta vs tors. theta energy: -82.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1031.320195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.320195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.320195 (E_RNA) where: Base-Base interactions energy: -475.787 where: short stacking energy: -413.273 Base-Backbone interact. energy: 0.042 local terms energy: -555.575270 where: bonds (distance) C4'-P energy: -145.653 bonds (distance) P-C4' energy: -171.015 flat angles C4'-P-C4' energy: -143.085 flat angles P-C4'-P energy: -65.345 tors. eta vs tors. theta energy: -30.478 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: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -981.171649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.171649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.171649 (E_RNA) where: Base-Base interactions energy: -421.376 where: short stacking energy: -361.946 Base-Backbone interact. energy: 1.389 local terms energy: -561.184426 where: bonds (distance) C4'-P energy: -145.697 bonds (distance) P-C4' energy: -141.613 flat angles C4'-P-C4' energy: -165.437 flat angles P-C4'-P energy: -84.842 tors. eta vs tors. theta energy: -23.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -844.917712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.917712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.917712 (E_RNA) where: Base-Base interactions energy: -353.465 where: short stacking energy: -305.612 Base-Backbone interact. energy: 3.413 local terms energy: -494.865816 where: bonds (distance) C4'-P energy: -127.234 bonds (distance) P-C4' energy: -144.939 flat angles C4'-P-C4' energy: -134.052 flat angles P-C4'-P energy: -109.577 tors. eta vs tors. theta energy: 20.936 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: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -749.519286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.519286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.519286 (E_RNA) where: Base-Base interactions energy: -303.574 where: short stacking energy: -276.965 Base-Backbone interact. energy: 6.165 local terms energy: -452.110451 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -151.117 flat angles C4'-P-C4' energy: -116.792 flat angles P-C4'-P energy: -55.645 tors. eta vs tors. theta energy: 4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2590.225952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.225952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.225952 (E_RNA) where: Base-Base interactions energy: -1624.128 where: short stacking energy: -958.619 Base-Backbone interact. energy: 0.114 local terms energy: -966.212190 where: bonds (distance) C4'-P energy: -191.283 bonds (distance) P-C4' energy: -183.827 flat angles C4'-P-C4' energy: -216.286 flat angles P-C4'-P energy: -126.464 tors. eta vs tors. theta energy: -248.352 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: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2393.905160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.905160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.905160 (E_RNA) where: Base-Base interactions energy: -1481.021 where: short stacking energy: -898.146 Base-Backbone interact. energy: 0.312 local terms energy: -913.196383 where: bonds (distance) C4'-P energy: -169.244 bonds (distance) P-C4' energy: -187.734 flat angles C4'-P-C4' energy: -204.595 flat angles P-C4'-P energy: -124.604 tors. eta vs tors. theta energy: -227.019 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: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2145.393266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.393266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.393266 (E_RNA) where: Base-Base interactions energy: -1282.196 where: short stacking energy: -834.945 Base-Backbone interact. energy: -3.344 local terms energy: -859.852957 where: bonds (distance) C4'-P energy: -171.398 bonds (distance) P-C4' energy: -181.626 flat angles C4'-P-C4' energy: -184.881 flat angles P-C4'-P energy: -124.069 tors. eta vs tors. theta energy: -197.879 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: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1935.936165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.936165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.936165 (E_RNA) where: Base-Base interactions energy: -1143.939 where: short stacking energy: -754.202 Base-Backbone interact. energy: -2.287 local terms energy: -789.710380 where: bonds (distance) C4'-P energy: -161.070 bonds (distance) P-C4' energy: -165.674 flat angles C4'-P-C4' energy: -178.213 flat angles P-C4'-P energy: -120.651 tors. eta vs tors. theta energy: -164.102 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: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1658.046025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.046025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.046025 (E_RNA) where: Base-Base interactions energy: -989.614 where: short stacking energy: -597.117 Base-Backbone interact. energy: 0.942 local terms energy: -669.373751 where: bonds (distance) C4'-P energy: -143.347 bonds (distance) P-C4' energy: -168.081 flat angles C4'-P-C4' energy: -163.837 flat angles P-C4'-P energy: -87.341 tors. eta vs tors. theta energy: -106.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1395.744863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.744863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.744863 (E_RNA) where: Base-Base interactions energy: -786.363 where: short stacking energy: -546.249 Base-Backbone interact. energy: -1.800 local terms energy: -607.581792 where: bonds (distance) C4'-P energy: -164.005 bonds (distance) P-C4' energy: -139.965 flat angles C4'-P-C4' energy: -136.377 flat angles P-C4'-P energy: -95.064 tors. eta vs tors. theta energy: -72.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1080.384242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.384242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.384242 (E_RNA) where: Base-Base interactions energy: -507.776 where: short stacking energy: -407.318 Base-Backbone interact. energy: 3.007 local terms energy: -575.615943 where: bonds (distance) C4'-P energy: -159.304 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -140.340 flat angles P-C4'-P energy: -88.489 tors. eta vs tors. theta energy: -32.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1033.418553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.418553 (E_RNA) where: Base-Base interactions energy: -495.428 where: short stacking energy: -417.908 Base-Backbone interact. energy: -5.610 local terms energy: -532.380777 where: bonds (distance) C4'-P energy: -134.771 bonds (distance) P-C4' energy: -150.779 flat angles C4'-P-C4' energy: -128.721 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: -50.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -813.373035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.373035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.373035 (E_RNA) where: Base-Base interactions energy: -339.007 where: short stacking energy: -307.156 Base-Backbone interact. energy: -3.592 local terms energy: -470.773706 where: bonds (distance) C4'-P energy: -140.285 bonds (distance) P-C4' energy: -138.180 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -11.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -802.243995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.243995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.243995 (E_RNA) where: Base-Base interactions energy: -292.618 where: short stacking energy: -250.206 Base-Backbone interact. energy: -3.712 local terms energy: -505.913273 where: bonds (distance) C4'-P energy: -130.003 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -136.855 flat angles P-C4'-P energy: -98.622 tors. eta vs tors. theta energy: 18.500 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: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2539.429209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.429209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.429209 (E_RNA) where: Base-Base interactions energy: -1579.131 where: short stacking energy: -913.551 Base-Backbone interact. energy: -6.313 local terms energy: -953.985033 where: bonds (distance) C4'-P energy: -182.689 bonds (distance) P-C4' energy: -192.332 flat angles C4'-P-C4' energy: -220.158 flat angles P-C4'-P energy: -124.440 tors. eta vs tors. theta energy: -234.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2393.893443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.893443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.893443 (E_RNA) where: Base-Base interactions energy: -1486.631 where: short stacking energy: -910.372 Base-Backbone interact. energy: -3.317 local terms energy: -903.945729 where: bonds (distance) C4'-P energy: -174.171 bonds (distance) P-C4' energy: -171.173 flat angles C4'-P-C4' energy: -200.725 flat angles P-C4'-P energy: -131.572 tors. eta vs tors. theta energy: -226.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2131.871779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.871779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.871779 (E_RNA) where: Base-Base interactions energy: -1286.451 where: short stacking energy: -838.217 Base-Backbone interact. energy: -1.141 local terms energy: -844.280310 where: bonds (distance) C4'-P energy: -172.549 bonds (distance) P-C4' energy: -162.101 flat angles C4'-P-C4' energy: -196.003 flat angles P-C4'-P energy: -114.634 tors. eta vs tors. theta energy: -198.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1972.567781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.567781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.567781 (E_RNA) where: Base-Base interactions energy: -1180.768 where: short stacking energy: -743.445 Base-Backbone interact. energy: -1.881 local terms energy: -789.918807 where: bonds (distance) C4'-P energy: -172.891 bonds (distance) P-C4' energy: -167.487 flat angles C4'-P-C4' energy: -173.022 flat angles P-C4'-P energy: -107.229 tors. eta vs tors. theta energy: -169.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1771.923448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.923448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.923448 (E_RNA) where: Base-Base interactions energy: -1050.265 where: short stacking energy: -623.371 Base-Backbone interact. energy: -0.453 local terms energy: -721.205416 where: bonds (distance) C4'-P energy: -169.088 bonds (distance) P-C4' energy: -161.772 flat angles C4'-P-C4' energy: -150.289 flat angles P-C4'-P energy: -121.013 tors. eta vs tors. theta energy: -119.043 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: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1342.335115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.335115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.335115 (E_RNA) where: Base-Base interactions energy: -708.806 where: short stacking energy: -441.185 Base-Backbone interact. energy: -3.481 local terms energy: -630.047910 where: bonds (distance) C4'-P energy: -148.637 bonds (distance) P-C4' energy: -159.559 flat angles C4'-P-C4' energy: -162.900 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -51.595 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: 295 Temperature: 1.200000 Total energy: -1023.517846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.517846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.517846 (E_RNA) where: Base-Base interactions energy: -425.541 where: short stacking energy: -365.472 Base-Backbone interact. energy: 1.080 local terms energy: -599.056775 where: bonds (distance) C4'-P energy: -129.530 bonds (distance) P-C4' energy: -163.970 flat angles C4'-P-C4' energy: -171.492 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -30.692 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: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -984.310143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.310143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.310143 (E_RNA) where: Base-Base interactions energy: -461.417 where: short stacking energy: -353.441 Base-Backbone interact. energy: 0.492 local terms energy: -523.385612 where: bonds (distance) C4'-P energy: -144.058 bonds (distance) P-C4' energy: -142.812 flat angles C4'-P-C4' energy: -127.209 flat angles P-C4'-P energy: -85.487 tors. eta vs tors. theta energy: -23.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -839.317782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.317782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.317782 (E_RNA) where: Base-Base interactions energy: -335.466 where: short stacking energy: -305.778 Base-Backbone interact. energy: -1.880 local terms energy: -501.970989 where: bonds (distance) C4'-P energy: -151.999 bonds (distance) P-C4' energy: -168.109 flat angles C4'-P-C4' energy: -119.475 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: 11.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -778.510294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.510294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.510294 (E_RNA) where: Base-Base interactions energy: -284.554 where: short stacking energy: -229.260 Base-Backbone interact. energy: 0.674 local terms energy: -494.630433 where: bonds (distance) C4'-P energy: -144.869 bonds (distance) P-C4' energy: -159.971 flat angles C4'-P-C4' energy: -132.940 flat angles P-C4'-P energy: -67.697 tors. eta vs tors. theta energy: 10.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2559.446858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.446858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.446858 (E_RNA) where: Base-Base interactions energy: -1573.805 where: short stacking energy: -940.611 Base-Backbone interact. energy: -4.039 local terms energy: -981.603305 where: bonds (distance) C4'-P energy: -190.423 bonds (distance) P-C4' energy: -191.024 flat angles C4'-P-C4' energy: -203.694 flat angles P-C4'-P energy: -148.499 tors. eta vs tors. theta energy: -247.963 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: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2361.204879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.204879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.204879 (E_RNA) where: Base-Base interactions energy: -1423.194 where: short stacking energy: -854.739 Base-Backbone interact. energy: -5.043 local terms energy: -932.967681 where: bonds (distance) C4'-P energy: -173.124 bonds (distance) P-C4' energy: -190.086 flat angles C4'-P-C4' energy: -198.842 flat angles P-C4'-P energy: -153.844 tors. eta vs tors. theta energy: -217.071 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: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2090.722113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.722113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.722113 (E_RNA) where: Base-Base interactions energy: -1236.166 where: short stacking energy: -776.112 Base-Backbone interact. energy: -1.093 local terms energy: -853.463122 where: bonds (distance) C4'-P energy: -169.332 bonds (distance) P-C4' energy: -187.543 flat angles C4'-P-C4' energy: -194.194 flat angles P-C4'-P energy: -120.324 tors. eta vs tors. theta energy: -182.070 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: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2039.308969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.308969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.308969 (E_RNA) where: Base-Base interactions energy: -1229.308 where: short stacking energy: -769.089 Base-Backbone interact. energy: 2.146 local terms energy: -812.147566 where: bonds (distance) C4'-P energy: -159.937 bonds (distance) P-C4' energy: -190.885 flat angles C4'-P-C4' energy: -169.806 flat angles P-C4'-P energy: -123.489 tors. eta vs tors. theta energy: -168.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1737.675491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.675491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.675491 (E_RNA) where: Base-Base interactions energy: -1038.463 where: short stacking energy: -634.024 Base-Backbone interact. energy: -0.411 local terms energy: -698.801653 where: bonds (distance) C4'-P energy: -154.677 bonds (distance) P-C4' energy: -164.008 flat angles C4'-P-C4' energy: -191.835 flat angles P-C4'-P energy: -71.657 tors. eta vs tors. theta energy: -116.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1472.958177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.958177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.958177 (E_RNA) where: Base-Base interactions energy: -798.715 where: short stacking energy: -554.940 Base-Backbone interact. energy: 5.917 local terms energy: -680.160239 where: bonds (distance) C4'-P energy: -170.727 bonds (distance) P-C4' energy: -166.095 flat angles C4'-P-C4' energy: -165.159 flat angles P-C4'-P energy: -90.837 tors. eta vs tors. theta energy: -87.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1105.599740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.599740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.599740 (E_RNA) where: Base-Base interactions energy: -530.221 where: short stacking energy: -402.589 Base-Backbone interact. energy: 4.703 local terms energy: -580.081635 where: bonds (distance) C4'-P energy: -146.376 bonds (distance) P-C4' energy: -166.439 flat angles C4'-P-C4' energy: -149.151 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -25.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1003.081364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.081364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.081364 (E_RNA) where: Base-Base interactions energy: -457.899 where: short stacking energy: -347.982 Base-Backbone interact. energy: 2.100 local terms energy: -547.282248 where: bonds (distance) C4'-P energy: -135.953 bonds (distance) P-C4' energy: -157.267 flat angles C4'-P-C4' energy: -160.833 flat angles P-C4'-P energy: -88.067 tors. eta vs tors. theta energy: -5.162 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: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -848.579484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.579484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.579484 (E_RNA) where: Base-Base interactions energy: -339.676 where: short stacking energy: -313.041 Base-Backbone interact. energy: -0.363 local terms energy: -508.540708 where: bonds (distance) C4'-P energy: -147.478 bonds (distance) P-C4' energy: -141.863 flat angles C4'-P-C4' energy: -110.684 flat angles P-C4'-P energy: -91.642 tors. eta vs tors. theta energy: -16.872 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: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -763.908017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.908017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.908017 (E_RNA) where: Base-Base interactions energy: -311.073 where: short stacking energy: -263.331 Base-Backbone interact. energy: 0.015 local terms energy: -452.849844 where: bonds (distance) C4'-P energy: -126.906 bonds (distance) P-C4' energy: -154.610 flat angles C4'-P-C4' energy: -138.283 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: 30.892 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: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2533.938149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.938149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.938149 (E_RNA) where: Base-Base interactions energy: -1602.414 where: short stacking energy: -936.785 Base-Backbone interact. energy: -5.462 local terms energy: -926.062405 where: bonds (distance) C4'-P energy: -169.455 bonds (distance) P-C4' energy: -183.593 flat angles C4'-P-C4' energy: -204.602 flat angles P-C4'-P energy: -127.801 tors. eta vs tors. theta energy: -240.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2383.089291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.089291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.089291 (E_RNA) where: Base-Base interactions energy: -1489.524 where: short stacking energy: -877.689 Base-Backbone interact. energy: -1.730 local terms energy: -891.835645 where: bonds (distance) C4'-P energy: -172.900 bonds (distance) P-C4' energy: -177.015 flat angles C4'-P-C4' energy: -189.205 flat angles P-C4'-P energy: -125.001 tors. eta vs tors. theta energy: -227.714 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: 297 Temperature: 1.000000 Total energy: -2053.376684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.376684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.376684 (E_RNA) where: Base-Base interactions energy: -1205.452 where: short stacking energy: -767.089 Base-Backbone interact. energy: 3.019 local terms energy: -850.943919 where: bonds (distance) C4'-P energy: -171.915 bonds (distance) P-C4' energy: -181.503 flat angles C4'-P-C4' energy: -186.541 flat angles P-C4'-P energy: -133.164 tors. eta vs tors. theta energy: -177.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1956.686622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.686622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.686622 (E_RNA) where: Base-Base interactions energy: -1197.797 where: short stacking energy: -749.097 Base-Backbone interact. energy: 1.193 local terms energy: -760.082731 where: bonds (distance) C4'-P energy: -156.528 bonds (distance) P-C4' energy: -167.384 flat angles C4'-P-C4' energy: -169.249 flat angles P-C4'-P energy: -93.217 tors. eta vs tors. theta energy: -173.705 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: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1683.661377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.661377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.661377 (E_RNA) where: Base-Base interactions energy: -970.682 where: short stacking energy: -626.705 Base-Backbone interact. energy: 0.449 local terms energy: -713.428198 where: bonds (distance) C4'-P energy: -156.987 bonds (distance) P-C4' energy: -162.854 flat angles C4'-P-C4' energy: -173.530 flat angles P-C4'-P energy: -107.195 tors. eta vs tors. theta energy: -112.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1437.742658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.742658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.742658 (E_RNA) where: Base-Base interactions energy: -773.533 where: short stacking energy: -537.396 Base-Backbone interact. energy: 4.112 local terms energy: -668.321558 where: bonds (distance) C4'-P energy: -159.912 bonds (distance) P-C4' energy: -162.707 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -99.778 tors. eta vs tors. theta energy: -90.061 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1098.006950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.006950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.006950 (E_RNA) where: Base-Base interactions energy: -506.691 where: short stacking energy: -395.364 Base-Backbone interact. energy: 0.863 local terms energy: -592.178790 where: bonds (distance) C4'-P energy: -152.633 bonds (distance) P-C4' energy: -152.592 flat angles C4'-P-C4' energy: -144.062 flat angles P-C4'-P energy: -104.314 tors. eta vs tors. theta energy: -38.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -920.738150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.738150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.738150 (E_RNA) where: Base-Base interactions energy: -384.734 where: short stacking energy: -334.876 Base-Backbone interact. energy: 3.411 local terms energy: -539.414836 where: bonds (distance) C4'-P energy: -161.543 bonds (distance) P-C4' energy: -151.984 flat angles C4'-P-C4' energy: -150.898 flat angles P-C4'-P energy: -73.633 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -810.756510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.756510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.756510 (E_RNA) where: Base-Base interactions energy: -332.159 where: short stacking energy: -313.734 Base-Backbone interact. energy: 4.915 local terms energy: -483.512426 where: bonds (distance) C4'-P energy: -131.903 bonds (distance) P-C4' energy: -136.584 flat angles C4'-P-C4' energy: -146.379 flat angles P-C4'-P energy: -92.472 tors. eta vs tors. theta energy: 23.826 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: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -831.451310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.451310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.451310 (E_RNA) where: Base-Base interactions energy: -352.038 where: short stacking energy: -298.087 Base-Backbone interact. energy: -1.788 local terms energy: -477.625417 where: bonds (distance) C4'-P energy: -123.102 bonds (distance) P-C4' energy: -147.778 flat angles C4'-P-C4' energy: -137.893 flat angles P-C4'-P energy: -74.450 tors. eta vs tors. theta energy: 5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2529.212876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.212876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.212876 (E_RNA) where: Base-Base interactions energy: -1560.487 where: short stacking energy: -956.127 Base-Backbone interact. energy: -5.048 local terms energy: -963.677575 where: bonds (distance) C4'-P energy: -188.983 bonds (distance) P-C4' energy: -190.763 flat angles C4'-P-C4' energy: -202.398 flat angles P-C4'-P energy: -135.023 tors. eta vs tors. theta energy: -246.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2361.782259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.782259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.782259 (E_RNA) where: Base-Base interactions energy: -1446.139 where: short stacking energy: -870.729 Base-Backbone interact. energy: -2.662 local terms energy: -912.981497 where: bonds (distance) C4'-P energy: -169.726 bonds (distance) P-C4' energy: -189.039 flat angles C4'-P-C4' energy: -200.028 flat angles P-C4'-P energy: -134.261 tors. eta vs tors. theta energy: -219.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2093.285422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.285422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.285422 (E_RNA) where: Base-Base interactions energy: -1231.089 where: short stacking energy: -781.599 Base-Backbone interact. energy: -4.105 local terms energy: -858.091309 where: bonds (distance) C4'-P energy: -181.848 bonds (distance) P-C4' energy: -171.986 flat angles C4'-P-C4' energy: -186.985 flat angles P-C4'-P energy: -112.749 tors. eta vs tors. theta energy: -204.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1954.819188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.819188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.819188 (E_RNA) where: Base-Base interactions energy: -1182.143 where: short stacking energy: -728.757 Base-Backbone interact. energy: 1.600 local terms energy: -774.276041 where: bonds (distance) C4'-P energy: -154.289 bonds (distance) P-C4' energy: -179.428 flat angles C4'-P-C4' energy: -172.964 flat angles P-C4'-P energy: -110.972 tors. eta vs tors. theta energy: -156.623 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: 298 Temperature: 1.100000 Total energy: -1791.020995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.020995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.020995 (E_RNA) where: Base-Base interactions energy: -1065.787 where: short stacking energy: -648.215 Base-Backbone interact. energy: -2.293 local terms energy: -722.940690 where: bonds (distance) C4'-P energy: -170.929 bonds (distance) P-C4' energy: -152.200 flat angles C4'-P-C4' energy: -162.967 flat angles P-C4'-P energy: -123.711 tors. eta vs tors. theta energy: -113.133 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: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1406.505111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.505111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.505111 (E_RNA) where: Base-Base interactions energy: -730.490 where: short stacking energy: -533.648 Base-Backbone interact. energy: -3.466 local terms energy: -672.548631 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -167.926 flat angles C4'-P-C4' energy: -150.621 flat angles P-C4'-P energy: -96.620 tors. eta vs tors. theta energy: -108.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1142.388854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.388854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.388854 (E_RNA) where: Base-Base interactions energy: -552.759 where: short stacking energy: -400.068 Base-Backbone interact. energy: 0.892 local terms energy: -590.521460 where: bonds (distance) C4'-P energy: -116.863 bonds (distance) P-C4' energy: -182.395 flat angles C4'-P-C4' energy: -133.643 flat angles P-C4'-P energy: -90.705 tors. eta vs tors. theta energy: -66.915 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: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -963.296490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.296490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.296490 (E_RNA) where: Base-Base interactions energy: -411.435 where: short stacking energy: -360.543 Base-Backbone interact. energy: -0.830 local terms energy: -551.031631 where: bonds (distance) C4'-P energy: -151.488 bonds (distance) P-C4' energy: -155.823 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -71.177 tors. eta vs tors. theta energy: -28.013 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: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -833.985365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.985365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.985365 (E_RNA) where: Base-Base interactions energy: -347.564 where: short stacking energy: -294.126 Base-Backbone interact. energy: -2.011 local terms energy: -484.409615 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -152.236 flat angles C4'-P-C4' energy: -128.230 flat angles P-C4'-P energy: -73.321 tors. eta vs tors. theta energy: 11.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -721.738604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.738604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.738604 (E_RNA) where: Base-Base interactions energy: -298.886 where: short stacking energy: -267.833 Base-Backbone interact. energy: -1.428 local terms energy: -421.424152 where: bonds (distance) C4'-P energy: -123.205 bonds (distance) P-C4' energy: -157.128 flat angles C4'-P-C4' energy: -108.216 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: 33.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2531.568190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.568190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.568190 (E_RNA) where: Base-Base interactions energy: -1621.490 where: short stacking energy: -936.778 Base-Backbone interact. energy: -3.644 local terms energy: -906.434888 where: bonds (distance) C4'-P energy: -177.250 bonds (distance) P-C4' energy: -175.789 flat angles C4'-P-C4' energy: -191.752 flat angles P-C4'-P energy: -117.050 tors. eta vs tors. theta energy: -244.594 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: 299 Temperature: 0.950000 Total energy: -2343.200339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.200339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.200339 (E_RNA) where: Base-Base interactions energy: -1456.387 where: short stacking energy: -895.974 Base-Backbone interact. energy: -1.040 local terms energy: -885.773284 where: bonds (distance) C4'-P energy: -155.457 bonds (distance) P-C4' energy: -185.795 flat angles C4'-P-C4' energy: -198.351 flat angles P-C4'-P energy: -125.658 tors. eta vs tors. theta energy: -220.513 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: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2076.110674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.110674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.110674 (E_RNA) where: Base-Base interactions energy: -1255.237 where: short stacking energy: -796.988 Base-Backbone interact. energy: -1.089 local terms energy: -819.784312 where: bonds (distance) C4'-P energy: -152.757 bonds (distance) P-C4' energy: -176.947 flat angles C4'-P-C4' energy: -170.029 flat angles P-C4'-P energy: -129.630 tors. eta vs tors. theta energy: -190.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1936.660071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.660071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.660071 (E_RNA) where: Base-Base interactions energy: -1093.433 where: short stacking energy: -720.997 Base-Backbone interact. energy: -4.197 local terms energy: -839.029351 where: bonds (distance) C4'-P energy: -190.755 bonds (distance) P-C4' energy: -196.393 flat angles C4'-P-C4' energy: -183.120 flat angles P-C4'-P energy: -117.899 tors. eta vs tors. theta energy: -150.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1884.462162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.462162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.462162 (E_RNA) where: Base-Base interactions energy: -1090.540 where: short stacking energy: -707.999 Base-Backbone interact. energy: -1.420 local terms energy: -792.502100 where: bonds (distance) C4'-P energy: -157.000 bonds (distance) P-C4' energy: -175.372 flat angles C4'-P-C4' energy: -177.086 flat angles P-C4'-P energy: -127.011 tors. eta vs tors. theta energy: -156.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1429.708128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.708128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.708128 (E_RNA) where: Base-Base interactions energy: -772.322 where: short stacking energy: -522.398 Base-Backbone interact. energy: -5.488 local terms energy: -651.898299 where: bonds (distance) C4'-P energy: -162.396 bonds (distance) P-C4' energy: -167.551 flat angles C4'-P-C4' energy: -168.437 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -72.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1074.534683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.534683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.534683 (E_RNA) where: Base-Base interactions energy: -535.244 where: short stacking energy: -421.297 Base-Backbone interact. energy: 2.333 local terms energy: -541.623470 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -155.703 flat angles C4'-P-C4' energy: -139.848 flat angles P-C4'-P energy: -84.267 tors. eta vs tors. theta energy: -25.807 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: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -939.052680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.052680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.052680 (E_RNA) where: Base-Base interactions energy: -411.818 where: short stacking energy: -326.767 Base-Backbone interact. energy: 6.384 local terms energy: -533.617765 where: bonds (distance) C4'-P energy: -140.083 bonds (distance) P-C4' energy: -163.571 flat angles C4'-P-C4' energy: -135.756 flat angles P-C4'-P energy: -80.995 tors. eta vs tors. theta energy: -13.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -833.553420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.553420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.553420 (E_RNA) where: Base-Base interactions energy: -352.575 where: short stacking energy: -309.849 Base-Backbone interact. energy: 11.992 local terms energy: -492.970537 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -169.534 flat angles C4'-P-C4' energy: -127.903 flat angles P-C4'-P energy: -62.048 tors. eta vs tors. theta energy: 19.147 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: 299 Temperature: 1.350000 Total energy: -767.234365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.234365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.234365 (E_RNA) where: Base-Base interactions energy: -324.240 where: short stacking energy: -271.590 Base-Backbone interact. energy: 0.617 local terms energy: -443.611270 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -126.804 flat angles C4'-P-C4' energy: -123.935 flat angles P-C4'-P energy: -74.922 tors. eta vs tors. theta energy: 10.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2536.953767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.953767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.953767 (E_RNA) where: Base-Base interactions energy: -1570.994 where: short stacking energy: -935.176 Base-Backbone interact. energy: -4.391 local terms energy: -961.568649 where: bonds (distance) C4'-P energy: -174.319 bonds (distance) P-C4' energy: -193.414 flat angles C4'-P-C4' energy: -211.043 flat angles P-C4'-P energy: -140.100 tors. eta vs tors. theta energy: -242.692 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: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2383.515546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.515546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.515546 (E_RNA) where: Base-Base interactions energy: -1496.267 where: short stacking energy: -887.408 Base-Backbone interact. energy: 1.385 local terms energy: -888.633062 where: bonds (distance) C4'-P energy: -167.332 bonds (distance) P-C4' energy: -184.843 flat angles C4'-P-C4' energy: -201.875 flat angles P-C4'-P energy: -123.025 tors. eta vs tors. theta energy: -211.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2075.326505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.326505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.326505 (E_RNA) where: Base-Base interactions energy: -1223.726 where: short stacking energy: -757.817 Base-Backbone interact. energy: -1.813 local terms energy: -849.788308 where: bonds (distance) C4'-P energy: -176.158 bonds (distance) P-C4' energy: -183.604 flat angles C4'-P-C4' energy: -181.460 flat angles P-C4'-P energy: -124.364 tors. eta vs tors. theta energy: -184.202 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: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1923.751227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.751227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.751227 (E_RNA) where: Base-Base interactions energy: -1149.022 where: short stacking energy: -705.396 Base-Backbone interact. energy: 1.949 local terms energy: -776.678101 where: bonds (distance) C4'-P energy: -169.732 bonds (distance) P-C4' energy: -173.165 flat angles C4'-P-C4' energy: -169.714 flat angles P-C4'-P energy: -109.431 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: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1763.231657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.231657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.231657 (E_RNA) where: Base-Base interactions energy: -1010.789 where: short stacking energy: -618.034 Base-Backbone interact. energy: 6.299 local terms energy: -758.741089 where: bonds (distance) C4'-P energy: -169.004 bonds (distance) P-C4' energy: -167.745 flat angles C4'-P-C4' energy: -179.513 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -133.980 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: 6, replica: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1397.838124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.838124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.838124 (E_RNA) where: Base-Base interactions energy: -697.643 where: short stacking energy: -457.630 Base-Backbone interact. energy: -4.322 local terms energy: -695.873369 where: bonds (distance) C4'-P energy: -188.009 bonds (distance) P-C4' energy: -175.597 flat angles C4'-P-C4' energy: -165.775 flat angles P-C4'-P energy: -90.411 tors. eta vs tors. theta energy: -76.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1105.738886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.738886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.738886 (E_RNA) where: Base-Base interactions energy: -533.221 where: short stacking energy: -439.403 Base-Backbone interact. energy: -2.563 local terms energy: -569.954790 where: bonds (distance) C4'-P energy: -149.444 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -147.186 flat angles P-C4'-P energy: -86.166 tors. eta vs tors. theta energy: -42.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1003.466241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.466241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.466241 (E_RNA) where: Base-Base interactions energy: -450.243 where: short stacking energy: -360.372 Base-Backbone interact. energy: -0.296 local terms energy: -552.927101 where: bonds (distance) C4'-P energy: -145.245 bonds (distance) P-C4' energy: -172.089 flat angles C4'-P-C4' energy: -151.528 flat angles P-C4'-P energy: -75.460 tors. eta vs tors. theta energy: -8.604 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: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -859.726226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.726226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.726226 (E_RNA) where: Base-Base interactions energy: -364.849 where: short stacking energy: -345.559 Base-Backbone interact. energy: 4.774 local terms energy: -499.651065 where: bonds (distance) C4'-P energy: -118.249 bonds (distance) P-C4' energy: -147.637 flat angles C4'-P-C4' energy: -122.791 flat angles P-C4'-P energy: -86.016 tors. eta vs tors. theta energy: -24.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -783.093837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.093837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.093837 (E_RNA) where: Base-Base interactions energy: -326.436 where: short stacking energy: -264.612 Base-Backbone interact. energy: 8.493 local terms energy: -465.151319 where: bonds (distance) C4'-P energy: -122.767 bonds (distance) P-C4' energy: -135.267 flat angles C4'-P-C4' energy: -142.486 flat angles P-C4'-P energy: -65.073 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2497.189766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.189766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.189766 (E_RNA) where: Base-Base interactions energy: -1561.422 where: short stacking energy: -961.569 Base-Backbone interact. energy: -1.048 local terms energy: -934.720268 where: bonds (distance) C4'-P energy: -171.164 bonds (distance) P-C4' energy: -187.563 flat angles C4'-P-C4' energy: -193.961 flat angles P-C4'-P energy: -136.338 tors. eta vs tors. theta energy: -245.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2384.326023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.326023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.326023 (E_RNA) where: Base-Base interactions energy: -1500.518 where: short stacking energy: -900.048 Base-Backbone interact. energy: -0.753 local terms energy: -883.055378 where: bonds (distance) C4'-P energy: -164.842 bonds (distance) P-C4' energy: -179.787 flat angles C4'-P-C4' energy: -182.858 flat angles P-C4'-P energy: -134.465 tors. eta vs tors. theta energy: -221.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2033.759351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.759351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.759351 (E_RNA) where: Base-Base interactions energy: -1231.984 where: short stacking energy: -798.029 Base-Backbone interact. energy: -0.057 local terms energy: -801.717593 where: bonds (distance) C4'-P energy: -173.194 bonds (distance) P-C4' energy: -171.614 flat angles C4'-P-C4' energy: -175.062 flat angles P-C4'-P energy: -107.706 tors. eta vs tors. theta energy: -174.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1974.002951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.002951 (E_RNA) where: Base-Base interactions energy: -1159.360 where: short stacking energy: -724.430 Base-Backbone interact. energy: -1.652 local terms energy: -812.990802 where: bonds (distance) C4'-P energy: -159.557 bonds (distance) P-C4' energy: -164.511 flat angles C4'-P-C4' energy: -204.558 flat angles P-C4'-P energy: -118.249 tors. eta vs tors. theta energy: -166.115 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: 301 Temperature: 1.100000 Total energy: -1792.700789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.700789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.700789 (E_RNA) where: Base-Base interactions energy: -1044.316 where: short stacking energy: -647.132 Base-Backbone interact. energy: -0.757 local terms energy: -747.628325 where: bonds (distance) C4'-P energy: -149.614 bonds (distance) P-C4' energy: -174.231 flat angles C4'-P-C4' energy: -170.140 flat angles P-C4'-P energy: -114.348 tors. eta vs tors. theta energy: -139.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1487.522832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.522832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.522832 (E_RNA) where: Base-Base interactions energy: -838.755 where: short stacking energy: -583.200 Base-Backbone interact. energy: 2.312 local terms energy: -651.079794 where: bonds (distance) C4'-P energy: -158.992 bonds (distance) P-C4' energy: -155.965 flat angles C4'-P-C4' energy: -160.020 flat angles P-C4'-P energy: -96.993 tors. eta vs tors. theta energy: -79.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1025.521916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.521916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.521916 (E_RNA) where: Base-Base interactions energy: -485.273 where: short stacking energy: -403.281 Base-Backbone interact. energy: 0.591 local terms energy: -540.839844 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -163.330 flat angles C4'-P-C4' energy: -153.916 flat angles P-C4'-P energy: -61.623 tors. eta vs tors. theta energy: -18.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -917.865184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.865184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.865184 (E_RNA) where: Base-Base interactions energy: -390.817 where: short stacking energy: -353.780 Base-Backbone interact. energy: 3.369 local terms energy: -530.417156 where: bonds (distance) C4'-P energy: -138.341 bonds (distance) P-C4' energy: -149.634 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -84.445 tors. eta vs tors. theta energy: -7.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -845.318713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.318713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.318713 (E_RNA) where: Base-Base interactions energy: -388.694 where: short stacking energy: -306.061 Base-Backbone interact. energy: 2.127 local terms energy: -458.751468 where: bonds (distance) C4'-P energy: -124.072 bonds (distance) P-C4' energy: -146.009 flat angles C4'-P-C4' energy: -107.933 flat angles P-C4'-P energy: -84.887 tors. eta vs tors. theta energy: 4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -760.441111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.441111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.441111 (E_RNA) where: Base-Base interactions energy: -311.142 where: short stacking energy: -276.043 Base-Backbone interact. energy: 0.769 local terms energy: -450.067492 where: bonds (distance) C4'-P energy: -145.174 bonds (distance) P-C4' energy: -140.008 flat angles C4'-P-C4' energy: -119.481 flat angles P-C4'-P energy: -67.883 tors. eta vs tors. theta energy: 22.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2465.676655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.676655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.676655 (E_RNA) where: Base-Base interactions energy: -1521.451 where: short stacking energy: -922.615 Base-Backbone interact. energy: -1.158 local terms energy: -943.067347 where: bonds (distance) C4'-P energy: -180.561 bonds (distance) P-C4' energy: -202.162 flat angles C4'-P-C4' energy: -200.861 flat angles P-C4'-P energy: -128.133 tors. eta vs tors. theta energy: -231.351 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: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2444.954342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.954342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.954342 (E_RNA) where: Base-Base interactions energy: -1505.540 where: short stacking energy: -910.649 Base-Backbone interact. energy: -2.049 local terms energy: -937.365782 where: bonds (distance) C4'-P energy: -178.015 bonds (distance) P-C4' energy: -192.677 flat angles C4'-P-C4' energy: -194.929 flat angles P-C4'-P energy: -122.701 tors. eta vs tors. theta energy: -249.044 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: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2073.946873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.946873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.946873 (E_RNA) where: Base-Base interactions energy: -1234.005 where: short stacking energy: -791.393 Base-Backbone interact. energy: -2.380 local terms energy: -837.562351 where: bonds (distance) C4'-P energy: -176.720 bonds (distance) P-C4' energy: -175.735 flat angles C4'-P-C4' energy: -192.387 flat angles P-C4'-P energy: -125.211 tors. eta vs tors. theta energy: -167.509 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: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1936.915752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.915752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.915752 (E_RNA) where: Base-Base interactions energy: -1173.578 where: short stacking energy: -723.489 Base-Backbone interact. energy: -2.356 local terms energy: -760.981207 where: bonds (distance) C4'-P energy: -164.805 bonds (distance) P-C4' energy: -165.033 flat angles C4'-P-C4' energy: -163.648 flat angles P-C4'-P energy: -117.224 tors. eta vs tors. theta energy: -150.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1607.568184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.568184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.568184 (E_RNA) where: Base-Base interactions energy: -897.340 where: short stacking energy: -557.274 Base-Backbone interact. energy: 7.148 local terms energy: -717.376367 where: bonds (distance) C4'-P energy: -161.398 bonds (distance) P-C4' energy: -168.843 flat angles C4'-P-C4' energy: -183.022 flat angles P-C4'-P energy: -111.020 tors. eta vs tors. theta energy: -93.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1461.662684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.662684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.662684 (E_RNA) where: Base-Base interactions energy: -807.535 where: short stacking energy: -497.645 Base-Backbone interact. energy: 0.135 local terms energy: -654.262395 where: bonds (distance) C4'-P energy: -148.028 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -172.128 flat angles P-C4'-P energy: -98.233 tors. eta vs tors. theta energy: -78.246 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: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -998.559364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.559364 (E_RNA) where: Base-Base interactions energy: -419.509 where: short stacking energy: -353.467 Base-Backbone interact. energy: 1.923 local terms energy: -580.973967 where: bonds (distance) C4'-P energy: -157.025 bonds (distance) P-C4' energy: -173.875 flat angles C4'-P-C4' energy: -148.424 flat angles P-C4'-P energy: -86.800 tors. eta vs tors. theta energy: -14.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -982.420565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.420565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.420565 (E_RNA) where: Base-Base interactions energy: -433.857 where: short stacking energy: -363.071 Base-Backbone interact. energy: -3.035 local terms energy: -545.529349 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -154.124 flat angles C4'-P-C4' energy: -143.900 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -29.734 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: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -792.790903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.790903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.790903 (E_RNA) where: Base-Base interactions energy: -330.780 where: short stacking energy: -271.156 Base-Backbone interact. energy: 4.648 local terms energy: -466.658594 where: bonds (distance) C4'-P energy: -141.580 bonds (distance) P-C4' energy: -155.913 flat angles C4'-P-C4' energy: -96.502 flat angles P-C4'-P energy: -101.510 tors. eta vs tors. theta energy: 28.847 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: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -746.580190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.580190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.580190 (E_RNA) where: Base-Base interactions energy: -295.008 where: short stacking energy: -268.467 Base-Backbone interact. energy: 3.816 local terms energy: -455.387901 where: bonds (distance) C4'-P energy: -146.736 bonds (distance) P-C4' energy: -111.807 flat angles C4'-P-C4' energy: -121.773 flat angles P-C4'-P energy: -78.243 tors. eta vs tors. theta energy: 3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2460.242966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.242966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.242966 (E_RNA) where: Base-Base interactions energy: -1532.180 where: short stacking energy: -948.717 Base-Backbone interact. energy: -3.177 local terms energy: -924.885999 where: bonds (distance) C4'-P energy: -177.554 bonds (distance) P-C4' energy: -185.846 flat angles C4'-P-C4' energy: -201.510 flat angles P-C4'-P energy: -123.567 tors. eta vs tors. theta energy: -236.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2397.947870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.947870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.947870 (E_RNA) where: Base-Base interactions energy: -1483.258 where: short stacking energy: -898.778 Base-Backbone interact. energy: -1.331 local terms energy: -913.358358 where: bonds (distance) C4'-P energy: -171.864 bonds (distance) P-C4' energy: -180.225 flat angles C4'-P-C4' energy: -199.157 flat angles P-C4'-P energy: -137.684 tors. eta vs tors. theta energy: -224.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2069.233395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.233395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.233395 (E_RNA) where: Base-Base interactions energy: -1248.685 where: short stacking energy: -816.042 Base-Backbone interact. energy: 4.255 local terms energy: -824.803923 where: bonds (distance) C4'-P energy: -148.624 bonds (distance) P-C4' energy: -179.039 flat angles C4'-P-C4' energy: -185.254 flat angles P-C4'-P energy: -127.542 tors. eta vs tors. theta energy: -184.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1937.287411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.287411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.287411 (E_RNA) where: Base-Base interactions energy: -1148.867 where: short stacking energy: -724.580 Base-Backbone interact. energy: -2.964 local terms energy: -785.456558 where: bonds (distance) C4'-P energy: -168.469 bonds (distance) P-C4' energy: -177.344 flat angles C4'-P-C4' energy: -181.778 flat angles P-C4'-P energy: -111.644 tors. eta vs tors. theta energy: -146.222 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1662.554878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.554878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.554878 (E_RNA) where: Base-Base interactions energy: -982.780 where: short stacking energy: -603.945 Base-Backbone interact. energy: -3.810 local terms energy: -675.965272 where: bonds (distance) C4'-P energy: -144.431 bonds (distance) P-C4' energy: -173.551 flat angles C4'-P-C4' energy: -149.778 flat angles P-C4'-P energy: -116.231 tors. eta vs tors. theta energy: -91.974 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: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1494.048072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.048072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.048072 (E_RNA) where: Base-Base interactions energy: -821.753 where: short stacking energy: -504.709 Base-Backbone interact. energy: -4.964 local terms energy: -667.330843 where: bonds (distance) C4'-P energy: -147.965 bonds (distance) P-C4' energy: -180.265 flat angles C4'-P-C4' energy: -164.961 flat angles P-C4'-P energy: -97.852 tors. eta vs tors. theta energy: -76.288 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: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -983.506058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.506058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.506058 (E_RNA) where: Base-Base interactions energy: -433.908 where: short stacking energy: -355.273 Base-Backbone interact. energy: 4.783 local terms energy: -554.381163 where: bonds (distance) C4'-P energy: -153.993 bonds (distance) P-C4' energy: -142.626 flat angles C4'-P-C4' energy: -155.887 flat angles P-C4'-P energy: -84.383 tors. eta vs tors. theta energy: -17.492 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: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -976.884518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.884518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.884518 (E_RNA) where: Base-Base interactions energy: -414.617 where: short stacking energy: -362.850 Base-Backbone interact. energy: 3.156 local terms energy: -565.422992 where: bonds (distance) C4'-P energy: -148.309 bonds (distance) P-C4' energy: -166.927 flat angles C4'-P-C4' energy: -148.869 flat angles P-C4'-P energy: -87.939 tors. eta vs tors. theta energy: -13.380 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: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -886.530247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.530247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.530247 (E_RNA) where: Base-Base interactions energy: -407.280 where: short stacking energy: -347.487 Base-Backbone interact. energy: -1.251 local terms energy: -477.999395 where: bonds (distance) C4'-P energy: -127.473 bonds (distance) P-C4' energy: -130.465 flat angles C4'-P-C4' energy: -138.575 flat angles P-C4'-P energy: -67.869 tors. eta vs tors. theta energy: -13.617 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: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -781.377007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.377007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.377007 (E_RNA) where: Base-Base interactions energy: -295.429 where: short stacking energy: -251.829 Base-Backbone interact. energy: -1.210 local terms energy: -484.737779 where: bonds (distance) C4'-P energy: -123.945 bonds (distance) P-C4' energy: -152.341 flat angles C4'-P-C4' energy: -122.483 flat angles P-C4'-P energy: -87.656 tors. eta vs tors. theta energy: 1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2514.304075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.304075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.304075 (E_RNA) where: Base-Base interactions energy: -1567.305 where: short stacking energy: -947.048 Base-Backbone interact. energy: -0.407 local terms energy: -946.591536 where: bonds (distance) C4'-P energy: -169.332 bonds (distance) P-C4' energy: -186.513 flat angles C4'-P-C4' energy: -213.653 flat angles P-C4'-P energy: -133.171 tors. eta vs tors. theta energy: -243.922 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: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2369.396129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.396129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.396129 (E_RNA) where: Base-Base interactions energy: -1456.573 where: short stacking energy: -880.263 Base-Backbone interact. energy: -3.079 local terms energy: -909.744152 where: bonds (distance) C4'-P energy: -172.499 bonds (distance) P-C4' energy: -187.379 flat angles C4'-P-C4' energy: -187.448 flat angles P-C4'-P energy: -137.833 tors. eta vs tors. theta energy: -224.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2077.298506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.298506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.298506 (E_RNA) where: Base-Base interactions energy: -1265.406 where: short stacking energy: -820.796 Base-Backbone interact. energy: -1.425 local terms energy: -810.467793 where: bonds (distance) C4'-P energy: -157.234 bonds (distance) P-C4' energy: -158.861 flat angles C4'-P-C4' energy: -200.664 flat angles P-C4'-P energy: -113.526 tors. eta vs tors. theta energy: -180.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1864.430281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.430281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.430281 (E_RNA) where: Base-Base interactions energy: -1131.136 where: short stacking energy: -668.031 Base-Backbone interact. energy: 3.747 local terms energy: -737.041738 where: bonds (distance) C4'-P energy: -166.484 bonds (distance) P-C4' energy: -164.006 flat angles C4'-P-C4' energy: -170.708 flat angles P-C4'-P energy: -109.983 tors. eta vs tors. theta energy: -125.860 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: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1696.150668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.150668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.150668 (E_RNA) where: Base-Base interactions energy: -1003.015 where: short stacking energy: -610.784 Base-Backbone interact. energy: -4.746 local terms energy: -688.389712 where: bonds (distance) C4'-P energy: -152.108 bonds (distance) P-C4' energy: -171.121 flat angles C4'-P-C4' energy: -178.101 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -105.047 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: 6, replica: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1417.962509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.962509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.962509 (E_RNA) where: Base-Base interactions energy: -754.206 where: short stacking energy: -506.674 Base-Backbone interact. energy: 0.371 local terms energy: -664.126990 where: bonds (distance) C4'-P energy: -168.352 bonds (distance) P-C4' energy: -174.408 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -91.898 tors. eta vs tors. theta energy: -85.929 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: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -957.584597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.584597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.584597 (E_RNA) where: Base-Base interactions energy: -407.235 where: short stacking energy: -359.951 Base-Backbone interact. energy: 2.716 local terms energy: -553.065586 where: bonds (distance) C4'-P energy: -142.412 bonds (distance) P-C4' energy: -164.147 flat angles C4'-P-C4' energy: -143.380 flat angles P-C4'-P energy: -94.097 tors. eta vs tors. theta energy: -9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -955.634595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.634595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.634595 (E_RNA) where: Base-Base interactions energy: -414.124 where: short stacking energy: -363.213 Base-Backbone interact. energy: 0.230 local terms energy: -541.740117 where: bonds (distance) C4'-P energy: -160.007 bonds (distance) P-C4' energy: -161.668 flat angles C4'-P-C4' energy: -153.624 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -10.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -905.312544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.312544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.312544 (E_RNA) where: Base-Base interactions energy: -392.683 where: short stacking energy: -327.172 Base-Backbone interact. energy: 2.530 local terms energy: -515.159627 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -169.206 flat angles C4'-P-C4' energy: -118.318 flat angles P-C4'-P energy: -73.603 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -762.246771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.246771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.246771 (E_RNA) where: Base-Base interactions energy: -277.909 where: short stacking energy: -231.917 Base-Backbone interact. energy: 3.952 local terms energy: -488.290008 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -168.738 flat angles C4'-P-C4' energy: -134.266 flat angles P-C4'-P energy: -71.549 tors. eta vs tors. theta energy: 24.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2502.356301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.356301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.356301 (E_RNA) where: Base-Base interactions energy: -1546.255 where: short stacking energy: -933.607 Base-Backbone interact. energy: -4.050 local terms energy: -952.051221 where: bonds (distance) C4'-P energy: -179.897 bonds (distance) P-C4' energy: -191.670 flat angles C4'-P-C4' energy: -200.107 flat angles P-C4'-P energy: -147.974 tors. eta vs tors. theta energy: -232.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2393.700376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.700376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.700376 (E_RNA) where: Base-Base interactions energy: -1499.474 where: short stacking energy: -904.103 Base-Backbone interact. energy: -4.808 local terms energy: -889.418357 where: bonds (distance) C4'-P energy: -165.769 bonds (distance) P-C4' energy: -180.621 flat angles C4'-P-C4' energy: -187.606 flat angles P-C4'-P energy: -130.733 tors. eta vs tors. theta energy: -224.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2068.628307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.628307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.628307 (E_RNA) where: Base-Base interactions energy: -1228.110 where: short stacking energy: -786.279 Base-Backbone interact. energy: -1.802 local terms energy: -838.715857 where: bonds (distance) C4'-P energy: -161.608 bonds (distance) P-C4' energy: -171.367 flat angles C4'-P-C4' energy: -202.859 flat angles P-C4'-P energy: -127.376 tors. eta vs tors. theta energy: -175.506 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: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1897.232959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.232959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.232959 (E_RNA) where: Base-Base interactions energy: -1129.425 where: short stacking energy: -705.125 Base-Backbone interact. energy: 2.737 local terms energy: -770.545166 where: bonds (distance) C4'-P energy: -164.619 bonds (distance) P-C4' energy: -174.402 flat angles C4'-P-C4' energy: -171.581 flat angles P-C4'-P energy: -110.624 tors. eta vs tors. theta energy: -149.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1691.562915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.562915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.562915 (E_RNA) where: Base-Base interactions energy: -997.956 where: short stacking energy: -608.352 Base-Backbone interact. energy: -4.959 local terms energy: -688.648187 where: bonds (distance) C4'-P energy: -147.712 bonds (distance) P-C4' energy: -169.026 flat angles C4'-P-C4' energy: -156.864 flat angles P-C4'-P energy: -97.347 tors. eta vs tors. theta energy: -117.698 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: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1410.970504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.970504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.970504 (E_RNA) where: Base-Base interactions energy: -734.859 where: short stacking energy: -494.266 Base-Backbone interact. energy: -0.038 local terms energy: -676.073884 where: bonds (distance) C4'-P energy: -172.946 bonds (distance) P-C4' energy: -164.954 flat angles C4'-P-C4' energy: -169.534 flat angles P-C4'-P energy: -88.740 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: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1019.912140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.912140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.912140 (E_RNA) where: Base-Base interactions energy: -435.039 where: short stacking energy: -400.603 Base-Backbone interact. energy: 6.768 local terms energy: -591.641559 where: bonds (distance) C4'-P energy: -143.708 bonds (distance) P-C4' energy: -168.042 flat angles C4'-P-C4' energy: -148.700 flat angles P-C4'-P energy: -90.274 tors. eta vs tors. theta energy: -40.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -935.866919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.866919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.866919 (E_RNA) where: Base-Base interactions energy: -393.627 where: short stacking energy: -307.479 Base-Backbone interact. energy: 2.565 local terms energy: -544.804491 where: bonds (distance) C4'-P energy: -169.821 bonds (distance) P-C4' energy: -155.668 flat angles C4'-P-C4' energy: -124.321 flat angles P-C4'-P energy: -98.698 tors. eta vs tors. theta energy: 3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -887.610476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.610476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.610476 (E_RNA) where: Base-Base interactions energy: -396.269 where: short stacking energy: -323.598 Base-Backbone interact. energy: 2.407 local terms energy: -493.748676 where: bonds (distance) C4'-P energy: -139.458 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -133.479 flat angles P-C4'-P energy: -65.844 tors. eta vs tors. theta energy: -9.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -776.528076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.528076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.528076 (E_RNA) where: Base-Base interactions energy: -286.573 where: short stacking energy: -233.913 Base-Backbone interact. energy: 7.775 local terms energy: -497.730463 where: bonds (distance) C4'-P energy: -126.743 bonds (distance) P-C4' energy: -178.542 flat angles C4'-P-C4' energy: -121.571 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: 22.626 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: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2517.788770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.788770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.788770 (E_RNA) where: Base-Base interactions energy: -1560.669 where: short stacking energy: -951.404 Base-Backbone interact. energy: -1.329 local terms energy: -955.791146 where: bonds (distance) C4'-P energy: -187.702 bonds (distance) P-C4' energy: -186.545 flat angles C4'-P-C4' energy: -199.523 flat angles P-C4'-P energy: -147.231 tors. eta vs tors. theta energy: -234.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2420.892089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.892089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.892089 (E_RNA) where: Base-Base interactions energy: -1534.911 where: short stacking energy: -877.819 Base-Backbone interact. energy: -2.577 local terms energy: -883.404100 where: bonds (distance) C4'-P energy: -148.444 bonds (distance) P-C4' energy: -164.655 flat angles C4'-P-C4' energy: -199.271 flat angles P-C4'-P energy: -147.015 tors. eta vs tors. theta energy: -224.019 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: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2135.715520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.715520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.715520 (E_RNA) where: Base-Base interactions energy: -1254.553 where: short stacking energy: -828.919 Base-Backbone interact. energy: 0.342 local terms energy: -881.504360 where: bonds (distance) C4'-P energy: -179.964 bonds (distance) P-C4' energy: -194.689 flat angles C4'-P-C4' energy: -183.346 flat angles P-C4'-P energy: -127.561 tors. eta vs tors. theta energy: -195.945 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: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1988.220985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.220985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.220985 (E_RNA) where: Base-Base interactions energy: -1213.342 where: short stacking energy: -753.887 Base-Backbone interact. energy: -2.347 local terms energy: -772.532152 where: bonds (distance) C4'-P energy: -160.098 bonds (distance) P-C4' energy: -167.171 flat angles C4'-P-C4' energy: -175.698 flat angles P-C4'-P energy: -104.588 tors. eta vs tors. theta energy: -164.977 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: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1655.313401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.313401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.313401 (E_RNA) where: Base-Base interactions energy: -947.643 where: short stacking energy: -572.840 Base-Backbone interact. energy: 1.869 local terms energy: -709.539060 where: bonds (distance) C4'-P energy: -160.290 bonds (distance) P-C4' energy: -168.669 flat angles C4'-P-C4' energy: -171.536 flat angles P-C4'-P energy: -108.577 tors. eta vs tors. theta energy: -100.467 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: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1371.757614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.757614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.757614 (E_RNA) where: Base-Base interactions energy: -718.490 where: short stacking energy: -519.294 Base-Backbone interact. energy: 4.147 local terms energy: -657.414832 where: bonds (distance) C4'-P energy: -165.552 bonds (distance) P-C4' energy: -152.586 flat angles C4'-P-C4' energy: -165.373 flat angles P-C4'-P energy: -96.983 tors. eta vs tors. theta energy: -76.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1027.551325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.551325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.551325 (E_RNA) where: Base-Base interactions energy: -475.959 where: short stacking energy: -411.747 Base-Backbone interact. energy: -0.514 local terms energy: -551.078276 where: bonds (distance) C4'-P energy: -142.185 bonds (distance) P-C4' energy: -149.882 flat angles C4'-P-C4' energy: -143.671 flat angles P-C4'-P energy: -78.235 tors. eta vs tors. theta energy: -37.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1002.812122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.812122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.812122 (E_RNA) where: Base-Base interactions energy: -446.376 where: short stacking energy: -367.284 Base-Backbone interact. energy: 5.164 local terms energy: -561.600290 where: bonds (distance) C4'-P energy: -138.469 bonds (distance) P-C4' energy: -158.910 flat angles C4'-P-C4' energy: -141.795 flat angles P-C4'-P energy: -99.688 tors. eta vs tors. theta energy: -22.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -857.950696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.950696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.950696 (E_RNA) where: Base-Base interactions energy: -375.687 where: short stacking energy: -328.585 Base-Backbone interact. energy: -1.312 local terms energy: -480.951451 where: bonds (distance) C4'-P energy: -107.902 bonds (distance) P-C4' energy: -143.950 flat angles C4'-P-C4' energy: -132.084 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: -22.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -756.357613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.357613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.357613 (E_RNA) where: Base-Base interactions energy: -283.648 where: short stacking energy: -259.001 Base-Backbone interact. energy: -0.894 local terms energy: -471.815352 where: bonds (distance) C4'-P energy: -157.958 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -107.643 flat angles P-C4'-P energy: -88.787 tors. eta vs tors. theta energy: 9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2571.078633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.078633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.078633 (E_RNA) where: Base-Base interactions energy: -1624.147 where: short stacking energy: -971.279 Base-Backbone interact. energy: -3.236 local terms energy: -943.694976 where: bonds (distance) C4'-P energy: -176.774 bonds (distance) P-C4' energy: -184.750 flat angles C4'-P-C4' energy: -213.341 flat angles P-C4'-P energy: -121.774 tors. eta vs tors. theta energy: -247.056 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: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2437.607217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.607217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.607217 (E_RNA) where: Base-Base interactions energy: -1517.308 where: short stacking energy: -920.377 Base-Backbone interact. energy: -5.320 local terms energy: -914.978490 where: bonds (distance) C4'-P energy: -174.591 bonds (distance) P-C4' energy: -163.427 flat angles C4'-P-C4' energy: -205.243 flat angles P-C4'-P energy: -131.683 tors. eta vs tors. theta energy: -240.035 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: 307 Temperature: 1.000000 Total energy: -2101.938251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.938251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.938251 (E_RNA) where: Base-Base interactions energy: -1268.936 where: short stacking energy: -807.570 Base-Backbone interact. energy: -3.751 local terms energy: -829.251534 where: bonds (distance) C4'-P energy: -164.103 bonds (distance) P-C4' energy: -180.470 flat angles C4'-P-C4' energy: -168.284 flat angles P-C4'-P energy: -124.657 tors. eta vs tors. theta energy: -191.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1959.980857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.980857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.980857 (E_RNA) where: Base-Base interactions energy: -1151.525 where: short stacking energy: -709.321 Base-Backbone interact. energy: -3.220 local terms energy: -805.235741 where: bonds (distance) C4'-P energy: -159.759 bonds (distance) P-C4' energy: -188.650 flat angles C4'-P-C4' energy: -185.856 flat angles P-C4'-P energy: -121.974 tors. eta vs tors. theta energy: -148.997 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: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1690.183124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.183124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.183124 (E_RNA) where: Base-Base interactions energy: -977.356 where: short stacking energy: -631.922 Base-Backbone interact. energy: -2.740 local terms energy: -710.087192 where: bonds (distance) C4'-P energy: -162.630 bonds (distance) P-C4' energy: -154.192 flat angles C4'-P-C4' energy: -186.379 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -111.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1293.183233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.183233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.183233 (E_RNA) where: Base-Base interactions energy: -668.240 where: short stacking energy: -489.880 Base-Backbone interact. energy: -1.951 local terms energy: -622.992578 where: bonds (distance) C4'-P energy: -163.816 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -168.973 flat angles P-C4'-P energy: -81.447 tors. eta vs tors. theta energy: -70.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1028.274742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.274742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.274742 (E_RNA) where: Base-Base interactions energy: -433.316 where: short stacking energy: -380.108 Base-Backbone interact. energy: -0.117 local terms energy: -594.840863 where: bonds (distance) C4'-P energy: -167.059 bonds (distance) P-C4' energy: -167.088 flat angles C4'-P-C4' energy: -154.478 flat angles P-C4'-P energy: -80.135 tors. eta vs tors. theta energy: -26.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -936.971662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.971662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.971662 (E_RNA) where: Base-Base interactions energy: -392.852 where: short stacking energy: -357.078 Base-Backbone interact. energy: -3.269 local terms energy: -540.850449 where: bonds (distance) C4'-P energy: -159.123 bonds (distance) P-C4' energy: -169.978 flat angles C4'-P-C4' energy: -118.412 flat angles P-C4'-P energy: -83.158 tors. eta vs tors. theta energy: -10.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -882.125380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.125380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.125380 (E_RNA) where: Base-Base interactions energy: -367.661 where: short stacking energy: -318.732 Base-Backbone interact. energy: -2.470 local terms energy: -511.994363 where: bonds (distance) C4'-P energy: -149.495 bonds (distance) P-C4' energy: -146.185 flat angles C4'-P-C4' energy: -141.140 flat angles P-C4'-P energy: -77.764 tors. eta vs tors. theta energy: 2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -756.553343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.553343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.553343 (E_RNA) where: Base-Base interactions energy: -305.662 where: short stacking energy: -264.023 Base-Backbone interact. energy: 10.602 local terms energy: -461.493561 where: bonds (distance) C4'-P energy: -138.794 bonds (distance) P-C4' energy: -157.166 flat angles C4'-P-C4' energy: -114.780 flat angles P-C4'-P energy: -80.106 tors. eta vs tors. theta energy: 29.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2535.861425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.861425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.861425 (E_RNA) where: Base-Base interactions energy: -1567.038 where: short stacking energy: -962.986 Base-Backbone interact. energy: -3.189 local terms energy: -965.634573 where: bonds (distance) C4'-P energy: -184.099 bonds (distance) P-C4' energy: -181.652 flat angles C4'-P-C4' energy: -215.066 flat angles P-C4'-P energy: -137.976 tors. eta vs tors. theta energy: -246.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2379.744613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.744613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.744613 (E_RNA) where: Base-Base interactions energy: -1487.150 where: short stacking energy: -882.591 Base-Backbone interact. energy: -4.080 local terms energy: -888.514477 where: bonds (distance) C4'-P energy: -153.556 bonds (distance) P-C4' energy: -180.154 flat angles C4'-P-C4' energy: -199.850 flat angles P-C4'-P energy: -125.446 tors. eta vs tors. theta energy: -229.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2071.311954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.311954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.311954 (E_RNA) where: Base-Base interactions energy: -1224.891 where: short stacking energy: -734.764 Base-Backbone interact. energy: -6.306 local terms energy: -840.114896 where: bonds (distance) C4'-P energy: -174.317 bonds (distance) P-C4' energy: -176.887 flat angles C4'-P-C4' energy: -201.479 flat angles P-C4'-P energy: -116.141 tors. eta vs tors. theta energy: -171.291 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: 308 Temperature: 1.050000 Total energy: -1979.496550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.496550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.496550 (E_RNA) where: Base-Base interactions energy: -1193.585 where: short stacking energy: -727.942 Base-Backbone interact. energy: -4.401 local terms energy: -781.509775 where: bonds (distance) C4'-P energy: -165.217 bonds (distance) P-C4' energy: -150.839 flat angles C4'-P-C4' energy: -192.786 flat angles P-C4'-P energy: -114.871 tors. eta vs tors. theta energy: -157.797 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1668.065293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.065293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.065293 (E_RNA) where: Base-Base interactions energy: -944.603 where: short stacking energy: -610.315 Base-Backbone interact. energy: -1.452 local terms energy: -722.010270 where: bonds (distance) C4'-P energy: -161.458 bonds (distance) P-C4' energy: -166.790 flat angles C4'-P-C4' energy: -153.665 flat angles P-C4'-P energy: -124.982 tors. eta vs tors. theta energy: -115.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1299.192148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.192148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.192148 (E_RNA) where: Base-Base interactions energy: -648.839 where: short stacking energy: -500.585 Base-Backbone interact. energy: -1.112 local terms energy: -649.241132 where: bonds (distance) C4'-P energy: -147.599 bonds (distance) P-C4' energy: -175.681 flat angles C4'-P-C4' energy: -145.886 flat angles P-C4'-P energy: -103.044 tors. eta vs tors. theta energy: -77.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1013.196679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.196679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.196679 (E_RNA) where: Base-Base interactions energy: -411.657 where: short stacking energy: -354.223 Base-Backbone interact. energy: 1.003 local terms energy: -602.542856 where: bonds (distance) C4'-P energy: -158.292 bonds (distance) P-C4' energy: -170.755 flat angles C4'-P-C4' energy: -157.585 flat angles P-C4'-P energy: -94.079 tors. eta vs tors. theta energy: -21.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -929.308221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.308221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.308221 (E_RNA) where: Base-Base interactions energy: -406.598 where: short stacking energy: -307.976 Base-Backbone interact. energy: -0.769 local terms energy: -521.941101 where: bonds (distance) C4'-P energy: -139.507 bonds (distance) P-C4' energy: -153.698 flat angles C4'-P-C4' energy: -136.890 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: 2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -888.060713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.060713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.060713 (E_RNA) where: Base-Base interactions energy: -361.062 where: short stacking energy: -320.859 Base-Backbone interact. energy: 3.547 local terms energy: -530.545409 where: bonds (distance) C4'-P energy: -151.449 bonds (distance) P-C4' energy: -153.033 flat angles C4'-P-C4' energy: -126.053 flat angles P-C4'-P energy: -90.297 tors. eta vs tors. theta energy: -9.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -725.204247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.204247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.204247 (E_RNA) where: Base-Base interactions energy: -283.733 where: short stacking energy: -251.517 Base-Backbone interact. energy: 2.223 local terms energy: -443.694553 where: bonds (distance) C4'-P energy: -148.489 bonds (distance) P-C4' energy: -137.923 flat angles C4'-P-C4' energy: -92.584 flat angles P-C4'-P energy: -98.699 tors. eta vs tors. theta energy: 33.999 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: 309 Temperature: 0.900000 Total energy: -2486.193459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.193459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.193459 (E_RNA) where: Base-Base interactions energy: -1524.229 where: short stacking energy: -931.077 Base-Backbone interact. energy: 3.281 local terms energy: -965.244933 where: bonds (distance) C4'-P energy: -197.719 bonds (distance) P-C4' energy: -188.117 flat angles C4'-P-C4' energy: -203.993 flat angles P-C4'-P energy: -134.147 tors. eta vs tors. theta energy: -241.269 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2369.112723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.112723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.112723 (E_RNA) where: Base-Base interactions energy: -1464.913 where: short stacking energy: -867.900 Base-Backbone interact. energy: -4.552 local terms energy: -899.647808 where: bonds (distance) C4'-P energy: -187.958 bonds (distance) P-C4' energy: -175.132 flat angles C4'-P-C4' energy: -192.039 flat angles P-C4'-P energy: -117.793 tors. eta vs tors. theta energy: -226.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2077.365727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.365727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.365727 (E_RNA) where: Base-Base interactions energy: -1259.595 where: short stacking energy: -823.605 Base-Backbone interact. energy: -5.847 local terms energy: -811.924515 where: bonds (distance) C4'-P energy: -158.229 bonds (distance) P-C4' energy: -174.559 flat angles C4'-P-C4' energy: -183.896 flat angles P-C4'-P energy: -105.741 tors. eta vs tors. theta energy: -189.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1963.169228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.169228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.169228 (E_RNA) where: Base-Base interactions energy: -1183.529 where: short stacking energy: -705.316 Base-Backbone interact. energy: -3.735 local terms energy: -775.905696 where: bonds (distance) C4'-P energy: -160.089 bonds (distance) P-C4' energy: -166.294 flat angles C4'-P-C4' energy: -181.431 flat angles P-C4'-P energy: -116.551 tors. eta vs tors. theta energy: -151.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1689.490760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.490760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.490760 (E_RNA) where: Base-Base interactions energy: -994.048 where: short stacking energy: -650.495 Base-Backbone interact. energy: 4.529 local terms energy: -699.972345 where: bonds (distance) C4'-P energy: -154.636 bonds (distance) P-C4' energy: -157.435 flat angles C4'-P-C4' energy: -167.514 flat angles P-C4'-P energy: -99.674 tors. eta vs tors. theta energy: -120.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1292.166651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.166651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.166651 (E_RNA) where: Base-Base interactions energy: -587.585 where: short stacking energy: -466.295 Base-Backbone interact. energy: -0.316 local terms energy: -704.264918 where: bonds (distance) C4'-P energy: -159.862 bonds (distance) P-C4' energy: -177.653 flat angles C4'-P-C4' energy: -174.959 flat angles P-C4'-P energy: -103.609 tors. eta vs tors. theta energy: -88.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1013.308958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.308958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.308958 (E_RNA) where: Base-Base interactions energy: -444.076 where: short stacking energy: -365.265 Base-Backbone interact. energy: -0.390 local terms energy: -568.842832 where: bonds (distance) C4'-P energy: -148.201 bonds (distance) P-C4' energy: -166.416 flat angles C4'-P-C4' energy: -159.333 flat angles P-C4'-P energy: -86.612 tors. eta vs tors. theta energy: -8.280 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: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -884.394629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.394629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.394629 (E_RNA) where: Base-Base interactions energy: -360.008 where: short stacking energy: -342.093 Base-Backbone interact. energy: -0.278 local terms energy: -524.108891 where: bonds (distance) C4'-P energy: -140.423 bonds (distance) P-C4' energy: -152.375 flat angles C4'-P-C4' energy: -135.206 flat angles P-C4'-P energy: -77.002 tors. eta vs tors. theta energy: -19.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -884.050495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.050495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.050495 (E_RNA) where: Base-Base interactions energy: -406.683 where: short stacking energy: -332.929 Base-Backbone interact. energy: -2.976 local terms energy: -474.391285 where: bonds (distance) C4'-P energy: -128.562 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -133.630 flat angles P-C4'-P energy: -75.871 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -770.787114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.787114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.787114 (E_RNA) where: Base-Base interactions energy: -302.313 where: short stacking energy: -265.757 Base-Backbone interact. energy: 5.925 local terms energy: -474.398941 where: bonds (distance) C4'-P energy: -155.784 bonds (distance) P-C4' energy: -149.112 flat angles C4'-P-C4' energy: -121.325 flat angles P-C4'-P energy: -58.294 tors. eta vs tors. theta energy: 10.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2509.407199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.407199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.407199 (E_RNA) where: Base-Base interactions energy: -1572.951 where: short stacking energy: -972.100 Base-Backbone interact. energy: -5.928 local terms energy: -930.527783 where: bonds (distance) C4'-P energy: -170.294 bonds (distance) P-C4' energy: -178.618 flat angles C4'-P-C4' energy: -211.621 flat angles P-C4'-P energy: -122.724 tors. eta vs tors. theta energy: -247.271 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: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2359.122480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.122480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.122480 (E_RNA) where: Base-Base interactions energy: -1465.616 where: short stacking energy: -798.788 Base-Backbone interact. energy: -8.892 local terms energy: -884.614286 where: bonds (distance) C4'-P energy: -160.891 bonds (distance) P-C4' energy: -187.739 flat angles C4'-P-C4' energy: -197.531 flat angles P-C4'-P energy: -126.313 tors. eta vs tors. theta energy: -212.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2080.109210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.109210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.109210 (E_RNA) where: Base-Base interactions energy: -1229.264 where: short stacking energy: -782.473 Base-Backbone interact. energy: 1.502 local terms energy: -852.346936 where: bonds (distance) C4'-P energy: -177.520 bonds (distance) P-C4' energy: -177.223 flat angles C4'-P-C4' energy: -201.881 flat angles P-C4'-P energy: -105.490 tors. eta vs tors. theta energy: -190.233 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: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1905.688637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.688637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.688637 (E_RNA) where: Base-Base interactions energy: -1132.952 where: short stacking energy: -699.900 Base-Backbone interact. energy: -4.892 local terms energy: -767.844442 where: bonds (distance) C4'-P energy: -160.487 bonds (distance) P-C4' energy: -164.307 flat angles C4'-P-C4' energy: -184.647 flat angles P-C4'-P energy: -114.480 tors. eta vs tors. theta energy: -143.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1684.890849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.890849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.890849 (E_RNA) where: Base-Base interactions energy: -971.478 where: short stacking energy: -647.030 Base-Backbone interact. energy: 0.920 local terms energy: -714.332232 where: bonds (distance) C4'-P energy: -158.211 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -176.495 flat angles P-C4'-P energy: -95.530 tors. eta vs tors. theta energy: -136.400 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: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1332.755674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.755674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.755674 (E_RNA) where: Base-Base interactions energy: -690.201 where: short stacking energy: -515.128 Base-Backbone interact. energy: 3.577 local terms energy: -646.132028 where: bonds (distance) C4'-P energy: -139.276 bonds (distance) P-C4' energy: -175.284 flat angles C4'-P-C4' energy: -172.929 flat angles P-C4'-P energy: -95.995 tors. eta vs tors. theta energy: -62.647 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: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1077.274273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.274273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.274273 (E_RNA) where: Base-Base interactions energy: -490.556 where: short stacking energy: -417.906 Base-Backbone interact. energy: -0.818 local terms energy: -585.900208 where: bonds (distance) C4'-P energy: -171.512 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -147.001 flat angles P-C4'-P energy: -84.254 tors. eta vs tors. theta energy: -27.103 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: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -938.288409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.288409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.288409 (E_RNA) where: Base-Base interactions energy: -460.397 where: short stacking energy: -391.641 Base-Backbone interact. energy: 4.367 local terms energy: -482.258229 where: bonds (distance) C4'-P energy: -130.661 bonds (distance) P-C4' energy: -151.161 flat angles C4'-P-C4' energy: -112.576 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -27.663 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: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -903.836281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.836281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.836281 (E_RNA) where: Base-Base interactions energy: -415.764 where: short stacking energy: -301.580 Base-Backbone interact. energy: 2.051 local terms energy: -490.123361 where: bonds (distance) C4'-P energy: -141.704 bonds (distance) P-C4' energy: -151.878 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -77.870 tors. eta vs tors. theta energy: 27.131 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: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -757.275263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.275263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.275263 (E_RNA) where: Base-Base interactions energy: -296.114 where: short stacking energy: -268.180 Base-Backbone interact. energy: -4.156 local terms energy: -457.005011 where: bonds (distance) C4'-P energy: -140.210 bonds (distance) P-C4' energy: -167.690 flat angles C4'-P-C4' energy: -106.092 flat angles P-C4'-P energy: -75.268 tors. eta vs tors. theta energy: 32.255 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: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2466.599941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.599941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.599941 (E_RNA) where: Base-Base interactions energy: -1535.121 where: short stacking energy: -907.937 Base-Backbone interact. energy: -4.810 local terms energy: -926.669807 where: bonds (distance) C4'-P energy: -174.999 bonds (distance) P-C4' energy: -177.105 flat angles C4'-P-C4' energy: -205.122 flat angles P-C4'-P energy: -137.839 tors. eta vs tors. theta energy: -231.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2367.873556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.873556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.873556 (E_RNA) where: Base-Base interactions energy: -1454.333 where: short stacking energy: -836.498 Base-Backbone interact. energy: -2.594 local terms energy: -910.946378 where: bonds (distance) C4'-P energy: -161.772 bonds (distance) P-C4' energy: -182.915 flat angles C4'-P-C4' energy: -196.916 flat angles P-C4'-P energy: -139.821 tors. eta vs tors. theta energy: -229.523 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: 6 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2078.313664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.313664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.313664 (E_RNA) where: Base-Base interactions energy: -1270.366 where: short stacking energy: -781.659 Base-Backbone interact. energy: -2.882 local terms energy: -805.065683 where: bonds (distance) C4'-P energy: -156.777 bonds (distance) P-C4' energy: -165.099 flat angles C4'-P-C4' energy: -192.795 flat angles P-C4'-P energy: -120.566 tors. eta vs tors. theta energy: -169.828 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1910.679054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.679054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.679054 (E_RNA) where: Base-Base interactions energy: -1156.702 where: short stacking energy: -692.430 Base-Backbone interact. energy: -1.690 local terms energy: -752.286817 where: bonds (distance) C4'-P energy: -142.357 bonds (distance) P-C4' energy: -164.636 flat angles C4'-P-C4' energy: -184.525 flat angles P-C4'-P energy: -108.810 tors. eta vs tors. theta energy: -151.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1624.658972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.658972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.658972 (E_RNA) where: Base-Base interactions energy: -954.475 where: short stacking energy: -597.137 Base-Backbone interact. energy: -4.450 local terms energy: -665.733709 where: bonds (distance) C4'-P energy: -166.343 bonds (distance) P-C4' energy: -141.786 flat angles C4'-P-C4' energy: -159.504 flat angles P-C4'-P energy: -115.006 tors. eta vs tors. theta energy: -83.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1199.502376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.502376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.502376 (E_RNA) where: Base-Base interactions energy: -566.508 where: short stacking energy: -450.844 Base-Backbone interact. energy: -1.329 local terms energy: -631.665030 where: bonds (distance) C4'-P energy: -161.006 bonds (distance) P-C4' energy: -141.426 flat angles C4'-P-C4' energy: -164.341 flat angles P-C4'-P energy: -99.971 tors. eta vs tors. theta energy: -64.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1076.201707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.201707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.201707 (E_RNA) where: Base-Base interactions energy: -517.585 where: short stacking energy: -384.349 Base-Backbone interact. energy: -0.230 local terms energy: -558.387004 where: bonds (distance) C4'-P energy: -162.579 bonds (distance) P-C4' energy: -152.585 flat angles C4'-P-C4' energy: -146.168 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: -14.230 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: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -915.678783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.678783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.678783 (E_RNA) where: Base-Base interactions energy: -377.780 where: short stacking energy: -347.726 Base-Backbone interact. energy: -2.004 local terms energy: -535.894811 where: bonds (distance) C4'-P energy: -142.589 bonds (distance) P-C4' energy: -163.265 flat angles C4'-P-C4' energy: -117.972 flat angles P-C4'-P energy: -93.709 tors. eta vs tors. theta energy: -18.359 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: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -879.968918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.968918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.968918 (E_RNA) where: Base-Base interactions energy: -355.201 where: short stacking energy: -319.201 Base-Backbone interact. energy: 0.090 local terms energy: -524.857955 where: bonds (distance) C4'-P energy: -148.730 bonds (distance) P-C4' energy: -142.034 flat angles C4'-P-C4' energy: -129.034 flat angles P-C4'-P energy: -76.726 tors. eta vs tors. theta energy: -28.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -746.270123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.270123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.270123 (E_RNA) where: Base-Base interactions energy: -294.352 where: short stacking energy: -279.393 Base-Backbone interact. energy: -1.211 local terms energy: -450.706656 where: bonds (distance) C4'-P energy: -138.596 bonds (distance) P-C4' energy: -145.037 flat angles C4'-P-C4' energy: -122.293 flat angles P-C4'-P energy: -73.975 tors. eta vs tors. theta energy: 29.194 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: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2540.731869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.731869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.731869 (E_RNA) where: Base-Base interactions energy: -1599.186 where: short stacking energy: -956.655 Base-Backbone interact. energy: -1.013 local terms energy: -940.532458 where: bonds (distance) C4'-P energy: -173.814 bonds (distance) P-C4' energy: -183.776 flat angles C4'-P-C4' energy: -219.098 flat angles P-C4'-P energy: -123.668 tors. eta vs tors. theta energy: -240.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2370.796905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.796905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.796905 (E_RNA) where: Base-Base interactions energy: -1447.279 where: short stacking energy: -842.399 Base-Backbone interact. energy: -7.464 local terms energy: -916.054305 where: bonds (distance) C4'-P energy: -174.775 bonds (distance) P-C4' energy: -195.116 flat angles C4'-P-C4' energy: -199.244 flat angles P-C4'-P energy: -133.240 tors. eta vs tors. theta energy: -213.680 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: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2021.110931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.110931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.110931 (E_RNA) where: Base-Base interactions energy: -1206.698 where: short stacking energy: -743.635 Base-Backbone interact. energy: -5.658 local terms energy: -808.755318 where: bonds (distance) C4'-P energy: -173.780 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -187.821 flat angles P-C4'-P energy: -114.635 tors. eta vs tors. theta energy: -157.691 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: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1893.747307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.747307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.747307 (E_RNA) where: Base-Base interactions energy: -1158.186 where: short stacking energy: -716.777 Base-Backbone interact. energy: -0.882 local terms energy: -734.679396 where: bonds (distance) C4'-P energy: -158.931 bonds (distance) P-C4' energy: -154.265 flat angles C4'-P-C4' energy: -166.747 flat angles P-C4'-P energy: -99.302 tors. eta vs tors. theta energy: -155.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1602.289159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.289159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.289159 (E_RNA) where: Base-Base interactions energy: -913.132 where: short stacking energy: -618.962 Base-Backbone interact. energy: -2.454 local terms energy: -686.703473 where: bonds (distance) C4'-P energy: -172.626 bonds (distance) P-C4' energy: -167.722 flat angles C4'-P-C4' energy: -146.452 flat angles P-C4'-P energy: -91.913 tors. eta vs tors. theta energy: -107.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1228.095940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.095940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.095940 (E_RNA) where: Base-Base interactions energy: -597.537 where: short stacking energy: -467.993 Base-Backbone interact. energy: -1.430 local terms energy: -629.129037 where: bonds (distance) C4'-P energy: -159.895 bonds (distance) P-C4' energy: -161.430 flat angles C4'-P-C4' energy: -154.559 flat angles P-C4'-P energy: -86.005 tors. eta vs tors. theta energy: -67.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1047.881223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.881223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.881223 (E_RNA) where: Base-Base interactions energy: -447.309 where: short stacking energy: -384.572 Base-Backbone interact. energy: -0.297 local terms energy: -600.274343 where: bonds (distance) C4'-P energy: -145.937 bonds (distance) P-C4' energy: -166.285 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -98.350 tors. eta vs tors. theta energy: -41.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -904.431078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.431078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.431078 (E_RNA) where: Base-Base interactions energy: -367.743 where: short stacking energy: -311.657 Base-Backbone interact. energy: 3.626 local terms energy: -540.313573 where: bonds (distance) C4'-P energy: -162.837 bonds (distance) P-C4' energy: -150.568 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -81.547 tors. eta vs tors. theta energy: 6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -868.852940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.852940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.852940 (E_RNA) where: Base-Base interactions energy: -387.266 where: short stacking energy: -320.266 Base-Backbone interact. energy: -0.397 local terms energy: -481.189753 where: bonds (distance) C4'-P energy: -125.932 bonds (distance) P-C4' energy: -144.683 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -68.168 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -767.010885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.010885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.010885 (E_RNA) where: Base-Base interactions energy: -293.184 where: short stacking energy: -264.362 Base-Backbone interact. energy: -3.381 local terms energy: -470.445921 where: bonds (distance) C4'-P energy: -150.334 bonds (distance) P-C4' energy: -154.968 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -60.907 tors. eta vs tors. theta energy: 23.430 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: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2561.207005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.207005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.207005 (E_RNA) where: Base-Base interactions energy: -1608.095 where: short stacking energy: -926.668 Base-Backbone interact. energy: -4.622 local terms energy: -948.490181 where: bonds (distance) C4'-P energy: -183.498 bonds (distance) P-C4' energy: -179.115 flat angles C4'-P-C4' energy: -205.369 flat angles P-C4'-P energy: -139.063 tors. eta vs tors. theta energy: -241.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2365.802741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.802741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.802741 (E_RNA) where: Base-Base interactions energy: -1495.623 where: short stacking energy: -879.728 Base-Backbone interact. energy: -1.427 local terms energy: -868.752558 where: bonds (distance) C4'-P energy: -157.292 bonds (distance) P-C4' energy: -172.734 flat angles C4'-P-C4' energy: -187.564 flat angles P-C4'-P energy: -140.161 tors. eta vs tors. theta energy: -211.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2100.961151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.961151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.961151 (E_RNA) where: Base-Base interactions energy: -1263.049 where: short stacking energy: -784.410 Base-Backbone interact. energy: -0.271 local terms energy: -837.641219 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -171.132 flat angles C4'-P-C4' energy: -206.731 flat angles P-C4'-P energy: -124.076 tors. eta vs tors. theta energy: -181.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1915.843822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.843822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.843822 (E_RNA) where: Base-Base interactions energy: -1131.879 where: short stacking energy: -706.874 Base-Backbone interact. energy: -1.498 local terms energy: -782.466201 where: bonds (distance) C4'-P energy: -160.463 bonds (distance) P-C4' energy: -179.711 flat angles C4'-P-C4' energy: -167.991 flat angles P-C4'-P energy: -113.032 tors. eta vs tors. theta energy: -161.269 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: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1687.538560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.538560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.538560 (E_RNA) where: Base-Base interactions energy: -919.621 where: short stacking energy: -634.731 Base-Backbone interact. energy: -2.755 local terms energy: -765.162654 where: bonds (distance) C4'-P energy: -162.474 bonds (distance) P-C4' energy: -178.068 flat angles C4'-P-C4' energy: -174.827 flat angles P-C4'-P energy: -110.197 tors. eta vs tors. theta energy: -139.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1205.283921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.283921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.283921 (E_RNA) where: Base-Base interactions energy: -581.864 where: short stacking energy: -480.334 Base-Backbone interact. energy: 1.151 local terms energy: -624.571023 where: bonds (distance) C4'-P energy: -153.691 bonds (distance) P-C4' energy: -175.320 flat angles C4'-P-C4' energy: -125.776 flat angles P-C4'-P energy: -114.812 tors. eta vs tors. theta energy: -54.971 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1054.152095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.152095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.152095 (E_RNA) where: Base-Base interactions energy: -472.247 where: short stacking energy: -405.928 Base-Backbone interact. energy: 1.397 local terms energy: -583.302398 where: bonds (distance) C4'-P energy: -154.273 bonds (distance) P-C4' energy: -148.345 flat angles C4'-P-C4' energy: -142.563 flat angles P-C4'-P energy: -90.861 tors. eta vs tors. theta energy: -47.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -939.726431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.726431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.726431 (E_RNA) where: Base-Base interactions energy: -396.175 where: short stacking energy: -346.277 Base-Backbone interact. energy: -3.149 local terms energy: -540.402722 where: bonds (distance) C4'-P energy: -135.710 bonds (distance) P-C4' energy: -168.200 flat angles C4'-P-C4' energy: -139.541 flat angles P-C4'-P energy: -95.021 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -845.309356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.309356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.309356 (E_RNA) where: Base-Base interactions energy: -324.030 where: short stacking energy: -283.761 Base-Backbone interact. energy: 4.048 local terms energy: -525.326412 where: bonds (distance) C4'-P energy: -151.927 bonds (distance) P-C4' energy: -169.906 flat angles C4'-P-C4' energy: -132.902 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: 6.887 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: 10, replica: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -778.745245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.745245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.745245 (E_RNA) where: Base-Base interactions energy: -304.563 where: short stacking energy: -250.801 Base-Backbone interact. energy: 0.376 local terms energy: -474.557628 where: bonds (distance) C4'-P energy: -164.913 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -116.253 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: 28.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2545.141332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.141332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.141332 (E_RNA) where: Base-Base interactions energy: -1608.854 where: short stacking energy: -939.792 Base-Backbone interact. energy: -2.429 local terms energy: -933.858451 where: bonds (distance) C4'-P energy: -173.597 bonds (distance) P-C4' energy: -170.415 flat angles C4'-P-C4' energy: -210.320 flat angles P-C4'-P energy: -134.109 tors. eta vs tors. theta energy: -245.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2392.473447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.473447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.473447 (E_RNA) where: Base-Base interactions energy: -1528.889 where: short stacking energy: -899.772 Base-Backbone interact. energy: -2.135 local terms energy: -861.449719 where: bonds (distance) C4'-P energy: -160.414 bonds (distance) P-C4' energy: -188.101 flat angles C4'-P-C4' energy: -180.115 flat angles P-C4'-P energy: -114.992 tors. eta vs tors. theta energy: -217.827 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: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2080.699276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.699276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.699276 (E_RNA) where: Base-Base interactions energy: -1228.637 where: short stacking energy: -758.474 Base-Backbone interact. energy: -4.539 local terms energy: -847.522852 where: bonds (distance) C4'-P energy: -161.632 bonds (distance) P-C4' energy: -201.594 flat angles C4'-P-C4' energy: -183.907 flat angles P-C4'-P energy: -127.908 tors. eta vs tors. theta energy: -172.482 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: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1911.556947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.556947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.556947 (E_RNA) where: Base-Base interactions energy: -1142.585 where: short stacking energy: -733.088 Base-Backbone interact. energy: -3.832 local terms energy: -765.139663 where: bonds (distance) C4'-P energy: -158.514 bonds (distance) P-C4' energy: -168.124 flat angles C4'-P-C4' energy: -185.428 flat angles P-C4'-P energy: -112.142 tors. eta vs tors. theta energy: -140.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1627.411503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.411503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.411503 (E_RNA) where: Base-Base interactions energy: -897.524 where: short stacking energy: -599.754 Base-Backbone interact. energy: 1.040 local terms energy: -730.928141 where: bonds (distance) C4'-P energy: -151.844 bonds (distance) P-C4' energy: -175.154 flat angles C4'-P-C4' energy: -172.475 flat angles P-C4'-P energy: -123.507 tors. eta vs tors. theta energy: -107.948 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: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1207.764923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.764923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.764923 (E_RNA) where: Base-Base interactions energy: -580.329 where: short stacking energy: -475.653 Base-Backbone interact. energy: 1.737 local terms energy: -629.172619 where: bonds (distance) C4'-P energy: -167.614 bonds (distance) P-C4' energy: -156.746 flat angles C4'-P-C4' energy: -148.409 flat angles P-C4'-P energy: -98.879 tors. eta vs tors. theta energy: -57.524 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: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1111.207097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.207097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.207097 (E_RNA) where: Base-Base interactions energy: -538.445 where: short stacking energy: -464.580 Base-Backbone interact. energy: -0.416 local terms energy: -572.345854 where: bonds (distance) C4'-P energy: -160.234 bonds (distance) P-C4' energy: -148.721 flat angles C4'-P-C4' energy: -138.560 flat angles P-C4'-P energy: -80.523 tors. eta vs tors. theta energy: -44.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -906.835603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.835603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.835603 (E_RNA) where: Base-Base interactions energy: -374.430 where: short stacking energy: -342.333 Base-Backbone interact. energy: 0.547 local terms energy: -532.952380 where: bonds (distance) C4'-P energy: -148.933 bonds (distance) P-C4' energy: -163.411 flat angles C4'-P-C4' energy: -127.278 flat angles P-C4'-P energy: -94.169 tors. eta vs tors. theta energy: 0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -864.808195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.808195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.808195 (E_RNA) where: Base-Base interactions energy: -361.374 where: short stacking energy: -294.020 Base-Backbone interact. energy: 6.375 local terms energy: -509.808634 where: bonds (distance) C4'-P energy: -172.809 bonds (distance) P-C4' energy: -159.263 flat angles C4'-P-C4' energy: -106.639 flat angles P-C4'-P energy: -86.256 tors. eta vs tors. theta energy: 15.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -742.172163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.172163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.172163 (E_RNA) where: Base-Base interactions energy: -285.469 where: short stacking energy: -248.064 Base-Backbone interact. energy: 3.344 local terms energy: -460.047017 where: bonds (distance) C4'-P energy: -146.484 bonds (distance) P-C4' energy: -156.061 flat angles C4'-P-C4' energy: -131.492 flat angles P-C4'-P energy: -66.517 tors. eta vs tors. theta energy: 40.508 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: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2600.025818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.025818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.025818 (E_RNA) where: Base-Base interactions energy: -1636.564 where: short stacking energy: -998.386 Base-Backbone interact. energy: -5.337 local terms energy: -958.124896 where: bonds (distance) C4'-P energy: -184.884 bonds (distance) P-C4' energy: -192.464 flat angles C4'-P-C4' energy: -207.075 flat angles P-C4'-P energy: -121.084 tors. eta vs tors. theta energy: -252.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2385.194219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.194219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.194219 (E_RNA) where: Base-Base interactions energy: -1472.109 where: short stacking energy: -877.537 Base-Backbone interact. energy: -3.338 local terms energy: -909.747122 where: bonds (distance) C4'-P energy: -171.583 bonds (distance) P-C4' energy: -172.433 flat angles C4'-P-C4' energy: -213.042 flat angles P-C4'-P energy: -124.973 tors. eta vs tors. theta energy: -227.716 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: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2058.409818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.409818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.409818 (E_RNA) where: Base-Base interactions energy: -1236.917 where: short stacking energy: -801.581 Base-Backbone interact. energy: -2.489 local terms energy: -819.003485 where: bonds (distance) C4'-P energy: -158.229 bonds (distance) P-C4' energy: -171.640 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -130.924 tors. eta vs tors. theta energy: -177.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1915.211958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.211958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.211958 (E_RNA) where: Base-Base interactions energy: -1149.282 where: short stacking energy: -742.613 Base-Backbone interact. energy: -4.001 local terms energy: -761.928678 where: bonds (distance) C4'-P energy: -160.030 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -185.634 flat angles P-C4'-P energy: -98.126 tors. eta vs tors. theta energy: -156.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1601.752769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.752769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.752769 (E_RNA) where: Base-Base interactions energy: -880.601 where: short stacking energy: -571.972 Base-Backbone interact. energy: 0.809 local terms energy: -721.960652 where: bonds (distance) C4'-P energy: -177.987 bonds (distance) P-C4' energy: -161.012 flat angles C4'-P-C4' energy: -172.325 flat angles P-C4'-P energy: -110.224 tors. eta vs tors. theta energy: -100.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1274.925662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.925662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.925662 (E_RNA) where: Base-Base interactions energy: -645.892 where: short stacking energy: -512.330 Base-Backbone interact. energy: 2.068 local terms energy: -631.101564 where: bonds (distance) C4'-P energy: -154.514 bonds (distance) P-C4' energy: -165.821 flat angles C4'-P-C4' energy: -143.017 flat angles P-C4'-P energy: -97.460 tors. eta vs tors. theta energy: -70.288 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: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1061.674145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.674145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.674145 (E_RNA) where: Base-Base interactions energy: -465.800 where: short stacking energy: -387.462 Base-Backbone interact. energy: 5.607 local terms energy: -601.481777 where: bonds (distance) C4'-P energy: -162.202 bonds (distance) P-C4' energy: -182.046 flat angles C4'-P-C4' energy: -145.493 flat angles P-C4'-P energy: -89.085 tors. eta vs tors. theta energy: -22.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -897.340812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.340812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.340812 (E_RNA) where: Base-Base interactions energy: -352.482 where: short stacking energy: -329.637 Base-Backbone interact. energy: -2.170 local terms energy: -542.689058 where: bonds (distance) C4'-P energy: -147.366 bonds (distance) P-C4' energy: -158.938 flat angles C4'-P-C4' energy: -137.272 flat angles P-C4'-P energy: -91.324 tors. eta vs tors. theta energy: -7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -833.322515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.322515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.322515 (E_RNA) where: Base-Base interactions energy: -354.903 where: short stacking energy: -325.450 Base-Backbone interact. energy: 11.519 local terms energy: -489.938607 where: bonds (distance) C4'-P energy: -155.476 bonds (distance) P-C4' energy: -126.700 flat angles C4'-P-C4' energy: -119.214 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -20.952 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: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -743.865966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.865966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.865966 (E_RNA) where: Base-Base interactions energy: -291.071 where: short stacking energy: -252.056 Base-Backbone interact. energy: -1.972 local terms energy: -450.822484 where: bonds (distance) C4'-P energy: -133.448 bonds (distance) P-C4' energy: -134.565 flat angles C4'-P-C4' energy: -131.831 flat angles P-C4'-P energy: -68.362 tors. eta vs tors. theta energy: 17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2518.329029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.329029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.329029 (E_RNA) where: Base-Base interactions energy: -1565.571 where: short stacking energy: -899.415 Base-Backbone interact. energy: -5.088 local terms energy: -947.669872 where: bonds (distance) C4'-P energy: -169.981 bonds (distance) P-C4' energy: -187.908 flat angles C4'-P-C4' energy: -208.141 flat angles P-C4'-P energy: -145.320 tors. eta vs tors. theta energy: -236.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2388.642849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.642849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.642849 (E_RNA) where: Base-Base interactions energy: -1470.230 where: short stacking energy: -892.539 Base-Backbone interact. energy: -3.766 local terms energy: -914.646767 where: bonds (distance) C4'-P energy: -173.552 bonds (distance) P-C4' energy: -181.008 flat angles C4'-P-C4' energy: -205.706 flat angles P-C4'-P energy: -128.558 tors. eta vs tors. theta energy: -225.822 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: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2108.262040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.262040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.262040 (E_RNA) where: Base-Base interactions energy: -1240.285 where: short stacking energy: -805.374 Base-Backbone interact. energy: -1.351 local terms energy: -866.626263 where: bonds (distance) C4'-P energy: -170.307 bonds (distance) P-C4' energy: -172.623 flat angles C4'-P-C4' energy: -192.796 flat angles P-C4'-P energy: -141.687 tors. eta vs tors. theta energy: -189.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1943.310151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.310151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.310151 (E_RNA) where: Base-Base interactions energy: -1170.553 where: short stacking energy: -718.905 Base-Backbone interact. energy: -2.638 local terms energy: -770.119649 where: bonds (distance) C4'-P energy: -160.571 bonds (distance) P-C4' energy: -160.448 flat angles C4'-P-C4' energy: -176.555 flat angles P-C4'-P energy: -120.080 tors. eta vs tors. theta energy: -152.465 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: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1649.311836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.311836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.311836 (E_RNA) where: Base-Base interactions energy: -927.201 where: short stacking energy: -610.889 Base-Backbone interact. energy: -1.999 local terms energy: -720.111181 where: bonds (distance) C4'-P energy: -161.257 bonds (distance) P-C4' energy: -169.846 flat angles C4'-P-C4' energy: -165.491 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -120.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1300.706812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.706812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.706812 (E_RNA) where: Base-Base interactions energy: -674.256 where: short stacking energy: -490.684 Base-Backbone interact. energy: -3.208 local terms energy: -623.242541 where: bonds (distance) C4'-P energy: -157.854 bonds (distance) P-C4' energy: -153.782 flat angles C4'-P-C4' energy: -162.416 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: -77.579 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: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1064.865828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.865828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.865828 (E_RNA) where: Base-Base interactions energy: -507.707 where: short stacking energy: -436.390 Base-Backbone interact. energy: 0.838 local terms energy: -557.996831 where: bonds (distance) C4'-P energy: -139.277 bonds (distance) P-C4' energy: -145.270 flat angles C4'-P-C4' energy: -156.503 flat angles P-C4'-P energy: -66.917 tors. eta vs tors. theta energy: -50.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -921.613295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.613295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.613295 (E_RNA) where: Base-Base interactions energy: -385.992 where: short stacking energy: -308.593 Base-Backbone interact. energy: 4.964 local terms energy: -540.585336 where: bonds (distance) C4'-P energy: -136.645 bonds (distance) P-C4' energy: -169.560 flat angles C4'-P-C4' energy: -136.265 flat angles P-C4'-P energy: -77.482 tors. eta vs tors. theta energy: -20.633 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: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -808.482576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.482576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.482576 (E_RNA) where: Base-Base interactions energy: -342.989 where: short stacking energy: -285.101 Base-Backbone interact. energy: 5.929 local terms energy: -471.422910 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -142.209 flat angles C4'-P-C4' energy: -139.425 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: 1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -773.166239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.166239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.166239 (E_RNA) where: Base-Base interactions energy: -291.834 where: short stacking energy: -263.012 Base-Backbone interact. energy: -2.307 local terms energy: -479.025690 where: bonds (distance) C4'-P energy: -125.866 bonds (distance) P-C4' energy: -155.578 flat angles C4'-P-C4' energy: -126.296 flat angles P-C4'-P energy: -87.521 tors. eta vs tors. theta energy: 16.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2590.626461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.626461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.626461 (E_RNA) where: Base-Base interactions energy: -1638.181 where: short stacking energy: -957.669 Base-Backbone interact. energy: -3.738 local terms energy: -948.707225 where: bonds (distance) C4'-P energy: -182.079 bonds (distance) P-C4' energy: -195.031 flat angles C4'-P-C4' energy: -203.194 flat angles P-C4'-P energy: -133.336 tors. eta vs tors. theta energy: -235.068 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: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2337.020836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.020836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.020836 (E_RNA) where: Base-Base interactions energy: -1443.412 where: short stacking energy: -875.494 Base-Backbone interact. energy: -3.938 local terms energy: -889.670744 where: bonds (distance) C4'-P energy: -178.463 bonds (distance) P-C4' energy: -169.745 flat angles C4'-P-C4' energy: -213.121 flat angles P-C4'-P energy: -113.613 tors. eta vs tors. theta energy: -214.729 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: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2035.840260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.840260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.840260 (E_RNA) where: Base-Base interactions energy: -1227.002 where: short stacking energy: -792.015 Base-Backbone interact. energy: -2.879 local terms energy: -805.959283 where: bonds (distance) C4'-P energy: -170.128 bonds (distance) P-C4' energy: -167.442 flat angles C4'-P-C4' energy: -174.001 flat angles P-C4'-P energy: -119.113 tors. eta vs tors. theta energy: -175.276 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: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1960.094210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.094210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.094210 (E_RNA) where: Base-Base interactions energy: -1174.740 where: short stacking energy: -760.396 Base-Backbone interact. energy: -1.976 local terms energy: -783.378500 where: bonds (distance) C4'-P energy: -166.353 bonds (distance) P-C4' energy: -167.590 flat angles C4'-P-C4' energy: -184.610 flat angles P-C4'-P energy: -106.567 tors. eta vs tors. theta energy: -158.259 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: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1636.893550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.893550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.893550 (E_RNA) where: Base-Base interactions energy: -918.408 where: short stacking energy: -645.472 Base-Backbone interact. energy: -1.599 local terms energy: -716.886680 where: bonds (distance) C4'-P energy: -171.535 bonds (distance) P-C4' energy: -149.584 flat angles C4'-P-C4' energy: -185.846 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -136.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1323.371334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.371334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.371334 (E_RNA) where: Base-Base interactions energy: -682.850 where: short stacking energy: -476.462 Base-Backbone interact. energy: 0.862 local terms energy: -641.383607 where: bonds (distance) C4'-P energy: -166.149 bonds (distance) P-C4' energy: -165.117 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -87.584 tors. eta vs tors. theta energy: -76.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1034.130950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.130950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.130950 (E_RNA) where: Base-Base interactions energy: -470.258 where: short stacking energy: -384.162 Base-Backbone interact. energy: 2.953 local terms energy: -566.826109 where: bonds (distance) C4'-P energy: -152.313 bonds (distance) P-C4' energy: -154.507 flat angles C4'-P-C4' energy: -123.949 flat angles P-C4'-P energy: -100.947 tors. eta vs tors. theta energy: -35.109 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -870.672092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.672092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.672092 (E_RNA) where: Base-Base interactions energy: -344.973 where: short stacking energy: -311.796 Base-Backbone interact. energy: -0.004 local terms energy: -525.695309 where: bonds (distance) C4'-P energy: -147.608 bonds (distance) P-C4' energy: -170.183 flat angles C4'-P-C4' energy: -134.775 flat angles P-C4'-P energy: -78.875 tors. eta vs tors. theta energy: 5.746 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: 317 Temperature: 1.300000 Total energy: -834.115570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.115570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.115570 (E_RNA) where: Base-Base interactions energy: -310.209 where: short stacking energy: -284.307 Base-Backbone interact. energy: 3.611 local terms energy: -527.517215 where: bonds (distance) C4'-P energy: -148.842 bonds (distance) P-C4' energy: -138.520 flat angles C4'-P-C4' energy: -146.663 flat angles P-C4'-P energy: -103.806 tors. eta vs tors. theta energy: 10.314 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: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -737.753492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.753492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.753492 (E_RNA) where: Base-Base interactions energy: -263.269 where: short stacking energy: -249.570 Base-Backbone interact. energy: 2.610 local terms energy: -477.094449 where: bonds (distance) C4'-P energy: -136.503 bonds (distance) P-C4' energy: -149.384 flat angles C4'-P-C4' energy: -120.651 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: 19.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2538.171078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.171078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.171078 (E_RNA) where: Base-Base interactions energy: -1583.643 where: short stacking energy: -956.513 Base-Backbone interact. energy: -4.177 local terms energy: -950.350767 where: bonds (distance) C4'-P energy: -159.499 bonds (distance) P-C4' energy: -186.399 flat angles C4'-P-C4' energy: -211.749 flat angles P-C4'-P energy: -144.996 tors. eta vs tors. theta energy: -247.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2338.244798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.244798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.244798 (E_RNA) where: Base-Base interactions energy: -1470.050 where: short stacking energy: -878.645 Base-Backbone interact. energy: 0.758 local terms energy: -868.952749 where: bonds (distance) C4'-P energy: -178.349 bonds (distance) P-C4' energy: -169.420 flat angles C4'-P-C4' energy: -179.723 flat angles P-C4'-P energy: -126.196 tors. eta vs tors. theta energy: -215.265 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: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2084.206297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.206297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.206297 (E_RNA) where: Base-Base interactions energy: -1279.586 where: short stacking energy: -783.994 Base-Backbone interact. energy: -0.738 local terms energy: -803.882554 where: bonds (distance) C4'-P energy: -155.210 bonds (distance) P-C4' energy: -163.875 flat angles C4'-P-C4' energy: -190.089 flat angles P-C4'-P energy: -125.472 tors. eta vs tors. theta energy: -169.236 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: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1954.916571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.916571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.916571 (E_RNA) where: Base-Base interactions energy: -1176.318 where: short stacking energy: -774.109 Base-Backbone interact. energy: -3.569 local terms energy: -775.029631 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -180.048 flat angles C4'-P-C4' energy: -180.423 flat angles P-C4'-P energy: -99.441 tors. eta vs tors. theta energy: -169.407 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: 318 Temperature: 1.100000 Total energy: -1658.874248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.874248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.874248 (E_RNA) where: Base-Base interactions energy: -909.975 where: short stacking energy: -635.278 Base-Backbone interact. energy: -3.279 local terms energy: -745.620138 where: bonds (distance) C4'-P energy: -156.361 bonds (distance) P-C4' energy: -172.421 flat angles C4'-P-C4' energy: -165.430 flat angles P-C4'-P energy: -115.134 tors. eta vs tors. theta energy: -136.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1272.119186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.119186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.119186 (E_RNA) where: Base-Base interactions energy: -632.942 where: short stacking energy: -482.505 Base-Backbone interact. energy: -0.514 local terms energy: -638.663548 where: bonds (distance) C4'-P energy: -157.653 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -174.876 flat angles P-C4'-P energy: -94.059 tors. eta vs tors. theta energy: -68.778 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: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1027.330757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.330757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.330757 (E_RNA) where: Base-Base interactions energy: -452.825 where: short stacking energy: -392.784 Base-Backbone interact. energy: 1.150 local terms energy: -575.654963 where: bonds (distance) C4'-P energy: -167.490 bonds (distance) P-C4' energy: -169.767 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -59.350 tors. eta vs tors. theta energy: -23.664 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: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -910.606860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.606860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.606860 (E_RNA) where: Base-Base interactions energy: -389.455 where: short stacking energy: -337.768 Base-Backbone interact. energy: 1.088 local terms energy: -522.240495 where: bonds (distance) C4'-P energy: -126.992 bonds (distance) P-C4' energy: -188.900 flat angles C4'-P-C4' energy: -127.151 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -871.315360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.315360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.315360 (E_RNA) where: Base-Base interactions energy: -352.277 where: short stacking energy: -308.766 Base-Backbone interact. energy: -0.186 local terms energy: -518.852978 where: bonds (distance) C4'-P energy: -136.296 bonds (distance) P-C4' energy: -156.292 flat angles C4'-P-C4' energy: -134.921 flat angles P-C4'-P energy: -77.663 tors. eta vs tors. theta energy: -13.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -774.112630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.112630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.112630 (E_RNA) where: Base-Base interactions energy: -290.768 where: short stacking energy: -258.901 Base-Backbone interact. energy: 0.942 local terms energy: -484.286520 where: bonds (distance) C4'-P energy: -155.816 bonds (distance) P-C4' energy: -140.868 flat angles C4'-P-C4' energy: -117.344 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2586.641183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.641183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.641183 (E_RNA) where: Base-Base interactions energy: -1622.038 where: short stacking energy: -974.743 Base-Backbone interact. energy: -2.676 local terms energy: -961.927053 where: bonds (distance) C4'-P energy: -177.007 bonds (distance) P-C4' energy: -178.282 flat angles C4'-P-C4' energy: -206.574 flat angles P-C4'-P energy: -144.110 tors. eta vs tors. theta energy: -255.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2437.668483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.668483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.668483 (E_RNA) where: Base-Base interactions energy: -1528.220 where: short stacking energy: -926.410 Base-Backbone interact. energy: -1.646 local terms energy: -907.803294 where: bonds (distance) C4'-P energy: -173.132 bonds (distance) P-C4' energy: -188.416 flat angles C4'-P-C4' energy: -196.307 flat angles P-C4'-P energy: -119.431 tors. eta vs tors. theta energy: -230.518 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: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2070.823425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.823425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.823425 (E_RNA) where: Base-Base interactions energy: -1234.362 where: short stacking energy: -761.304 Base-Backbone interact. energy: -3.248 local terms energy: -833.213298 where: bonds (distance) C4'-P energy: -172.448 bonds (distance) P-C4' energy: -182.203 flat angles C4'-P-C4' energy: -194.011 flat angles P-C4'-P energy: -123.036 tors. eta vs tors. theta energy: -161.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1956.792776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.792776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.792776 (E_RNA) where: Base-Base interactions energy: -1135.326 where: short stacking energy: -720.612 Base-Backbone interact. energy: -5.072 local terms energy: -816.394870 where: bonds (distance) C4'-P energy: -172.507 bonds (distance) P-C4' energy: -177.340 flat angles C4'-P-C4' energy: -175.614 flat angles P-C4'-P energy: -119.528 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: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1652.672464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.672464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.672464 (E_RNA) where: Base-Base interactions energy: -930.906 where: short stacking energy: -645.381 Base-Backbone interact. energy: -1.090 local terms energy: -720.676386 where: bonds (distance) C4'-P energy: -153.662 bonds (distance) P-C4' energy: -154.125 flat angles C4'-P-C4' energy: -168.263 flat angles P-C4'-P energy: -115.778 tors. eta vs tors. theta energy: -128.849 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: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1317.347619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.347619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.347619 (E_RNA) where: Base-Base interactions energy: -669.662 where: short stacking energy: -501.493 Base-Backbone interact. energy: 2.791 local terms energy: -650.476888 where: bonds (distance) C4'-P energy: -163.175 bonds (distance) P-C4' energy: -157.043 flat angles C4'-P-C4' energy: -157.201 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -64.525 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1072.912768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.912768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.912768 (E_RNA) where: Base-Base interactions energy: -492.893 where: short stacking energy: -397.288 Base-Backbone interact. energy: 5.417 local terms energy: -585.436011 where: bonds (distance) C4'-P energy: -137.084 bonds (distance) P-C4' energy: -177.450 flat angles C4'-P-C4' energy: -150.564 flat angles P-C4'-P energy: -101.531 tors. eta vs tors. theta energy: -18.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -923.535008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.535008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.535008 (E_RNA) where: Base-Base interactions energy: -364.053 where: short stacking energy: -328.850 Base-Backbone interact. energy: 1.322 local terms energy: -560.804588 where: bonds (distance) C4'-P energy: -157.675 bonds (distance) P-C4' energy: -164.787 flat angles C4'-P-C4' energy: -138.578 flat angles P-C4'-P energy: -86.853 tors. eta vs tors. theta energy: -12.911 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: 319 Temperature: 1.300000 Total energy: -854.947726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.947726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.947726 (E_RNA) where: Base-Base interactions energy: -366.738 where: short stacking energy: -335.487 Base-Backbone interact. energy: 0.736 local terms energy: -488.945510 where: bonds (distance) C4'-P energy: -151.958 bonds (distance) P-C4' energy: -141.904 flat angles C4'-P-C4' energy: -138.522 flat angles P-C4'-P energy: -66.765 tors. eta vs tors. theta energy: 10.203 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: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -738.922106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.922106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.922106 (E_RNA) where: Base-Base interactions energy: -321.362 where: short stacking energy: -267.720 Base-Backbone interact. energy: 5.974 local terms energy: -423.534443 where: bonds (distance) C4'-P energy: -144.185 bonds (distance) P-C4' energy: -136.879 flat angles C4'-P-C4' energy: -106.129 flat angles P-C4'-P energy: -53.512 tors. eta vs tors. theta energy: 17.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2564.693071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.693071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.693071 (E_RNA) where: Base-Base interactions energy: -1619.777 where: short stacking energy: -963.307 Base-Backbone interact. energy: -5.717 local terms energy: -939.198155 where: bonds (distance) C4'-P energy: -174.641 bonds (distance) P-C4' energy: -173.739 flat angles C4'-P-C4' energy: -213.716 flat angles P-C4'-P energy: -136.705 tors. eta vs tors. theta energy: -240.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2470.043800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.043800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.043800 (E_RNA) where: Base-Base interactions energy: -1601.499 where: short stacking energy: -931.137 Base-Backbone interact. energy: 0.911 local terms energy: -869.455586 where: bonds (distance) C4'-P energy: -168.082 bonds (distance) P-C4' energy: -167.969 flat angles C4'-P-C4' energy: -191.504 flat angles P-C4'-P energy: -114.399 tors. eta vs tors. theta energy: -227.501 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: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2088.672435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.672435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.672435 (E_RNA) where: Base-Base interactions energy: -1255.977 where: short stacking energy: -776.811 Base-Backbone interact. energy: -2.551 local terms energy: -830.144590 where: bonds (distance) C4'-P energy: -158.953 bonds (distance) P-C4' energy: -186.296 flat angles C4'-P-C4' energy: -194.932 flat angles P-C4'-P energy: -134.656 tors. eta vs tors. theta energy: -155.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1899.855292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.855292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.855292 (E_RNA) where: Base-Base interactions energy: -1114.176 where: short stacking energy: -744.693 Base-Backbone interact. energy: -2.546 local terms energy: -783.133256 where: bonds (distance) C4'-P energy: -154.381 bonds (distance) P-C4' energy: -166.751 flat angles C4'-P-C4' energy: -178.719 flat angles P-C4'-P energy: -117.372 tors. eta vs tors. theta energy: -165.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1625.099544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.099544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.099544 (E_RNA) where: Base-Base interactions energy: -894.909 where: short stacking energy: -626.050 Base-Backbone interact. energy: -3.170 local terms energy: -727.021056 where: bonds (distance) C4'-P energy: -159.737 bonds (distance) P-C4' energy: -160.946 flat angles C4'-P-C4' energy: -187.407 flat angles P-C4'-P energy: -106.590 tors. eta vs tors. theta energy: -112.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1352.829773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.829773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.829773 (E_RNA) where: Base-Base interactions energy: -723.970 where: short stacking energy: -513.544 Base-Backbone interact. energy: -1.883 local terms energy: -626.976791 where: bonds (distance) C4'-P energy: -150.543 bonds (distance) P-C4' energy: -144.979 flat angles C4'-P-C4' energy: -147.011 flat angles P-C4'-P energy: -105.292 tors. eta vs tors. theta energy: -79.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1101.191522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.191522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.191522 (E_RNA) where: Base-Base interactions energy: -506.862 where: short stacking energy: -424.555 Base-Backbone interact. energy: 1.806 local terms energy: -596.135090 where: bonds (distance) C4'-P energy: -172.466 bonds (distance) P-C4' energy: -152.399 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -81.802 tors. eta vs tors. theta energy: -55.952 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: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -949.119852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.119852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.119852 (E_RNA) where: Base-Base interactions energy: -410.303 where: short stacking energy: -352.729 Base-Backbone interact. energy: 7.911 local terms energy: -546.727922 where: bonds (distance) C4'-P energy: -116.404 bonds (distance) P-C4' energy: -179.992 flat angles C4'-P-C4' energy: -138.332 flat angles P-C4'-P energy: -100.212 tors. eta vs tors. theta energy: -11.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -855.680958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.680958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.680958 (E_RNA) where: Base-Base interactions energy: -358.555 where: short stacking energy: -319.217 Base-Backbone interact. energy: 0.271 local terms energy: -497.396491 where: bonds (distance) C4'-P energy: -144.768 bonds (distance) P-C4' energy: -138.958 flat angles C4'-P-C4' energy: -133.261 flat angles P-C4'-P energy: -84.467 tors. eta vs tors. theta energy: 4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -770.773383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.773383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.773383 (E_RNA) where: Base-Base interactions energy: -303.953 where: short stacking energy: -262.063 Base-Backbone interact. energy: -0.270 local terms energy: -466.550834 where: bonds (distance) C4'-P energy: -101.954 bonds (distance) P-C4' energy: -154.102 flat angles C4'-P-C4' energy: -130.514 flat angles P-C4'-P energy: -69.567 tors. eta vs tors. theta energy: -10.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2596.984095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.984095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.984095 (E_RNA) where: Base-Base interactions energy: -1655.768 where: short stacking energy: -984.829 Base-Backbone interact. energy: -4.312 local terms energy: -936.904391 where: bonds (distance) C4'-P energy: -176.637 bonds (distance) P-C4' energy: -176.776 flat angles C4'-P-C4' energy: -197.265 flat angles P-C4'-P energy: -135.354 tors. eta vs tors. theta energy: -250.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2430.780621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.780621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.780621 (E_RNA) where: Base-Base interactions energy: -1503.887 where: short stacking energy: -900.670 Base-Backbone interact. energy: -3.212 local terms energy: -923.681385 where: bonds (distance) C4'-P energy: -162.410 bonds (distance) P-C4' energy: -176.104 flat angles C4'-P-C4' energy: -211.330 flat angles P-C4'-P energy: -140.973 tors. eta vs tors. theta energy: -232.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2082.387431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.387431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.387431 (E_RNA) where: Base-Base interactions energy: -1303.302 where: short stacking energy: -791.744 Base-Backbone interact. energy: -1.732 local terms energy: -777.353386 where: bonds (distance) C4'-P energy: -158.258 bonds (distance) P-C4' energy: -158.680 flat angles C4'-P-C4' energy: -180.207 flat angles P-C4'-P energy: -119.581 tors. eta vs tors. theta energy: -160.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1934.943975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.943975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.943975 (E_RNA) where: Base-Base interactions energy: -1186.372 where: short stacking energy: -720.243 Base-Backbone interact. energy: 0.569 local terms energy: -749.141380 where: bonds (distance) C4'-P energy: -164.005 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -181.190 flat angles P-C4'-P energy: -85.647 tors. eta vs tors. theta energy: -158.538 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: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1611.980980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.980980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.980980 (E_RNA) where: Base-Base interactions energy: -888.747 where: short stacking energy: -602.335 Base-Backbone interact. energy: 1.370 local terms energy: -724.603640 where: bonds (distance) C4'-P energy: -160.563 bonds (distance) P-C4' energy: -160.628 flat angles C4'-P-C4' energy: -168.997 flat angles P-C4'-P energy: -112.534 tors. eta vs tors. theta energy: -121.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1321.707578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.707578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.707578 (E_RNA) where: Base-Base interactions energy: -692.446 where: short stacking energy: -517.075 Base-Backbone interact. energy: 2.326 local terms energy: -631.587376 where: bonds (distance) C4'-P energy: -145.527 bonds (distance) P-C4' energy: -164.662 flat angles C4'-P-C4' energy: -149.892 flat angles P-C4'-P energy: -105.629 tors. eta vs tors. theta energy: -65.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1095.134746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.134746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.134746 (E_RNA) where: Base-Base interactions energy: -468.604 where: short stacking energy: -380.224 Base-Backbone interact. energy: 7.372 local terms energy: -633.902856 where: bonds (distance) C4'-P energy: -168.471 bonds (distance) P-C4' energy: -169.233 flat angles C4'-P-C4' energy: -151.360 flat angles P-C4'-P energy: -103.981 tors. eta vs tors. theta energy: -40.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -966.980965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.980965 (E_RNA) where: Base-Base interactions energy: -413.643 where: short stacking energy: -351.625 Base-Backbone interact. energy: 2.105 local terms energy: -555.443413 where: bonds (distance) C4'-P energy: -146.342 bonds (distance) P-C4' energy: -163.994 flat angles C4'-P-C4' energy: -150.439 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -6.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -894.211689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.211689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.211689 (E_RNA) where: Base-Base interactions energy: -379.220 where: short stacking energy: -321.273 Base-Backbone interact. energy: -2.126 local terms energy: -512.865943 where: bonds (distance) C4'-P energy: -137.588 bonds (distance) P-C4' energy: -167.646 flat angles C4'-P-C4' energy: -158.277 flat angles P-C4'-P energy: -60.324 tors. eta vs tors. theta energy: 10.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -770.825207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.825207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.825207 (E_RNA) where: Base-Base interactions energy: -289.769 where: short stacking energy: -272.826 Base-Backbone interact. energy: 2.485 local terms energy: -483.540555 where: bonds (distance) C4'-P energy: -150.165 bonds (distance) P-C4' energy: -141.515 flat angles C4'-P-C4' energy: -127.575 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: 4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2606.940751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.940751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.940751 (E_RNA) where: Base-Base interactions energy: -1640.583 where: short stacking energy: -970.232 Base-Backbone interact. energy: -4.127 local terms energy: -962.231194 where: bonds (distance) C4'-P energy: -184.861 bonds (distance) P-C4' energy: -177.276 flat angles C4'-P-C4' energy: -210.503 flat angles P-C4'-P energy: -147.997 tors. eta vs tors. theta energy: -241.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2418.755160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.755160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.755160 (E_RNA) where: Base-Base interactions energy: -1519.335 where: short stacking energy: -883.993 Base-Backbone interact. energy: 3.783 local terms energy: -903.202439 where: bonds (distance) C4'-P energy: -169.980 bonds (distance) P-C4' energy: -185.647 flat angles C4'-P-C4' energy: -203.514 flat angles P-C4'-P energy: -129.670 tors. eta vs tors. theta energy: -214.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2107.495936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.495936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.495936 (E_RNA) where: Base-Base interactions energy: -1276.912 where: short stacking energy: -782.372 Base-Backbone interact. energy: -1.804 local terms energy: -828.779246 where: bonds (distance) C4'-P energy: -172.444 bonds (distance) P-C4' energy: -172.960 flat angles C4'-P-C4' energy: -192.845 flat angles P-C4'-P energy: -110.695 tors. eta vs tors. theta energy: -179.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1960.214719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.214719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.214719 (E_RNA) where: Base-Base interactions energy: -1137.200 where: short stacking energy: -716.727 Base-Backbone interact. energy: -5.476 local terms energy: -817.538815 where: bonds (distance) C4'-P energy: -159.641 bonds (distance) P-C4' energy: -169.482 flat angles C4'-P-C4' energy: -187.116 flat angles P-C4'-P energy: -120.135 tors. eta vs tors. theta energy: -181.164 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: 322 Temperature: 1.100000 Total energy: -1563.911283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.911283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.911283 (E_RNA) where: Base-Base interactions energy: -887.486 where: short stacking energy: -581.055 Base-Backbone interact. energy: -0.558 local terms energy: -675.867449 where: bonds (distance) C4'-P energy: -171.247 bonds (distance) P-C4' energy: -170.552 flat angles C4'-P-C4' energy: -161.018 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -96.068 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1272.666506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.666506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.666506 (E_RNA) where: Base-Base interactions energy: -654.850 where: short stacking energy: -477.521 Base-Backbone interact. energy: 3.671 local terms energy: -621.488341 where: bonds (distance) C4'-P energy: -175.606 bonds (distance) P-C4' energy: -160.768 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -60.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1099.586888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.586888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.586888 (E_RNA) where: Base-Base interactions energy: -544.936 where: short stacking energy: -403.581 Base-Backbone interact. energy: -2.991 local terms energy: -551.660155 where: bonds (distance) C4'-P energy: -153.658 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -162.817 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: -18.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -930.481493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.481493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.481493 (E_RNA) where: Base-Base interactions energy: -401.725 where: short stacking energy: -333.225 Base-Backbone interact. energy: -3.662 local terms energy: -525.094652 where: bonds (distance) C4'-P energy: -171.431 bonds (distance) P-C4' energy: -160.646 flat angles C4'-P-C4' energy: -126.636 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: 7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -878.399448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.399448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.399448 (E_RNA) where: Base-Base interactions energy: -401.289 where: short stacking energy: -328.350 Base-Backbone interact. energy: 3.905 local terms energy: -481.015204 where: bonds (distance) C4'-P energy: -148.127 bonds (distance) P-C4' energy: -160.092 flat angles C4'-P-C4' energy: -122.118 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -751.524128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.524128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.524128 (E_RNA) where: Base-Base interactions energy: -314.855 where: short stacking energy: -235.220 Base-Backbone interact. energy: 7.901 local terms energy: -444.570236 where: bonds (distance) C4'-P energy: -154.367 bonds (distance) P-C4' energy: -124.629 flat angles C4'-P-C4' energy: -126.985 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: 40.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2608.260984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.260984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.260984 (E_RNA) where: Base-Base interactions energy: -1639.129 where: short stacking energy: -972.297 Base-Backbone interact. energy: -4.453 local terms energy: -964.678942 where: bonds (distance) C4'-P energy: -191.175 bonds (distance) P-C4' energy: -182.743 flat angles C4'-P-C4' energy: -210.868 flat angles P-C4'-P energy: -128.377 tors. eta vs tors. theta energy: -251.516 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: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2485.637427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.637427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.637427 (E_RNA) where: Base-Base interactions energy: -1559.467 where: short stacking energy: -875.399 Base-Backbone interact. energy: -1.285 local terms energy: -924.885186 where: bonds (distance) C4'-P energy: -170.123 bonds (distance) P-C4' energy: -182.296 flat angles C4'-P-C4' energy: -197.160 flat angles P-C4'-P energy: -146.972 tors. eta vs tors. theta energy: -228.335 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: 3, replica: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2093.775365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.775365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.775365 (E_RNA) where: Base-Base interactions energy: -1288.508 where: short stacking energy: -783.993 Base-Backbone interact. energy: -3.764 local terms energy: -801.503901 where: bonds (distance) C4'-P energy: -155.059 bonds (distance) P-C4' energy: -158.529 flat angles C4'-P-C4' energy: -183.371 flat angles P-C4'-P energy: -118.585 tors. eta vs tors. theta energy: -185.960 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: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1940.101732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.101732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.101732 (E_RNA) where: Base-Base interactions energy: -1151.367 where: short stacking energy: -715.509 Base-Backbone interact. energy: -0.656 local terms energy: -788.079073 where: bonds (distance) C4'-P energy: -163.207 bonds (distance) P-C4' energy: -166.566 flat angles C4'-P-C4' energy: -175.172 flat angles P-C4'-P energy: -114.952 tors. eta vs tors. theta energy: -168.182 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: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1666.000762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.000762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.000762 (E_RNA) where: Base-Base interactions energy: -938.309 where: short stacking energy: -626.312 Base-Backbone interact. energy: -4.193 local terms energy: -723.498220 where: bonds (distance) C4'-P energy: -153.642 bonds (distance) P-C4' energy: -174.222 flat angles C4'-P-C4' energy: -169.078 flat angles P-C4'-P energy: -114.697 tors. eta vs tors. theta energy: -111.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1304.656205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.656205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.656205 (E_RNA) where: Base-Base interactions energy: -650.626 where: short stacking energy: -493.623 Base-Backbone interact. energy: -3.515 local terms energy: -650.515797 where: bonds (distance) C4'-P energy: -164.637 bonds (distance) P-C4' energy: -165.458 flat angles C4'-P-C4' energy: -167.829 flat angles P-C4'-P energy: -97.239 tors. eta vs tors. theta energy: -55.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1081.547951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.547951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.547951 (E_RNA) where: Base-Base interactions energy: -525.344 where: short stacking energy: -418.745 Base-Backbone interact. energy: 4.111 local terms energy: -560.314565 where: bonds (distance) C4'-P energy: -135.596 bonds (distance) P-C4' energy: -142.288 flat angles C4'-P-C4' energy: -163.233 flat angles P-C4'-P energy: -87.767 tors. eta vs tors. theta energy: -31.431 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: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -926.325239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.325239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.325239 (E_RNA) where: Base-Base interactions energy: -393.793 where: short stacking energy: -336.599 Base-Backbone interact. energy: -1.061 local terms energy: -531.471065 where: bonds (distance) C4'-P energy: -164.327 bonds (distance) P-C4' energy: -159.997 flat angles C4'-P-C4' energy: -120.530 flat angles P-C4'-P energy: -68.696 tors. eta vs tors. theta energy: -17.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -853.561758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.561758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.561758 (E_RNA) where: Base-Base interactions energy: -373.469 where: short stacking energy: -308.812 Base-Backbone interact. energy: -1.648 local terms energy: -478.444490 where: bonds (distance) C4'-P energy: -128.831 bonds (distance) P-C4' energy: -166.064 flat angles C4'-P-C4' energy: -118.894 flat angles P-C4'-P energy: -82.368 tors. eta vs tors. theta energy: 17.712 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: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -772.321824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.321824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.321824 (E_RNA) where: Base-Base interactions energy: -335.763 where: short stacking energy: -287.903 Base-Backbone interact. energy: 4.171 local terms energy: -440.729703 where: bonds (distance) C4'-P energy: -120.784 bonds (distance) P-C4' energy: -150.840 flat angles C4'-P-C4' energy: -117.468 flat angles P-C4'-P energy: -58.249 tors. eta vs tors. theta energy: 6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2553.466770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.466770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.466770 (E_RNA) where: Base-Base interactions energy: -1615.686 where: short stacking energy: -972.572 Base-Backbone interact. energy: -5.616 local terms energy: -932.164815 where: bonds (distance) C4'-P energy: -174.970 bonds (distance) P-C4' energy: -178.821 flat angles C4'-P-C4' energy: -187.869 flat angles P-C4'-P energy: -143.414 tors. eta vs tors. theta energy: -247.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2368.649926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.649926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.649926 (E_RNA) where: Base-Base interactions energy: -1470.089 where: short stacking energy: -835.331 Base-Backbone interact. energy: -3.642 local terms energy: -894.919330 where: bonds (distance) C4'-P energy: -181.812 bonds (distance) P-C4' energy: -176.086 flat angles C4'-P-C4' energy: -197.384 flat angles P-C4'-P energy: -139.725 tors. eta vs tors. theta energy: -199.912 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: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2080.921182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.921182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.921182 (E_RNA) where: Base-Base interactions energy: -1255.981 where: short stacking energy: -800.748 Base-Backbone interact. energy: -3.290 local terms energy: -821.650523 where: bonds (distance) C4'-P energy: -141.595 bonds (distance) P-C4' energy: -187.462 flat angles C4'-P-C4' energy: -189.551 flat angles P-C4'-P energy: -116.623 tors. eta vs tors. theta energy: -186.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1979.186189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.186189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.186189 (E_RNA) where: Base-Base interactions energy: -1187.621 where: short stacking energy: -743.873 Base-Backbone interact. energy: -2.838 local terms energy: -788.726935 where: bonds (distance) C4'-P energy: -169.864 bonds (distance) P-C4' energy: -176.662 flat angles C4'-P-C4' energy: -170.346 flat angles P-C4'-P energy: -93.471 tors. eta vs tors. theta energy: -178.384 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: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1707.963458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.963458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.963458 (E_RNA) where: Base-Base interactions energy: -949.284 where: short stacking energy: -611.683 Base-Backbone interact. energy: 0.329 local terms energy: -759.008098 where: bonds (distance) C4'-P energy: -189.759 bonds (distance) P-C4' energy: -169.177 flat angles C4'-P-C4' energy: -189.698 flat angles P-C4'-P energy: -96.436 tors. eta vs tors. theta energy: -113.939 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: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1256.681901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.681901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.681901 (E_RNA) where: Base-Base interactions energy: -635.123 where: short stacking energy: -460.922 Base-Backbone interact. energy: 2.130 local terms energy: -623.688614 where: bonds (distance) C4'-P energy: -157.630 bonds (distance) P-C4' energy: -164.454 flat angles C4'-P-C4' energy: -151.483 flat angles P-C4'-P energy: -100.669 tors. eta vs tors. theta energy: -49.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1013.030879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.030879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.030879 (E_RNA) where: Base-Base interactions energy: -433.805 where: short stacking energy: -365.123 Base-Backbone interact. energy: -0.734 local terms energy: -578.491089 where: bonds (distance) C4'-P energy: -142.146 bonds (distance) P-C4' energy: -156.954 flat angles C4'-P-C4' energy: -155.472 flat angles P-C4'-P energy: -94.797 tors. eta vs tors. theta energy: -29.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -998.161726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.161726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.161726 (E_RNA) where: Base-Base interactions energy: -446.314 where: short stacking energy: -371.412 Base-Backbone interact. energy: 0.350 local terms energy: -552.197416 where: bonds (distance) C4'-P energy: -149.355 bonds (distance) P-C4' energy: -148.982 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -86.232 tors. eta vs tors. theta energy: -27.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -876.960304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.960304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.960304 (E_RNA) where: Base-Base interactions energy: -373.813 where: short stacking energy: -341.598 Base-Backbone interact. energy: -0.285 local terms energy: -502.861431 where: bonds (distance) C4'-P energy: -131.464 bonds (distance) P-C4' energy: -143.726 flat angles C4'-P-C4' energy: -131.103 flat angles P-C4'-P energy: -81.050 tors. eta vs tors. theta energy: -15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -745.043456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.043456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.043456 (E_RNA) where: Base-Base interactions energy: -281.310 where: short stacking energy: -264.452 Base-Backbone interact. energy: -2.935 local terms energy: -460.798247 where: bonds (distance) C4'-P energy: -127.069 bonds (distance) P-C4' energy: -167.408 flat angles C4'-P-C4' energy: -136.515 flat angles P-C4'-P energy: -62.243 tors. eta vs tors. theta energy: 32.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2545.472526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.472526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.472526 (E_RNA) where: Base-Base interactions energy: -1613.708 where: short stacking energy: -988.043 Base-Backbone interact. energy: -4.392 local terms energy: -927.373004 where: bonds (distance) C4'-P energy: -165.961 bonds (distance) P-C4' energy: -180.264 flat angles C4'-P-C4' energy: -202.133 flat angles P-C4'-P energy: -135.624 tors. eta vs tors. theta energy: -243.391 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2398.276985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.276985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.276985 (E_RNA) where: Base-Base interactions energy: -1491.139 where: short stacking energy: -892.313 Base-Backbone interact. energy: -1.708 local terms energy: -905.430678 where: bonds (distance) C4'-P energy: -165.901 bonds (distance) P-C4' energy: -174.517 flat angles C4'-P-C4' energy: -204.482 flat angles P-C4'-P energy: -132.756 tors. eta vs tors. theta energy: -227.773 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: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2127.864294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.864294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.864294 (E_RNA) where: Base-Base interactions energy: -1275.778 where: short stacking energy: -821.907 Base-Backbone interact. energy: -3.293 local terms energy: -848.792749 where: bonds (distance) C4'-P energy: -159.825 bonds (distance) P-C4' energy: -169.626 flat angles C4'-P-C4' energy: -187.775 flat angles P-C4'-P energy: -129.347 tors. eta vs tors. theta energy: -202.220 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1916.396488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.396488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.396488 (E_RNA) where: Base-Base interactions energy: -1168.256 where: short stacking energy: -689.348 Base-Backbone interact. energy: -2.088 local terms energy: -746.051724 where: bonds (distance) C4'-P energy: -165.379 bonds (distance) P-C4' energy: -158.999 flat angles C4'-P-C4' energy: -192.418 flat angles P-C4'-P energy: -106.954 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: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1697.761811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.761811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.761811 (E_RNA) where: Base-Base interactions energy: -956.779 where: short stacking energy: -618.541 Base-Backbone interact. energy: -0.521 local terms energy: -740.461458 where: bonds (distance) C4'-P energy: -144.655 bonds (distance) P-C4' energy: -179.531 flat angles C4'-P-C4' energy: -172.596 flat angles P-C4'-P energy: -121.085 tors. eta vs tors. theta energy: -122.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1231.139876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.139876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.139876 (E_RNA) where: Base-Base interactions energy: -605.289 where: short stacking energy: -466.792 Base-Backbone interact. energy: 3.808 local terms energy: -629.659423 where: bonds (distance) C4'-P energy: -153.719 bonds (distance) P-C4' energy: -150.131 flat angles C4'-P-C4' energy: -173.455 flat angles P-C4'-P energy: -79.084 tors. eta vs tors. theta energy: -73.271 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: 325 Temperature: 1.200000 Total energy: -1077.092236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.092236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.092236 (E_RNA) where: Base-Base interactions energy: -482.550 where: short stacking energy: -372.554 Base-Backbone interact. energy: 1.220 local terms energy: -595.762994 where: bonds (distance) C4'-P energy: -162.076 bonds (distance) P-C4' energy: -168.203 flat angles C4'-P-C4' energy: -157.668 flat angles P-C4'-P energy: -81.295 tors. eta vs tors. theta energy: -26.521 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: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -932.288939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.288939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.288939 (E_RNA) where: Base-Base interactions energy: -401.905 where: short stacking energy: -364.637 Base-Backbone interact. energy: -3.062 local terms energy: -527.321613 where: bonds (distance) C4'-P energy: -148.165 bonds (distance) P-C4' energy: -154.283 flat angles C4'-P-C4' energy: -147.920 flat angles P-C4'-P energy: -79.112 tors. eta vs tors. theta energy: 2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -873.126508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.126508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.126508 (E_RNA) where: Base-Base interactions energy: -348.112 where: short stacking energy: -315.696 Base-Backbone interact. energy: 7.119 local terms energy: -532.133079 where: bonds (distance) C4'-P energy: -144.930 bonds (distance) P-C4' energy: -160.929 flat angles C4'-P-C4' energy: -120.681 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -21.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -762.619322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.619322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.619322 (E_RNA) where: Base-Base interactions energy: -288.137 where: short stacking energy: -272.010 Base-Backbone interact. energy: 1.235 local terms energy: -475.717029 where: bonds (distance) C4'-P energy: -135.300 bonds (distance) P-C4' energy: -146.785 flat angles C4'-P-C4' energy: -128.953 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: 11.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2540.805934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.805934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.805934 (E_RNA) where: Base-Base interactions energy: -1589.543 where: short stacking energy: -925.458 Base-Backbone interact. energy: -4.214 local terms energy: -947.049057 where: bonds (distance) C4'-P energy: -170.495 bonds (distance) P-C4' energy: -184.870 flat angles C4'-P-C4' energy: -224.321 flat angles P-C4'-P energy: -125.839 tors. eta vs tors. theta energy: -241.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2342.800803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.800803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.800803 (E_RNA) where: Base-Base interactions energy: -1420.701 where: short stacking energy: -856.476 Base-Backbone interact. energy: -4.261 local terms energy: -917.838364 where: bonds (distance) C4'-P energy: -178.678 bonds (distance) P-C4' energy: -190.288 flat angles C4'-P-C4' energy: -203.545 flat angles P-C4'-P energy: -129.545 tors. eta vs tors. theta energy: -215.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2165.515784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.515784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.515784 (E_RNA) where: Base-Base interactions energy: -1282.987 where: short stacking energy: -825.389 Base-Backbone interact. energy: -1.860 local terms energy: -880.667939 where: bonds (distance) C4'-P energy: -176.322 bonds (distance) P-C4' energy: -183.450 flat angles C4'-P-C4' energy: -194.261 flat angles P-C4'-P energy: -125.830 tors. eta vs tors. theta energy: -200.805 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: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1906.548107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.548107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.548107 (E_RNA) where: Base-Base interactions energy: -1123.908 where: short stacking energy: -648.029 Base-Backbone interact. energy: -1.493 local terms energy: -781.147148 where: bonds (distance) C4'-P energy: -162.747 bonds (distance) P-C4' energy: -188.045 flat angles C4'-P-C4' energy: -175.369 flat angles P-C4'-P energy: -127.921 tors. eta vs tors. theta energy: -127.064 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: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1687.150259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.150259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.150259 (E_RNA) where: Base-Base interactions energy: -955.433 where: short stacking energy: -629.900 Base-Backbone interact. energy: 2.762 local terms energy: -734.479458 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -187.524 flat angles C4'-P-C4' energy: -182.952 flat angles P-C4'-P energy: -108.082 tors. eta vs tors. theta energy: -110.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1297.452967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.452967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.452967 (E_RNA) where: Base-Base interactions energy: -630.525 where: short stacking energy: -495.424 Base-Backbone interact. energy: -0.974 local terms energy: -665.954350 where: bonds (distance) C4'-P energy: -158.722 bonds (distance) P-C4' energy: -184.015 flat angles C4'-P-C4' energy: -152.783 flat angles P-C4'-P energy: -105.057 tors. eta vs tors. theta energy: -65.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -990.265515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.265515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.265515 (E_RNA) where: Base-Base interactions energy: -462.638 where: short stacking energy: -367.689 Base-Backbone interact. energy: 3.735 local terms energy: -531.362984 where: bonds (distance) C4'-P energy: -140.983 bonds (distance) P-C4' energy: -153.121 flat angles C4'-P-C4' energy: -142.063 flat angles P-C4'-P energy: -79.594 tors. eta vs tors. theta energy: -15.602 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: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -921.004968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.004968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.004968 (E_RNA) where: Base-Base interactions energy: -403.380 where: short stacking energy: -316.140 Base-Backbone interact. energy: -2.589 local terms energy: -515.035532 where: bonds (distance) C4'-P energy: -154.812 bonds (distance) P-C4' energy: -141.258 flat angles C4'-P-C4' energy: -127.440 flat angles P-C4'-P energy: -89.173 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -827.161978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.161978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.161978 (E_RNA) where: Base-Base interactions energy: -343.904 where: short stacking energy: -301.193 Base-Backbone interact. energy: 3.366 local terms energy: -486.623982 where: bonds (distance) C4'-P energy: -143.650 bonds (distance) P-C4' energy: -137.656 flat angles C4'-P-C4' energy: -123.758 flat angles P-C4'-P energy: -85.591 tors. eta vs tors. theta energy: 4.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -783.920422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.920422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.920422 (E_RNA) where: Base-Base interactions energy: -330.148 where: short stacking energy: -307.693 Base-Backbone interact. energy: 0.818 local terms energy: -454.590178 where: bonds (distance) C4'-P energy: -118.591 bonds (distance) P-C4' energy: -159.561 flat angles C4'-P-C4' energy: -118.851 flat angles P-C4'-P energy: -80.614 tors. eta vs tors. theta energy: 23.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2575.818696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.818696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.818696 (E_RNA) where: Base-Base interactions energy: -1632.548 where: short stacking energy: -988.742 Base-Backbone interact. energy: -6.335 local terms energy: -936.936012 where: bonds (distance) C4'-P energy: -187.918 bonds (distance) P-C4' energy: -173.957 flat angles C4'-P-C4' energy: -198.643 flat angles P-C4'-P energy: -132.324 tors. eta vs tors. theta energy: -244.094 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: 327 Temperature: 0.950000 Total energy: -2408.976240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.976240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.976240 (E_RNA) where: Base-Base interactions energy: -1489.271 where: short stacking energy: -877.283 Base-Backbone interact. energy: -5.979 local terms energy: -913.725681 where: bonds (distance) C4'-P energy: -180.176 bonds (distance) P-C4' energy: -168.765 flat angles C4'-P-C4' energy: -197.100 flat angles P-C4'-P energy: -133.411 tors. eta vs tors. theta energy: -234.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2202.656133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.656133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.656133 (E_RNA) where: Base-Base interactions energy: -1328.359 where: short stacking energy: -824.995 Base-Backbone interact. energy: -1.492 local terms energy: -872.805557 where: bonds (distance) C4'-P energy: -165.913 bonds (distance) P-C4' energy: -162.013 flat angles C4'-P-C4' energy: -205.606 flat angles P-C4'-P energy: -128.883 tors. eta vs tors. theta energy: -210.390 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: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1911.154933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.154933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.154933 (E_RNA) where: Base-Base interactions energy: -1127.785 where: short stacking energy: -687.146 Base-Backbone interact. energy: -4.121 local terms energy: -779.248406 where: bonds (distance) C4'-P energy: -160.995 bonds (distance) P-C4' energy: -162.078 flat angles C4'-P-C4' energy: -171.533 flat angles P-C4'-P energy: -128.733 tors. eta vs tors. theta energy: -155.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1808.883121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.883121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.883121 (E_RNA) where: Base-Base interactions energy: -1060.498 where: short stacking energy: -706.194 Base-Backbone interact. energy: -4.100 local terms energy: -744.285458 where: bonds (distance) C4'-P energy: -134.551 bonds (distance) P-C4' energy: -170.791 flat angles C4'-P-C4' energy: -185.321 flat angles P-C4'-P energy: -105.694 tors. eta vs tors. theta energy: -147.928 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: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1182.639733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.639733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.639733 (E_RNA) where: Base-Base interactions energy: -560.395 where: short stacking energy: -454.618 Base-Backbone interact. energy: 1.546 local terms energy: -623.790818 where: bonds (distance) C4'-P energy: -150.094 bonds (distance) P-C4' energy: -158.648 flat angles C4'-P-C4' energy: -157.272 flat angles P-C4'-P energy: -105.491 tors. eta vs tors. theta energy: -52.286 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1048.809796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.809796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.809796 (E_RNA) where: Base-Base interactions energy: -513.284 where: short stacking energy: -420.191 Base-Backbone interact. energy: -0.315 local terms energy: -535.211327 where: bonds (distance) C4'-P energy: -138.347 bonds (distance) P-C4' energy: -155.010 flat angles C4'-P-C4' energy: -127.670 flat angles P-C4'-P energy: -73.441 tors. eta vs tors. theta energy: -40.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -983.000432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.000432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.000432 (E_RNA) where: Base-Base interactions energy: -429.198 where: short stacking energy: -359.670 Base-Backbone interact. energy: -1.537 local terms energy: -552.265992 where: bonds (distance) C4'-P energy: -148.155 bonds (distance) P-C4' energy: -145.905 flat angles C4'-P-C4' energy: -149.304 flat angles P-C4'-P energy: -97.983 tors. eta vs tors. theta energy: -10.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -823.241408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.241408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.241408 (E_RNA) where: Base-Base interactions energy: -336.248 where: short stacking energy: -289.914 Base-Backbone interact. energy: 6.317 local terms energy: -493.310342 where: bonds (distance) C4'-P energy: -143.925 bonds (distance) P-C4' energy: -154.680 flat angles C4'-P-C4' energy: -120.517 flat angles P-C4'-P energy: -65.796 tors. eta vs tors. theta energy: -8.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -771.095358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.095358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.095358 (E_RNA) where: Base-Base interactions energy: -300.487 where: short stacking energy: -266.475 Base-Backbone interact. energy: 0.241 local terms energy: -470.849777 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -148.854 flat angles C4'-P-C4' energy: -129.512 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: 18.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2541.435206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.435206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.435206 (E_RNA) where: Base-Base interactions energy: -1582.973 where: short stacking energy: -948.289 Base-Backbone interact. energy: -5.075 local terms energy: -953.387278 where: bonds (distance) C4'-P energy: -178.567 bonds (distance) P-C4' energy: -197.195 flat angles C4'-P-C4' energy: -205.256 flat angles P-C4'-P energy: -128.753 tors. eta vs tors. theta energy: -243.616 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: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2412.297984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.297984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.297984 (E_RNA) where: Base-Base interactions energy: -1514.800 where: short stacking energy: -897.202 Base-Backbone interact. energy: -2.971 local terms energy: -894.526689 where: bonds (distance) C4'-P energy: -175.993 bonds (distance) P-C4' energy: -170.286 flat angles C4'-P-C4' energy: -200.503 flat angles P-C4'-P energy: -124.938 tors. eta vs tors. theta energy: -222.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2169.755843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.755843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.755843 (E_RNA) where: Base-Base interactions energy: -1307.147 where: short stacking energy: -838.242 Base-Backbone interact. energy: 2.171 local terms energy: -864.779154 where: bonds (distance) C4'-P energy: -158.569 bonds (distance) P-C4' energy: -173.262 flat angles C4'-P-C4' energy: -198.938 flat angles P-C4'-P energy: -126.748 tors. eta vs tors. theta energy: -207.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1951.417843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.417843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.417843 (E_RNA) where: Base-Base interactions energy: -1181.416 where: short stacking energy: -753.285 Base-Backbone interact. energy: 1.176 local terms energy: -771.177180 where: bonds (distance) C4'-P energy: -171.455 bonds (distance) P-C4' energy: -181.896 flat angles C4'-P-C4' energy: -169.859 flat angles P-C4'-P energy: -100.102 tors. eta vs tors. theta energy: -147.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1655.527721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.527721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.527721 (E_RNA) where: Base-Base interactions energy: -987.306 where: short stacking energy: -653.611 Base-Backbone interact. energy: -1.435 local terms energy: -666.786209 where: bonds (distance) C4'-P energy: -146.652 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -158.634 flat angles P-C4'-P energy: -94.676 tors. eta vs tors. theta energy: -117.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1185.317648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.317648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.317648 (E_RNA) where: Base-Base interactions energy: -534.073 where: short stacking energy: -453.008 Base-Backbone interact. energy: -1.563 local terms energy: -649.682430 where: bonds (distance) C4'-P energy: -163.062 bonds (distance) P-C4' energy: -155.827 flat angles C4'-P-C4' energy: -167.656 flat angles P-C4'-P energy: -91.479 tors. eta vs tors. theta energy: -71.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1043.543304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.543304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.543304 (E_RNA) where: Base-Base interactions energy: -453.809 where: short stacking energy: -343.849 Base-Backbone interact. energy: -3.822 local terms energy: -585.911742 where: bonds (distance) C4'-P energy: -175.027 bonds (distance) P-C4' energy: -151.419 flat angles C4'-P-C4' energy: -136.880 flat angles P-C4'-P energy: -93.263 tors. eta vs tors. theta energy: -29.322 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: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -986.139291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.139291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.139291 (E_RNA) where: Base-Base interactions energy: -436.337 where: short stacking energy: -335.872 Base-Backbone interact. energy: 0.798 local terms energy: -550.600189 where: bonds (distance) C4'-P energy: -138.478 bonds (distance) P-C4' energy: -159.761 flat angles C4'-P-C4' energy: -147.068 flat angles P-C4'-P energy: -94.054 tors. eta vs tors. theta energy: -11.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -810.481528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.481528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.481528 (E_RNA) where: Base-Base interactions energy: -312.575 where: short stacking energy: -263.515 Base-Backbone interact. energy: -2.746 local terms energy: -495.160064 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -164.448 flat angles C4'-P-C4' energy: -135.185 flat angles P-C4'-P energy: -62.805 tors. eta vs tors. theta energy: 11.891 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: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -754.666385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.666385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.666385 (E_RNA) where: Base-Base interactions energy: -296.716 where: short stacking energy: -250.025 Base-Backbone interact. energy: 3.344 local terms energy: -461.294193 where: bonds (distance) C4'-P energy: -136.990 bonds (distance) P-C4' energy: -149.714 flat angles C4'-P-C4' energy: -138.716 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: 23.086 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: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2520.159262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.159262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.159262 (E_RNA) where: Base-Base interactions energy: -1596.729 where: short stacking energy: -969.686 Base-Backbone interact. energy: -2.021 local terms energy: -921.409862 where: bonds (distance) C4'-P energy: -163.860 bonds (distance) P-C4' energy: -184.328 flat angles C4'-P-C4' energy: -201.497 flat angles P-C4'-P energy: -136.291 tors. eta vs tors. theta energy: -235.435 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: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2401.685005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.685005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.685005 (E_RNA) where: Base-Base interactions energy: -1484.896 where: short stacking energy: -860.649 Base-Backbone interact. energy: -2.668 local terms energy: -914.120917 where: bonds (distance) C4'-P energy: -182.138 bonds (distance) P-C4' energy: -175.999 flat angles C4'-P-C4' energy: -195.145 flat angles P-C4'-P energy: -138.130 tors. eta vs tors. theta energy: -222.709 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: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2095.831131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.831131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.831131 (E_RNA) where: Base-Base interactions energy: -1251.769 where: short stacking energy: -807.294 Base-Backbone interact. energy: -0.849 local terms energy: -843.213441 where: bonds (distance) C4'-P energy: -180.739 bonds (distance) P-C4' energy: -175.013 flat angles C4'-P-C4' energy: -180.271 flat angles P-C4'-P energy: -116.944 tors. eta vs tors. theta energy: -190.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1956.571185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.571185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.571185 (E_RNA) where: Base-Base interactions energy: -1173.259 where: short stacking energy: -736.953 Base-Backbone interact. energy: 1.553 local terms energy: -784.865866 where: bonds (distance) C4'-P energy: -177.032 bonds (distance) P-C4' energy: -153.368 flat angles C4'-P-C4' energy: -186.526 flat angles P-C4'-P energy: -119.450 tors. eta vs tors. theta energy: -148.491 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: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1648.378121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.378121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.378121 (E_RNA) where: Base-Base interactions energy: -960.804 where: short stacking energy: -635.902 Base-Backbone interact. energy: -5.487 local terms energy: -682.086533 where: bonds (distance) C4'-P energy: -158.682 bonds (distance) P-C4' energy: -142.107 flat angles C4'-P-C4' energy: -160.647 flat angles P-C4'-P energy: -96.057 tors. eta vs tors. theta energy: -124.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1160.966070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.966070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.966070 (E_RNA) where: Base-Base interactions energy: -557.942 where: short stacking energy: -466.881 Base-Backbone interact. energy: 0.659 local terms energy: -603.683140 where: bonds (distance) C4'-P energy: -155.076 bonds (distance) P-C4' energy: -165.624 flat angles C4'-P-C4' energy: -144.450 flat angles P-C4'-P energy: -88.672 tors. eta vs tors. theta energy: -49.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1036.798210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.798210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.798210 (E_RNA) where: Base-Base interactions energy: -447.453 where: short stacking energy: -341.201 Base-Backbone interact. energy: -2.230 local terms energy: -587.115313 where: bonds (distance) C4'-P energy: -156.699 bonds (distance) P-C4' energy: -171.553 flat angles C4'-P-C4' energy: -152.254 flat angles P-C4'-P energy: -95.673 tors. eta vs tors. theta energy: -10.937 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: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -991.340993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.340993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.340993 (E_RNA) where: Base-Base interactions energy: -427.225 where: short stacking energy: -330.081 Base-Backbone interact. energy: -1.398 local terms energy: -562.718816 where: bonds (distance) C4'-P energy: -129.918 bonds (distance) P-C4' energy: -158.911 flat angles C4'-P-C4' energy: -169.099 flat angles P-C4'-P energy: -91.747 tors. eta vs tors. theta energy: -13.044 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: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -787.424683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.424683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.424683 (E_RNA) where: Base-Base interactions energy: -291.227 where: short stacking energy: -269.830 Base-Backbone interact. energy: 0.786 local terms energy: -496.984036 where: bonds (distance) C4'-P energy: -146.546 bonds (distance) P-C4' energy: -158.129 flat angles C4'-P-C4' energy: -137.633 flat angles P-C4'-P energy: -69.598 tors. eta vs tors. theta energy: 14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -764.082985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.082985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.082985 (E_RNA) where: Base-Base interactions energy: -261.802 where: short stacking energy: -231.969 Base-Backbone interact. energy: -1.567 local terms energy: -500.714204 where: bonds (distance) C4'-P energy: -153.598 bonds (distance) P-C4' energy: -158.699 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -82.399 tors. eta vs tors. theta energy: 31.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2518.469969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.469969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.469969 (E_RNA) where: Base-Base interactions energy: -1562.799 where: short stacking energy: -956.532 Base-Backbone interact. energy: -1.952 local terms energy: -953.719498 where: bonds (distance) C4'-P energy: -185.738 bonds (distance) P-C4' energy: -179.415 flat angles C4'-P-C4' energy: -218.535 flat angles P-C4'-P energy: -127.592 tors. eta vs tors. theta energy: -242.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2430.941008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.941008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.941008 (E_RNA) where: Base-Base interactions energy: -1533.096 where: short stacking energy: -903.127 Base-Backbone interact. energy: -5.614 local terms energy: -892.231610 where: bonds (distance) C4'-P energy: -176.432 bonds (distance) P-C4' energy: -185.420 flat angles C4'-P-C4' energy: -193.127 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -231.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2187.847051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.847051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.847051 (E_RNA) where: Base-Base interactions energy: -1321.258 where: short stacking energy: -840.801 Base-Backbone interact. energy: 1.689 local terms energy: -868.278055 where: bonds (distance) C4'-P energy: -182.544 bonds (distance) P-C4' energy: -172.624 flat angles C4'-P-C4' energy: -189.636 flat angles P-C4'-P energy: -123.351 tors. eta vs tors. theta energy: -200.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1926.298704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.298704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.298704 (E_RNA) where: Base-Base interactions energy: -1152.420 where: short stacking energy: -706.078 Base-Backbone interact. energy: -1.970 local terms energy: -771.908730 where: bonds (distance) C4'-P energy: -169.405 bonds (distance) P-C4' energy: -168.971 flat angles C4'-P-C4' energy: -173.197 flat angles P-C4'-P energy: -123.128 tors. eta vs tors. theta energy: -137.207 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: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1681.840370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.840370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.840370 (E_RNA) where: Base-Base interactions energy: -974.917 where: short stacking energy: -626.245 Base-Backbone interact. energy: 4.230 local terms energy: -711.152527 where: bonds (distance) C4'-P energy: -161.953 bonds (distance) P-C4' energy: -171.056 flat angles C4'-P-C4' energy: -161.317 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -127.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1205.399785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.399785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.399785 (E_RNA) where: Base-Base interactions energy: -560.453 where: short stacking energy: -450.095 Base-Backbone interact. energy: 4.787 local terms energy: -649.734380 where: bonds (distance) C4'-P energy: -144.555 bonds (distance) P-C4' energy: -188.339 flat angles C4'-P-C4' energy: -153.433 flat angles P-C4'-P energy: -81.774 tors. eta vs tors. theta energy: -81.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1053.659442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.659442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.659442 (E_RNA) where: Base-Base interactions energy: -495.212 where: short stacking energy: -401.949 Base-Backbone interact. energy: 0.187 local terms energy: -558.634713 where: bonds (distance) C4'-P energy: -126.656 bonds (distance) P-C4' energy: -163.687 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -26.460 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: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -945.616987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.616987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.616987 (E_RNA) where: Base-Base interactions energy: -417.052 where: short stacking energy: -359.755 Base-Backbone interact. energy: 0.755 local terms energy: -529.319745 where: bonds (distance) C4'-P energy: -129.848 bonds (distance) P-C4' energy: -164.534 flat angles C4'-P-C4' energy: -135.635 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -15.259 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: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -819.513271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.513271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.513271 (E_RNA) where: Base-Base interactions energy: -295.624 where: short stacking energy: -273.766 Base-Backbone interact. energy: -2.831 local terms energy: -521.058093 where: bonds (distance) C4'-P energy: -135.540 bonds (distance) P-C4' energy: -157.151 flat angles C4'-P-C4' energy: -135.705 flat angles P-C4'-P energy: -94.104 tors. eta vs tors. theta energy: 1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -781.858245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.858245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.858245 (E_RNA) where: Base-Base interactions energy: -333.598 where: short stacking energy: -277.176 Base-Backbone interact. energy: 6.896 local terms energy: -455.156234 where: bonds (distance) C4'-P energy: -135.017 bonds (distance) P-C4' energy: -149.864 flat angles C4'-P-C4' energy: -122.259 flat angles P-C4'-P energy: -70.469 tors. eta vs tors. theta energy: 22.453 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: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2523.606856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.606856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.606856 (E_RNA) where: Base-Base interactions energy: -1585.753 where: short stacking energy: -959.022 Base-Backbone interact. energy: -0.374 local terms energy: -937.479898 where: bonds (distance) C4'-P energy: -170.697 bonds (distance) P-C4' energy: -177.169 flat angles C4'-P-C4' energy: -202.017 flat angles P-C4'-P energy: -149.143 tors. eta vs tors. theta energy: -238.454 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: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2384.953320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.953320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.953320 (E_RNA) where: Base-Base interactions energy: -1477.779 where: short stacking energy: -873.131 Base-Backbone interact. energy: -3.974 local terms energy: -903.200526 where: bonds (distance) C4'-P energy: -184.780 bonds (distance) P-C4' energy: -171.615 flat angles C4'-P-C4' energy: -201.158 flat angles P-C4'-P energy: -125.794 tors. eta vs tors. theta energy: -219.853 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: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2166.143792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.143792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.143792 (E_RNA) where: Base-Base interactions energy: -1316.988 where: short stacking energy: -837.588 Base-Backbone interact. energy: 2.433 local terms energy: -851.589099 where: bonds (distance) C4'-P energy: -161.799 bonds (distance) P-C4' energy: -178.477 flat angles C4'-P-C4' energy: -192.416 flat angles P-C4'-P energy: -109.374 tors. eta vs tors. theta energy: -209.522 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: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1878.479429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.479429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.479429 (E_RNA) where: Base-Base interactions energy: -1132.621 where: short stacking energy: -671.203 Base-Backbone interact. energy: -0.489 local terms energy: -745.369751 where: bonds (distance) C4'-P energy: -147.525 bonds (distance) P-C4' energy: -175.631 flat angles C4'-P-C4' energy: -168.361 flat angles P-C4'-P energy: -121.380 tors. eta vs tors. theta energy: -132.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1631.829245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.829245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.829245 (E_RNA) where: Base-Base interactions energy: -928.386 where: short stacking energy: -611.442 Base-Backbone interact. energy: 0.563 local terms energy: -704.006220 where: bonds (distance) C4'-P energy: -161.432 bonds (distance) P-C4' energy: -152.346 flat angles C4'-P-C4' energy: -169.338 flat angles P-C4'-P energy: -112.895 tors. eta vs tors. theta energy: -107.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1279.672414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.672414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.672414 (E_RNA) where: Base-Base interactions energy: -653.969 where: short stacking energy: -509.164 Base-Backbone interact. energy: 4.451 local terms energy: -630.153882 where: bonds (distance) C4'-P energy: -152.393 bonds (distance) P-C4' energy: -160.829 flat angles C4'-P-C4' energy: -160.304 flat angles P-C4'-P energy: -92.461 tors. eta vs tors. theta energy: -64.167 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: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1089.234776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.234776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.234776 (E_RNA) where: Base-Base interactions energy: -524.778 where: short stacking energy: -429.535 Base-Backbone interact. energy: -3.961 local terms energy: -560.494973 where: bonds (distance) C4'-P energy: -148.165 bonds (distance) P-C4' energy: -153.602 flat angles C4'-P-C4' energy: -138.821 flat angles P-C4'-P energy: -79.887 tors. eta vs tors. theta energy: -40.020 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -960.748832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.748832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.748832 (E_RNA) where: Base-Base interactions energy: -439.988 where: short stacking energy: -344.981 Base-Backbone interact. energy: 6.526 local terms energy: -527.287195 where: bonds (distance) C4'-P energy: -140.617 bonds (distance) P-C4' energy: -167.794 flat angles C4'-P-C4' energy: -141.007 flat angles P-C4'-P energy: -68.207 tors. eta vs tors. theta energy: -9.663 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: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -806.431128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.431128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.431128 (E_RNA) where: Base-Base interactions energy: -358.319 where: short stacking energy: -331.194 Base-Backbone interact. energy: -1.356 local terms energy: -446.755849 where: bonds (distance) C4'-P energy: -114.765 bonds (distance) P-C4' energy: -158.419 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -738.958082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.958082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.958082 (E_RNA) where: Base-Base interactions energy: -284.574 where: short stacking energy: -256.939 Base-Backbone interact. energy: -1.853 local terms energy: -452.531283 where: bonds (distance) C4'-P energy: -136.870 bonds (distance) P-C4' energy: -159.280 flat angles C4'-P-C4' energy: -132.062 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: 27.978 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: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2544.711998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.711998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.711998 (E_RNA) where: Base-Base interactions energy: -1598.819 where: short stacking energy: -923.547 Base-Backbone interact. energy: -4.563 local terms energy: -941.329502 where: bonds (distance) C4'-P energy: -188.994 bonds (distance) P-C4' energy: -192.999 flat angles C4'-P-C4' energy: -187.395 flat angles P-C4'-P energy: -142.991 tors. eta vs tors. theta energy: -228.950 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: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2357.953663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.953663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.953663 (E_RNA) where: Base-Base interactions energy: -1480.152 where: short stacking energy: -884.683 Base-Backbone interact. energy: -3.929 local terms energy: -873.872536 where: bonds (distance) C4'-P energy: -175.033 bonds (distance) P-C4' energy: -188.937 flat angles C4'-P-C4' energy: -193.254 flat angles P-C4'-P energy: -111.623 tors. eta vs tors. theta energy: -205.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2241.725452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.725452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.725452 (E_RNA) where: Base-Base interactions energy: -1385.183 where: short stacking energy: -875.305 Base-Backbone interact. energy: -3.592 local terms energy: -852.950634 where: bonds (distance) C4'-P energy: -157.521 bonds (distance) P-C4' energy: -150.958 flat angles C4'-P-C4' energy: -192.015 flat angles P-C4'-P energy: -140.668 tors. eta vs tors. theta energy: -211.788 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: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1945.109671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.109671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.109671 (E_RNA) where: Base-Base interactions energy: -1142.895 where: short stacking energy: -704.562 Base-Backbone interact. energy: -2.350 local terms energy: -799.864764 where: bonds (distance) C4'-P energy: -165.735 bonds (distance) P-C4' energy: -176.650 flat angles C4'-P-C4' energy: -176.671 flat angles P-C4'-P energy: -127.550 tors. eta vs tors. theta energy: -153.259 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1722.185342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.185342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.185342 (E_RNA) where: Base-Base interactions energy: -974.492 where: short stacking energy: -610.209 Base-Backbone interact. energy: -1.865 local terms energy: -745.827913 where: bonds (distance) C4'-P energy: -177.504 bonds (distance) P-C4' energy: -186.158 flat angles C4'-P-C4' energy: -152.623 flat angles P-C4'-P energy: -113.878 tors. eta vs tors. theta energy: -115.665 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: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1215.134409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.134409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.134409 (E_RNA) where: Base-Base interactions energy: -611.112 where: short stacking energy: -485.279 Base-Backbone interact. energy: -1.528 local terms energy: -602.493914 where: bonds (distance) C4'-P energy: -150.763 bonds (distance) P-C4' energy: -173.128 flat angles C4'-P-C4' energy: -138.245 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -61.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1152.328288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.328288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.328288 (E_RNA) where: Base-Base interactions energy: -544.431 where: short stacking energy: -425.940 Base-Backbone interact. energy: -1.751 local terms energy: -606.146251 where: bonds (distance) C4'-P energy: -146.070 bonds (distance) P-C4' energy: -170.369 flat angles C4'-P-C4' energy: -151.259 flat angles P-C4'-P energy: -80.604 tors. eta vs tors. theta energy: -57.845 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: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1061.242640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.242640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.242640 (E_RNA) where: Base-Base interactions energy: -517.099 where: short stacking energy: -378.155 Base-Backbone interact. energy: -4.179 local terms energy: -539.964692 where: bonds (distance) C4'-P energy: -137.866 bonds (distance) P-C4' energy: -158.493 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -82.135 tors. eta vs tors. theta energy: -26.598 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: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -844.672407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.672407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.672407 (E_RNA) where: Base-Base interactions energy: -336.400 where: short stacking energy: -264.776 Base-Backbone interact. energy: 8.446 local terms energy: -516.718551 where: bonds (distance) C4'-P energy: -136.882 bonds (distance) P-C4' energy: -160.477 flat angles C4'-P-C4' energy: -145.126 flat angles P-C4'-P energy: -79.971 tors. eta vs tors. theta energy: 5.738 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: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -761.550159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.550159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.550159 (E_RNA) where: Base-Base interactions energy: -289.989 where: short stacking energy: -243.730 Base-Backbone interact. energy: 1.833 local terms energy: -473.394125 where: bonds (distance) C4'-P energy: -132.508 bonds (distance) P-C4' energy: -156.504 flat angles C4'-P-C4' energy: -131.118 flat angles P-C4'-P energy: -70.713 tors. eta vs tors. theta energy: 17.449 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: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2598.616754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.616754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.616754 (E_RNA) where: Base-Base interactions energy: -1627.767 where: short stacking energy: -984.061 Base-Backbone interact. energy: -5.488 local terms energy: -965.362536 where: bonds (distance) C4'-P energy: -174.188 bonds (distance) P-C4' energy: -195.625 flat angles C4'-P-C4' energy: -200.952 flat angles P-C4'-P energy: -137.042 tors. eta vs tors. theta energy: -257.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2340.636121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.636121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.636121 (E_RNA) where: Base-Base interactions energy: -1449.765 where: short stacking energy: -878.142 Base-Backbone interact. energy: -2.990 local terms energy: -887.881384 where: bonds (distance) C4'-P energy: -185.583 bonds (distance) P-C4' energy: -171.641 flat angles C4'-P-C4' energy: -199.848 flat angles P-C4'-P energy: -122.443 tors. eta vs tors. theta energy: -208.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2170.428919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.428919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.428919 (E_RNA) where: Base-Base interactions energy: -1312.558 where: short stacking energy: -817.877 Base-Backbone interact. energy: -1.252 local terms energy: -856.619065 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -181.667 flat angles C4'-P-C4' energy: -196.295 flat angles P-C4'-P energy: -126.177 tors. eta vs tors. theta energy: -211.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1962.057488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.057488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.057488 (E_RNA) where: Base-Base interactions energy: -1164.343 where: short stacking energy: -729.133 Base-Backbone interact. energy: -3.717 local terms energy: -793.997920 where: bonds (distance) C4'-P energy: -177.189 bonds (distance) P-C4' energy: -169.221 flat angles C4'-P-C4' energy: -176.311 flat angles P-C4'-P energy: -114.099 tors. eta vs tors. theta energy: -157.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1670.645482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.645482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.645482 (E_RNA) where: Base-Base interactions energy: -969.452 where: short stacking energy: -606.340 Base-Backbone interact. energy: -3.601 local terms energy: -697.592508 where: bonds (distance) C4'-P energy: -163.789 bonds (distance) P-C4' energy: -158.694 flat angles C4'-P-C4' energy: -164.120 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -111.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1278.822677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.822677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.822677 (E_RNA) where: Base-Base interactions energy: -642.055 where: short stacking energy: -498.289 Base-Backbone interact. energy: -3.391 local terms energy: -633.376485 where: bonds (distance) C4'-P energy: -149.751 bonds (distance) P-C4' energy: -159.732 flat angles C4'-P-C4' energy: -150.042 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -80.489 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: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1057.839131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.839131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.839131 (E_RNA) where: Base-Base interactions energy: -470.022 where: short stacking energy: -396.421 Base-Backbone interact. energy: -2.240 local terms energy: -585.576724 where: bonds (distance) C4'-P energy: -154.677 bonds (distance) P-C4' energy: -165.066 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -78.760 tors. eta vs tors. theta energy: -45.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -985.111756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.111756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.111756 (E_RNA) where: Base-Base interactions energy: -423.301 where: short stacking energy: -308.492 Base-Backbone interact. energy: 1.088 local terms energy: -562.898475 where: bonds (distance) C4'-P energy: -150.329 bonds (distance) P-C4' energy: -170.706 flat angles C4'-P-C4' energy: -126.281 flat angles P-C4'-P energy: -100.849 tors. eta vs tors. theta energy: -14.733 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: 333 Temperature: 1.300000 Total energy: -815.178043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.178043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.178043 (E_RNA) where: Base-Base interactions energy: -305.989 where: short stacking energy: -251.631 Base-Backbone interact. energy: 2.632 local terms energy: -511.821082 where: bonds (distance) C4'-P energy: -158.153 bonds (distance) P-C4' energy: -152.887 flat angles C4'-P-C4' energy: -145.586 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: 17.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -726.041911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.041911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.041911 (E_RNA) where: Base-Base interactions energy: -301.521 where: short stacking energy: -256.023 Base-Backbone interact. energy: -0.255 local terms energy: -424.265841 where: bonds (distance) C4'-P energy: -96.510 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -120.880 flat angles P-C4'-P energy: -79.681 tors. eta vs tors. theta energy: 27.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2576.164080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.164080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.164080 (E_RNA) where: Base-Base interactions energy: -1621.061 where: short stacking energy: -956.703 Base-Backbone interact. energy: -2.634 local terms energy: -952.469268 where: bonds (distance) C4'-P energy: -169.324 bonds (distance) P-C4' energy: -185.113 flat angles C4'-P-C4' energy: -213.629 flat angles P-C4'-P energy: -143.229 tors. eta vs tors. theta energy: -241.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2390.689430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.689430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.689430 (E_RNA) where: Base-Base interactions energy: -1508.047 where: short stacking energy: -893.318 Base-Backbone interact. energy: -4.238 local terms energy: -878.404276 where: bonds (distance) C4'-P energy: -159.139 bonds (distance) P-C4' energy: -180.094 flat angles C4'-P-C4' energy: -184.769 flat angles P-C4'-P energy: -141.785 tors. eta vs tors. theta energy: -212.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2079.942612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.942612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.942612 (E_RNA) where: Base-Base interactions energy: -1208.337 where: short stacking energy: -769.264 Base-Backbone interact. energy: -2.340 local terms energy: -869.266086 where: bonds (distance) C4'-P energy: -167.075 bonds (distance) P-C4' energy: -191.419 flat angles C4'-P-C4' energy: -194.275 flat angles P-C4'-P energy: -124.725 tors. eta vs tors. theta energy: -191.772 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: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1953.564471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.564471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.564471 (E_RNA) where: Base-Base interactions energy: -1155.651 where: short stacking energy: -721.084 Base-Backbone interact. energy: -1.919 local terms energy: -795.994856 where: bonds (distance) C4'-P energy: -158.140 bonds (distance) P-C4' energy: -177.004 flat angles C4'-P-C4' energy: -182.078 flat angles P-C4'-P energy: -129.841 tors. eta vs tors. theta energy: -148.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1685.836154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.836154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.836154 (E_RNA) where: Base-Base interactions energy: -953.015 where: short stacking energy: -614.755 Base-Backbone interact. energy: -2.009 local terms energy: -730.812117 where: bonds (distance) C4'-P energy: -170.862 bonds (distance) P-C4' energy: -167.107 flat angles C4'-P-C4' energy: -175.268 flat angles P-C4'-P energy: -96.885 tors. eta vs tors. theta energy: -120.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1288.587508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.587508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.587508 (E_RNA) where: Base-Base interactions energy: -647.706 where: short stacking energy: -471.447 Base-Backbone interact. energy: -0.594 local terms energy: -640.287770 where: bonds (distance) C4'-P energy: -165.314 bonds (distance) P-C4' energy: -173.108 flat angles C4'-P-C4' energy: -144.845 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -64.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1041.528108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.528108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.528108 (E_RNA) where: Base-Base interactions energy: -448.276 where: short stacking energy: -391.319 Base-Backbone interact. energy: 0.727 local terms energy: -593.979615 where: bonds (distance) C4'-P energy: -155.447 bonds (distance) P-C4' energy: -172.930 flat angles C4'-P-C4' energy: -148.881 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: -36.765 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: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -929.245893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.245893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.245893 (E_RNA) where: Base-Base interactions energy: -421.489 where: short stacking energy: -317.706 Base-Backbone interact. energy: 7.136 local terms energy: -514.892773 where: bonds (distance) C4'-P energy: -155.093 bonds (distance) P-C4' energy: -149.953 flat angles C4'-P-C4' energy: -140.718 flat angles P-C4'-P energy: -85.001 tors. eta vs tors. theta energy: 15.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -848.064487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.064487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.064487 (E_RNA) where: Base-Base interactions energy: -357.825 where: short stacking energy: -303.157 Base-Backbone interact. energy: 1.548 local terms energy: -491.786955 where: bonds (distance) C4'-P energy: -144.286 bonds (distance) P-C4' energy: -137.162 flat angles C4'-P-C4' energy: -122.779 flat angles P-C4'-P energy: -86.610 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -840.521022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.521022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.521022 (E_RNA) where: Base-Base interactions energy: -341.902 where: short stacking energy: -298.707 Base-Backbone interact. energy: 5.826 local terms energy: -504.445515 where: bonds (distance) C4'-P energy: -134.872 bonds (distance) P-C4' energy: -147.700 flat angles C4'-P-C4' energy: -141.094 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: 2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2507.594613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.594613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.594613 (E_RNA) where: Base-Base interactions energy: -1587.895 where: short stacking energy: -951.462 Base-Backbone interact. energy: -3.233 local terms energy: -916.466225 where: bonds (distance) C4'-P energy: -169.637 bonds (distance) P-C4' energy: -171.576 flat angles C4'-P-C4' energy: -201.393 flat angles P-C4'-P energy: -136.134 tors. eta vs tors. theta energy: -237.726 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: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2372.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.705047 (E_RNA) where: Base-Base interactions energy: -1465.527 where: short stacking energy: -850.938 Base-Backbone interact. energy: -3.992 local terms energy: -903.185837 where: bonds (distance) C4'-P energy: -175.889 bonds (distance) P-C4' energy: -192.236 flat angles C4'-P-C4' energy: -188.021 flat angles P-C4'-P energy: -133.951 tors. eta vs tors. theta energy: -213.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2147.676525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.676525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.676525 (E_RNA) where: Base-Base interactions energy: -1308.851 where: short stacking energy: -855.047 Base-Backbone interact. energy: -0.559 local terms energy: -838.265990 where: bonds (distance) C4'-P energy: -169.716 bonds (distance) P-C4' energy: -172.217 flat angles C4'-P-C4' energy: -171.063 flat angles P-C4'-P energy: -128.984 tors. eta vs tors. theta energy: -196.286 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: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1888.068619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.068619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.068619 (E_RNA) where: Base-Base interactions energy: -1128.999 where: short stacking energy: -699.634 Base-Backbone interact. energy: -4.499 local terms energy: -754.570479 where: bonds (distance) C4'-P energy: -172.622 bonds (distance) P-C4' energy: -160.287 flat angles C4'-P-C4' energy: -172.542 flat angles P-C4'-P energy: -106.220 tors. eta vs tors. theta energy: -142.900 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: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1631.069997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.069997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.069997 (E_RNA) where: Base-Base interactions energy: -947.103 where: short stacking energy: -553.386 Base-Backbone interact. energy: -2.070 local terms energy: -681.896902 where: bonds (distance) C4'-P energy: -161.564 bonds (distance) P-C4' energy: -179.042 flat angles C4'-P-C4' energy: -141.548 flat angles P-C4'-P energy: -104.598 tors. eta vs tors. theta energy: -95.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1347.405988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.405988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.405988 (E_RNA) where: Base-Base interactions energy: -736.052 where: short stacking energy: -492.146 Base-Backbone interact. energy: 0.906 local terms energy: -612.259598 where: bonds (distance) C4'-P energy: -143.662 bonds (distance) P-C4' energy: -180.285 flat angles C4'-P-C4' energy: -129.971 flat angles P-C4'-P energy: -102.667 tors. eta vs tors. theta energy: -55.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1063.105702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.105702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.105702 (E_RNA) where: Base-Base interactions energy: -502.230 where: short stacking energy: -411.908 Base-Backbone interact. energy: -1.133 local terms energy: -559.743504 where: bonds (distance) C4'-P energy: -149.496 bonds (distance) P-C4' energy: -147.190 flat angles C4'-P-C4' energy: -144.406 flat angles P-C4'-P energy: -94.355 tors. eta vs tors. theta energy: -24.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1009.405043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.405043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.405043 (E_RNA) where: Base-Base interactions energy: -461.354 where: short stacking energy: -395.535 Base-Backbone interact. energy: 6.942 local terms energy: -554.993306 where: bonds (distance) C4'-P energy: -138.146 bonds (distance) P-C4' energy: -164.731 flat angles C4'-P-C4' energy: -144.788 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -26.186 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: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -844.233515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.233515 (E_RNA) where: Base-Base interactions energy: -322.877 where: short stacking energy: -283.052 Base-Backbone interact. energy: -0.999 local terms energy: -520.356990 where: bonds (distance) C4'-P energy: -170.313 bonds (distance) P-C4' energy: -152.079 flat angles C4'-P-C4' energy: -122.209 flat angles P-C4'-P energy: -84.662 tors. eta vs tors. theta energy: 8.906 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: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -753.372135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.372135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.372135 (E_RNA) where: Base-Base interactions energy: -279.441 where: short stacking energy: -246.020 Base-Backbone interact. energy: -1.682 local terms energy: -472.248615 where: bonds (distance) C4'-P energy: -134.713 bonds (distance) P-C4' energy: -162.012 flat angles C4'-P-C4' energy: -115.030 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: 21.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2548.843061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.843061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.843061 (E_RNA) where: Base-Base interactions energy: -1609.032 where: short stacking energy: -947.525 Base-Backbone interact. energy: -2.321 local terms energy: -937.489824 where: bonds (distance) C4'-P energy: -176.193 bonds (distance) P-C4' energy: -192.588 flat angles C4'-P-C4' energy: -190.962 flat angles P-C4'-P energy: -140.712 tors. eta vs tors. theta energy: -237.034 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: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2394.823548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.823548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.823548 (E_RNA) where: Base-Base interactions energy: -1503.994 where: short stacking energy: -863.976 Base-Backbone interact. energy: -3.733 local terms energy: -887.096129 where: bonds (distance) C4'-P energy: -169.520 bonds (distance) P-C4' energy: -172.277 flat angles C4'-P-C4' energy: -202.167 flat angles P-C4'-P energy: -130.262 tors. eta vs tors. theta energy: -212.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2170.983201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.983201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.983201 (E_RNA) where: Base-Base interactions energy: -1309.666 where: short stacking energy: -839.598 Base-Backbone interact. energy: -1.223 local terms energy: -860.093965 where: bonds (distance) C4'-P energy: -170.080 bonds (distance) P-C4' energy: -165.383 flat angles C4'-P-C4' energy: -188.544 flat angles P-C4'-P energy: -124.262 tors. eta vs tors. theta energy: -211.826 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: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1927.324632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.324632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.324632 (E_RNA) where: Base-Base interactions energy: -1143.803 where: short stacking energy: -714.975 Base-Backbone interact. energy: -1.250 local terms energy: -782.272086 where: bonds (distance) C4'-P energy: -158.273 bonds (distance) P-C4' energy: -168.244 flat angles C4'-P-C4' energy: -166.644 flat angles P-C4'-P energy: -122.360 tors. eta vs tors. theta energy: -166.752 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: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1727.896169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.896169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.896169 (E_RNA) where: Base-Base interactions energy: -980.378 where: short stacking energy: -630.157 Base-Backbone interact. energy: 1.094 local terms energy: -748.612241 where: bonds (distance) C4'-P energy: -162.590 bonds (distance) P-C4' energy: -175.825 flat angles C4'-P-C4' energy: -170.359 flat angles P-C4'-P energy: -104.304 tors. eta vs tors. theta energy: -135.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1350.832255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.832255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.832255 (E_RNA) where: Base-Base interactions energy: -708.504 where: short stacking energy: -471.406 Base-Backbone interact. energy: -3.462 local terms energy: -638.866402 where: bonds (distance) C4'-P energy: -150.622 bonds (distance) P-C4' energy: -157.890 flat angles C4'-P-C4' energy: -164.849 flat angles P-C4'-P energy: -106.218 tors. eta vs tors. theta energy: -59.288 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: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1093.349321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.349321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.349321 (E_RNA) where: Base-Base interactions energy: -483.847 where: short stacking energy: -405.063 Base-Backbone interact. energy: -2.257 local terms energy: -607.245210 where: bonds (distance) C4'-P energy: -153.823 bonds (distance) P-C4' energy: -170.558 flat angles C4'-P-C4' energy: -157.469 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -32.649 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: 336 Temperature: 1.250000 Total energy: -972.601521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.601521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.601521 (E_RNA) where: Base-Base interactions energy: -405.103 where: short stacking energy: -345.444 Base-Backbone interact. energy: 0.060 local terms energy: -567.558338 where: bonds (distance) C4'-P energy: -158.587 bonds (distance) P-C4' energy: -159.696 flat angles C4'-P-C4' energy: -154.163 flat angles P-C4'-P energy: -76.386 tors. eta vs tors. theta energy: -18.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -840.636064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.636064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.636064 (E_RNA) where: Base-Base interactions energy: -326.840 where: short stacking energy: -302.417 Base-Backbone interact. energy: -1.090 local terms energy: -512.705943 where: bonds (distance) C4'-P energy: -157.376 bonds (distance) P-C4' energy: -147.280 flat angles C4'-P-C4' energy: -138.590 flat angles P-C4'-P energy: -87.426 tors. eta vs tors. theta energy: 17.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -745.512680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.512680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.512680 (E_RNA) where: Base-Base interactions energy: -247.490 where: short stacking energy: -219.900 Base-Backbone interact. energy: 4.025 local terms energy: -502.047952 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -148.855 flat angles C4'-P-C4' energy: -174.337 flat angles P-C4'-P energy: -89.621 tors. eta vs tors. theta energy: 34.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2567.512086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.512086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.512086 (E_RNA) where: Base-Base interactions energy: -1609.027 where: short stacking energy: -959.983 Base-Backbone interact. energy: -2.678 local terms energy: -955.807162 where: bonds (distance) C4'-P energy: -188.830 bonds (distance) P-C4' energy: -183.481 flat angles C4'-P-C4' energy: -198.077 flat angles P-C4'-P energy: -143.694 tors. eta vs tors. theta energy: -241.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2354.778185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.778185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.778185 (E_RNA) where: Base-Base interactions energy: -1504.372 where: short stacking energy: -828.903 Base-Backbone interact. energy: -1.883 local terms energy: -848.522833 where: bonds (distance) C4'-P energy: -159.499 bonds (distance) P-C4' energy: -156.801 flat angles C4'-P-C4' energy: -198.709 flat angles P-C4'-P energy: -120.939 tors. eta vs tors. theta energy: -212.575 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: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2143.650876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.650876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.650876 (E_RNA) where: Base-Base interactions energy: -1288.674 where: short stacking energy: -807.563 Base-Backbone interact. energy: -7.271 local terms energy: -847.705637 where: bonds (distance) C4'-P energy: -168.176 bonds (distance) P-C4' energy: -176.162 flat angles C4'-P-C4' energy: -189.002 flat angles P-C4'-P energy: -119.104 tors. eta vs tors. theta energy: -195.261 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: 6 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1904.507524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.507524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.507524 (E_RNA) where: Base-Base interactions energy: -1110.758 where: short stacking energy: -680.822 Base-Backbone interact. energy: -0.099 local terms energy: -793.650830 where: bonds (distance) C4'-P energy: -161.042 bonds (distance) P-C4' energy: -183.984 flat angles C4'-P-C4' energy: -191.392 flat angles P-C4'-P energy: -104.816 tors. eta vs tors. theta energy: -152.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1700.504903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.504903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.504903 (E_RNA) where: Base-Base interactions energy: -971.778 where: short stacking energy: -632.425 Base-Backbone interact. energy: 0.172 local terms energy: -728.898673 where: bonds (distance) C4'-P energy: -150.836 bonds (distance) P-C4' energy: -158.111 flat angles C4'-P-C4' energy: -196.124 flat angles P-C4'-P energy: -97.470 tors. eta vs tors. theta energy: -126.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1407.065992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.065992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.065992 (E_RNA) where: Base-Base interactions energy: -741.710 where: short stacking energy: -515.876 Base-Backbone interact. energy: 1.892 local terms energy: -667.247847 where: bonds (distance) C4'-P energy: -163.583 bonds (distance) P-C4' energy: -151.777 flat angles C4'-P-C4' energy: -167.097 flat angles P-C4'-P energy: -97.105 tors. eta vs tors. theta energy: -87.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1047.139824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.139824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.139824 (E_RNA) where: Base-Base interactions energy: -490.598 where: short stacking energy: -374.224 Base-Backbone interact. energy: 1.959 local terms energy: -558.500745 where: bonds (distance) C4'-P energy: -147.113 bonds (distance) P-C4' energy: -162.481 flat angles C4'-P-C4' energy: -145.798 flat angles P-C4'-P energy: -85.113 tors. eta vs tors. theta energy: -17.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -927.997854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.997854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.997854 (E_RNA) where: Base-Base interactions energy: -413.723 where: short stacking energy: -363.063 Base-Backbone interact. energy: 2.521 local terms energy: -516.795860 where: bonds (distance) C4'-P energy: -138.796 bonds (distance) P-C4' energy: -153.330 flat angles C4'-P-C4' energy: -133.723 flat angles P-C4'-P energy: -72.478 tors. eta vs tors. theta energy: -18.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -838.602777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.602777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.602777 (E_RNA) where: Base-Base interactions energy: -327.162 where: short stacking energy: -310.755 Base-Backbone interact. energy: 1.735 local terms energy: -513.176007 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -144.119 flat angles C4'-P-C4' energy: -148.540 flat angles P-C4'-P energy: -66.369 tors. eta vs tors. theta energy: -5.080 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: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -756.352914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.352914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.352914 (E_RNA) where: Base-Base interactions energy: -315.690 where: short stacking energy: -271.211 Base-Backbone interact. energy: 0.760 local terms energy: -441.422883 where: bonds (distance) C4'-P energy: -125.160 bonds (distance) P-C4' energy: -148.077 flat angles C4'-P-C4' energy: -127.049 flat angles P-C4'-P energy: -48.237 tors. eta vs tors. theta energy: 7.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2562.284941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.284941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.284941 (E_RNA) where: Base-Base interactions energy: -1616.027 where: short stacking energy: -955.770 Base-Backbone interact. energy: -3.309 local terms energy: -942.948583 where: bonds (distance) C4'-P energy: -184.908 bonds (distance) P-C4' energy: -184.177 flat angles C4'-P-C4' energy: -204.318 flat angles P-C4'-P energy: -138.363 tors. eta vs tors. theta energy: -231.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2368.918469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.918469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.918469 (E_RNA) where: Base-Base interactions energy: -1476.698 where: short stacking energy: -876.192 Base-Backbone interact. energy: -1.841 local terms energy: -890.379550 where: bonds (distance) C4'-P energy: -165.107 bonds (distance) P-C4' energy: -168.313 flat angles C4'-P-C4' energy: -201.386 flat angles P-C4'-P energy: -143.139 tors. eta vs tors. theta energy: -212.435 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: 338 Temperature: 1.000000 Total energy: -2138.786348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.786348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.786348 (E_RNA) where: Base-Base interactions energy: -1281.648 where: short stacking energy: -829.425 Base-Backbone interact. energy: -1.066 local terms energy: -856.072172 where: bonds (distance) C4'-P energy: -168.913 bonds (distance) P-C4' energy: -169.520 flat angles C4'-P-C4' energy: -198.810 flat angles P-C4'-P energy: -118.995 tors. eta vs tors. theta energy: -199.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1888.435224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.435224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.435224 (E_RNA) where: Base-Base interactions energy: -1103.082 where: short stacking energy: -729.011 Base-Backbone interact. energy: 0.073 local terms energy: -785.426240 where: bonds (distance) C4'-P energy: -166.113 bonds (distance) P-C4' energy: -156.702 flat angles C4'-P-C4' energy: -198.702 flat angles P-C4'-P energy: -112.533 tors. eta vs tors. theta energy: -151.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1707.031896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.031896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.031896 (E_RNA) where: Base-Base interactions energy: -979.595 where: short stacking energy: -643.642 Base-Backbone interact. energy: -7.860 local terms energy: -719.576261 where: bonds (distance) C4'-P energy: -164.155 bonds (distance) P-C4' energy: -156.471 flat angles C4'-P-C4' energy: -169.532 flat angles P-C4'-P energy: -121.563 tors. eta vs tors. theta energy: -107.854 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: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1391.678569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.678569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.678569 (E_RNA) where: Base-Base interactions energy: -706.216 where: short stacking energy: -539.776 Base-Backbone interact. energy: -1.421 local terms energy: -684.040911 where: bonds (distance) C4'-P energy: -147.426 bonds (distance) P-C4' energy: -179.989 flat angles C4'-P-C4' energy: -154.233 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -104.008 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: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1111.666371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.666371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.666371 (E_RNA) where: Base-Base interactions energy: -544.040 where: short stacking energy: -406.536 Base-Backbone interact. energy: -0.187 local terms energy: -567.438746 where: bonds (distance) C4'-P energy: -147.562 bonds (distance) P-C4' energy: -164.800 flat angles C4'-P-C4' energy: -160.894 flat angles P-C4'-P energy: -82.061 tors. eta vs tors. theta energy: -12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -977.819681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.819681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.819681 (E_RNA) where: Base-Base interactions energy: -431.079 where: short stacking energy: -365.757 Base-Backbone interact. energy: -0.693 local terms energy: -546.046796 where: bonds (distance) C4'-P energy: -140.289 bonds (distance) P-C4' energy: -177.758 flat angles C4'-P-C4' energy: -127.386 flat angles P-C4'-P energy: -80.678 tors. eta vs tors. theta energy: -19.936 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: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -803.214270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.214270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.214270 (E_RNA) where: Base-Base interactions energy: -329.115 where: short stacking energy: -290.868 Base-Backbone interact. energy: 2.393 local terms energy: -476.492468 where: bonds (distance) C4'-P energy: -150.721 bonds (distance) P-C4' energy: -148.469 flat angles C4'-P-C4' energy: -129.827 flat angles P-C4'-P energy: -74.536 tors. eta vs tors. theta energy: 27.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -760.043340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.043340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.043340 (E_RNA) where: Base-Base interactions energy: -304.701 where: short stacking energy: -262.202 Base-Backbone interact. energy: 8.994 local terms energy: -464.336526 where: bonds (distance) C4'-P energy: -143.744 bonds (distance) P-C4' energy: -134.891 flat angles C4'-P-C4' energy: -132.440 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: 11.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2540.789417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.789417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.789417 (E_RNA) where: Base-Base interactions energy: -1608.850 where: short stacking energy: -945.328 Base-Backbone interact. energy: -3.858 local terms energy: -928.080773 where: bonds (distance) C4'-P energy: -179.100 bonds (distance) P-C4' energy: -197.312 flat angles C4'-P-C4' energy: -188.131 flat angles P-C4'-P energy: -127.250 tors. eta vs tors. theta energy: -236.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2386.372298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.372298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.372298 (E_RNA) where: Base-Base interactions energy: -1498.914 where: short stacking energy: -888.274 Base-Backbone interact. energy: -5.678 local terms energy: -881.780348 where: bonds (distance) C4'-P energy: -184.412 bonds (distance) P-C4' energy: -177.688 flat angles C4'-P-C4' energy: -196.848 flat angles P-C4'-P energy: -121.628 tors. eta vs tors. theta energy: -201.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2113.520639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.520639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.520639 (E_RNA) where: Base-Base interactions energy: -1282.759 where: short stacking energy: -803.942 Base-Backbone interact. energy: -1.653 local terms energy: -829.109270 where: bonds (distance) C4'-P energy: -175.666 bonds (distance) P-C4' energy: -196.094 flat angles C4'-P-C4' energy: -169.382 flat angles P-C4'-P energy: -109.311 tors. eta vs tors. theta energy: -178.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1896.728428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.728428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.728428 (E_RNA) where: Base-Base interactions energy: -1113.154 where: short stacking energy: -734.434 Base-Backbone interact. energy: -0.607 local terms energy: -782.967319 where: bonds (distance) C4'-P energy: -168.122 bonds (distance) P-C4' energy: -158.166 flat angles C4'-P-C4' energy: -176.356 flat angles P-C4'-P energy: -133.543 tors. eta vs tors. theta energy: -146.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1734.443657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.443657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.443657 (E_RNA) where: Base-Base interactions energy: -971.846 where: short stacking energy: -614.807 Base-Backbone interact. energy: -2.312 local terms energy: -760.285744 where: bonds (distance) C4'-P energy: -165.145 bonds (distance) P-C4' energy: -173.752 flat angles C4'-P-C4' energy: -187.369 flat angles P-C4'-P energy: -112.959 tors. eta vs tors. theta energy: -121.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1366.775909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.775909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.775909 (E_RNA) where: Base-Base interactions energy: -726.584 where: short stacking energy: -544.417 Base-Backbone interact. energy: -5.893 local terms energy: -634.299034 where: bonds (distance) C4'-P energy: -143.296 bonds (distance) P-C4' energy: -163.466 flat angles C4'-P-C4' energy: -154.833 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -88.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1123.690697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.690697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.690697 (E_RNA) where: Base-Base interactions energy: -507.026 where: short stacking energy: -374.113 Base-Backbone interact. energy: -2.732 local terms energy: -613.933196 where: bonds (distance) C4'-P energy: -157.392 bonds (distance) P-C4' energy: -193.437 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -95.445 tors. eta vs tors. theta energy: -13.084 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: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -924.362117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.362117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.362117 (E_RNA) where: Base-Base interactions energy: -370.794 where: short stacking energy: -311.689 Base-Backbone interact. energy: 1.527 local terms energy: -555.095252 where: bonds (distance) C4'-P energy: -158.184 bonds (distance) P-C4' energy: -149.419 flat angles C4'-P-C4' energy: -149.110 flat angles P-C4'-P energy: -85.680 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -880.998431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.998431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.998431 (E_RNA) where: Base-Base interactions energy: -373.191 where: short stacking energy: -323.477 Base-Backbone interact. energy: 5.900 local terms energy: -513.707899 where: bonds (distance) C4'-P energy: -161.530 bonds (distance) P-C4' energy: -157.032 flat angles C4'-P-C4' energy: -114.317 flat angles P-C4'-P energy: -68.998 tors. eta vs tors. theta energy: -11.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -765.774682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.774682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.774682 (E_RNA) where: Base-Base interactions energy: -300.158 where: short stacking energy: -246.730 Base-Backbone interact. energy: -0.848 local terms energy: -464.768576 where: bonds (distance) C4'-P energy: -142.527 bonds (distance) P-C4' energy: -164.581 flat angles C4'-P-C4' energy: -125.307 flat angles P-C4'-P energy: -48.830 tors. eta vs tors. theta energy: 16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2585.072178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.072178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.072178 (E_RNA) where: Base-Base interactions energy: -1636.869 where: short stacking energy: -968.520 Base-Backbone interact. energy: -2.265 local terms energy: -945.938720 where: bonds (distance) C4'-P energy: -173.907 bonds (distance) P-C4' energy: -180.955 flat angles C4'-P-C4' energy: -207.564 flat angles P-C4'-P energy: -135.489 tors. eta vs tors. theta energy: -248.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2408.068949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.068949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.068949 (E_RNA) where: Base-Base interactions energy: -1502.069 where: short stacking energy: -885.343 Base-Backbone interact. energy: -4.685 local terms energy: -901.314858 where: bonds (distance) C4'-P energy: -177.393 bonds (distance) P-C4' energy: -175.416 flat angles C4'-P-C4' energy: -204.098 flat angles P-C4'-P energy: -126.146 tors. eta vs tors. theta energy: -218.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2136.665777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.665777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.665777 (E_RNA) where: Base-Base interactions energy: -1295.333 where: short stacking energy: -816.632 Base-Backbone interact. energy: -2.650 local terms energy: -838.681969 where: bonds (distance) C4'-P energy: -160.787 bonds (distance) P-C4' energy: -167.762 flat angles C4'-P-C4' energy: -197.603 flat angles P-C4'-P energy: -128.773 tors. eta vs tors. theta energy: -183.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1872.742346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.742346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.742346 (E_RNA) where: Base-Base interactions energy: -1081.558 where: short stacking energy: -696.371 Base-Backbone interact. energy: -3.449 local terms energy: -787.734480 where: bonds (distance) C4'-P energy: -165.176 bonds (distance) P-C4' energy: -179.467 flat angles C4'-P-C4' energy: -180.334 flat angles P-C4'-P energy: -109.878 tors. eta vs tors. theta energy: -152.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1728.309982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.309982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.309982 (E_RNA) where: Base-Base interactions energy: -994.703 where: short stacking energy: -595.415 Base-Backbone interact. energy: 0.211 local terms energy: -733.817955 where: bonds (distance) C4'-P energy: -171.741 bonds (distance) P-C4' energy: -172.449 flat angles C4'-P-C4' energy: -179.612 flat angles P-C4'-P energy: -103.168 tors. eta vs tors. theta energy: -106.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1284.100162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.100162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.100162 (E_RNA) where: Base-Base interactions energy: -640.514 where: short stacking energy: -465.540 Base-Backbone interact. energy: 0.707 local terms energy: -644.293552 where: bonds (distance) C4'-P energy: -155.809 bonds (distance) P-C4' energy: -185.016 flat angles C4'-P-C4' energy: -147.081 flat angles P-C4'-P energy: -97.224 tors. eta vs tors. theta energy: -59.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1069.832227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.832227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.832227 (E_RNA) where: Base-Base interactions energy: -498.318 where: short stacking energy: -389.741 Base-Backbone interact. energy: 1.919 local terms energy: -573.433807 where: bonds (distance) C4'-P energy: -157.964 bonds (distance) P-C4' energy: -168.979 flat angles C4'-P-C4' energy: -149.125 flat angles P-C4'-P energy: -76.736 tors. eta vs tors. theta energy: -20.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1002.958430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.958430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.958430 (E_RNA) where: Base-Base interactions energy: -437.826 where: short stacking energy: -333.434 Base-Backbone interact. energy: 4.511 local terms energy: -569.643882 where: bonds (distance) C4'-P energy: -159.596 bonds (distance) P-C4' energy: -164.866 flat angles C4'-P-C4' energy: -137.967 flat angles P-C4'-P energy: -74.870 tors. eta vs tors. theta energy: -32.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -863.193419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.193419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.193419 (E_RNA) where: Base-Base interactions energy: -357.003 where: short stacking energy: -308.814 Base-Backbone interact. energy: -1.478 local terms energy: -504.712470 where: bonds (distance) C4'-P energy: -143.456 bonds (distance) P-C4' energy: -154.711 flat angles C4'-P-C4' energy: -147.329 flat angles P-C4'-P energy: -66.962 tors. eta vs tors. theta energy: 7.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -807.607426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.607426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.607426 (E_RNA) where: Base-Base interactions energy: -354.057 where: short stacking energy: -291.453 Base-Backbone interact. energy: 3.040 local terms energy: -456.590112 where: bonds (distance) C4'-P energy: -109.652 bonds (distance) P-C4' energy: -164.949 flat angles C4'-P-C4' energy: -138.235 flat angles P-C4'-P energy: -80.256 tors. eta vs tors. theta energy: 36.502 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: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2520.166924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.166924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.166924 (E_RNA) where: Base-Base interactions energy: -1588.811 where: short stacking energy: -939.543 Base-Backbone interact. energy: -1.443 local terms energy: -929.913260 where: bonds (distance) C4'-P energy: -174.239 bonds (distance) P-C4' energy: -183.810 flat angles C4'-P-C4' energy: -203.704 flat angles P-C4'-P energy: -128.806 tors. eta vs tors. theta energy: -239.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2413.731742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.731742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.731742 (E_RNA) where: Base-Base interactions energy: -1502.957 where: short stacking energy: -869.896 Base-Backbone interact. energy: -1.013 local terms energy: -909.761568 where: bonds (distance) C4'-P energy: -180.523 bonds (distance) P-C4' energy: -187.793 flat angles C4'-P-C4' energy: -199.367 flat angles P-C4'-P energy: -132.722 tors. eta vs tors. theta energy: -209.356 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: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2133.334844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.334844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.334844 (E_RNA) where: Base-Base interactions energy: -1315.839 where: short stacking energy: -805.271 Base-Backbone interact. energy: -1.650 local terms energy: -815.845913 where: bonds (distance) C4'-P energy: -151.438 bonds (distance) P-C4' energy: -179.586 flat angles C4'-P-C4' energy: -187.855 flat angles P-C4'-P energy: -109.802 tors. eta vs tors. theta energy: -187.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1828.167193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.167193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.167193 (E_RNA) where: Base-Base interactions energy: -1059.818 where: short stacking energy: -706.697 Base-Backbone interact. energy: -0.359 local terms energy: -767.990467 where: bonds (distance) C4'-P energy: -148.989 bonds (distance) P-C4' energy: -175.550 flat angles C4'-P-C4' energy: -180.363 flat angles P-C4'-P energy: -122.730 tors. eta vs tors. theta energy: -140.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1711.338169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.338169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.338169 (E_RNA) where: Base-Base interactions energy: -993.246 where: short stacking energy: -603.013 Base-Backbone interact. energy: 1.723 local terms energy: -719.815464 where: bonds (distance) C4'-P energy: -157.104 bonds (distance) P-C4' energy: -150.574 flat angles C4'-P-C4' energy: -170.820 flat angles P-C4'-P energy: -113.291 tors. eta vs tors. theta energy: -128.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1288.448023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.448023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.448023 (E_RNA) where: Base-Base interactions energy: -646.426 where: short stacking energy: -519.012 Base-Backbone interact. energy: 2.267 local terms energy: -644.288614 where: bonds (distance) C4'-P energy: -164.177 bonds (distance) P-C4' energy: -166.240 flat angles C4'-P-C4' energy: -152.193 flat angles P-C4'-P energy: -91.119 tors. eta vs tors. theta energy: -70.560 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: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1095.353524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.353524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.353524 (E_RNA) where: Base-Base interactions energy: -514.527 where: short stacking energy: -427.559 Base-Backbone interact. energy: 4.015 local terms energy: -584.840822 where: bonds (distance) C4'-P energy: -143.185 bonds (distance) P-C4' energy: -151.030 flat angles C4'-P-C4' energy: -150.206 flat angles P-C4'-P energy: -80.345 tors. eta vs tors. theta energy: -60.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -982.033780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.033780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.033780 (E_RNA) where: Base-Base interactions energy: -437.510 where: short stacking energy: -333.325 Base-Backbone interact. energy: -3.738 local terms energy: -540.785354 where: bonds (distance) C4'-P energy: -147.054 bonds (distance) P-C4' energy: -148.114 flat angles C4'-P-C4' energy: -130.945 flat angles P-C4'-P energy: -96.629 tors. eta vs tors. theta energy: -18.043 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: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -821.872822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.872822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.872822 (E_RNA) where: Base-Base interactions energy: -336.075 where: short stacking energy: -272.011 Base-Backbone interact. energy: -1.372 local terms energy: -484.426623 where: bonds (distance) C4'-P energy: -135.144 bonds (distance) P-C4' energy: -164.809 flat angles C4'-P-C4' energy: -129.167 flat angles P-C4'-P energy: -79.677 tors. eta vs tors. theta energy: 24.370 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: 341 Temperature: 1.350000 Total energy: -747.581920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.581920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.581920 (E_RNA) where: Base-Base interactions energy: -287.182 where: short stacking energy: -261.537 Base-Backbone interact. energy: 9.115 local terms energy: -469.513994 where: bonds (distance) C4'-P energy: -160.589 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -127.364 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: 29.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2542.267956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.267956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.267956 (E_RNA) where: Base-Base interactions energy: -1576.516 where: short stacking energy: -953.211 Base-Backbone interact. energy: -3.799 local terms energy: -961.952575 where: bonds (distance) C4'-P energy: -197.779 bonds (distance) P-C4' energy: -188.873 flat angles C4'-P-C4' energy: -198.868 flat angles P-C4'-P energy: -146.393 tors. eta vs tors. theta energy: -230.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2392.141423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.141423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.141423 (E_RNA) where: Base-Base interactions energy: -1485.481 where: short stacking energy: -883.012 Base-Backbone interact. energy: -4.239 local terms energy: -902.421466 where: bonds (distance) C4'-P energy: -176.057 bonds (distance) P-C4' energy: -180.809 flat angles C4'-P-C4' energy: -196.069 flat angles P-C4'-P energy: -129.656 tors. eta vs tors. theta energy: -219.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2161.007392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.007392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.007392 (E_RNA) where: Base-Base interactions energy: -1334.956 where: short stacking energy: -803.246 Base-Backbone interact. energy: 0.871 local terms energy: -826.922957 where: bonds (distance) C4'-P energy: -183.999 bonds (distance) P-C4' energy: -157.330 flat angles C4'-P-C4' energy: -175.269 flat angles P-C4'-P energy: -119.005 tors. eta vs tors. theta energy: -191.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1895.542009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.542009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.542009 (E_RNA) where: Base-Base interactions energy: -1115.197 where: short stacking energy: -726.852 Base-Backbone interact. energy: -0.153 local terms energy: -780.192461 where: bonds (distance) C4'-P energy: -172.711 bonds (distance) P-C4' energy: -168.463 flat angles C4'-P-C4' energy: -172.847 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -157.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1734.340589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.340589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.340589 (E_RNA) where: Base-Base interactions energy: -1045.440 where: short stacking energy: -622.537 Base-Backbone interact. energy: 0.781 local terms energy: -689.681716 where: bonds (distance) C4'-P energy: -163.376 bonds (distance) P-C4' energy: -157.956 flat angles C4'-P-C4' energy: -164.638 flat angles P-C4'-P energy: -108.847 tors. eta vs tors. theta energy: -94.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1282.185487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.185487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.185487 (E_RNA) where: Base-Base interactions energy: -669.316 where: short stacking energy: -498.048 Base-Backbone interact. energy: -1.833 local terms energy: -611.036395 where: bonds (distance) C4'-P energy: -144.272 bonds (distance) P-C4' energy: -163.154 flat angles C4'-P-C4' energy: -155.539 flat angles P-C4'-P energy: -89.121 tors. eta vs tors. theta energy: -58.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1119.285500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.285500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.285500 (E_RNA) where: Base-Base interactions energy: -545.149 where: short stacking energy: -438.726 Base-Backbone interact. energy: 3.883 local terms energy: -578.018848 where: bonds (distance) C4'-P energy: -136.254 bonds (distance) P-C4' energy: -188.702 flat angles C4'-P-C4' energy: -138.977 flat angles P-C4'-P energy: -71.977 tors. eta vs tors. theta energy: -42.109 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: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -963.350734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.350734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.350734 (E_RNA) where: Base-Base interactions energy: -418.189 where: short stacking energy: -349.500 Base-Backbone interact. energy: 7.716 local terms energy: -552.877910 where: bonds (distance) C4'-P energy: -145.186 bonds (distance) P-C4' energy: -169.785 flat angles C4'-P-C4' energy: -149.521 flat angles P-C4'-P energy: -82.665 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -870.335755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.335755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.335755 (E_RNA) where: Base-Base interactions energy: -346.253 where: short stacking energy: -302.449 Base-Backbone interact. energy: 3.651 local terms energy: -527.733754 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -167.583 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -83.149 tors. eta vs tors. theta energy: 1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -764.174230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.174230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.174230 (E_RNA) where: Base-Base interactions energy: -313.932 where: short stacking energy: -283.750 Base-Backbone interact. energy: -2.204 local terms energy: -448.037786 where: bonds (distance) C4'-P energy: -136.067 bonds (distance) P-C4' energy: -150.061 flat angles C4'-P-C4' energy: -123.084 flat angles P-C4'-P energy: -62.132 tors. eta vs tors. theta energy: 23.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2494.113911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.113911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.113911 (E_RNA) where: Base-Base interactions energy: -1554.331 where: short stacking energy: -948.672 Base-Backbone interact. energy: -3.504 local terms energy: -936.279191 where: bonds (distance) C4'-P energy: -183.406 bonds (distance) P-C4' energy: -196.111 flat angles C4'-P-C4' energy: -198.865 flat angles P-C4'-P energy: -118.241 tors. eta vs tors. theta energy: -239.657 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: 343 Temperature: 0.950000 Total energy: -2311.819724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.819724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.819724 (E_RNA) where: Base-Base interactions energy: -1424.902 where: short stacking energy: -862.825 Base-Backbone interact. energy: -5.902 local terms energy: -881.015419 where: bonds (distance) C4'-P energy: -158.405 bonds (distance) P-C4' energy: -186.345 flat angles C4'-P-C4' energy: -189.928 flat angles P-C4'-P energy: -134.325 tors. eta vs tors. theta energy: -212.012 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: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2170.537194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.537194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.537194 (E_RNA) where: Base-Base interactions energy: -1351.022 where: short stacking energy: -830.415 Base-Backbone interact. energy: 2.875 local terms energy: -822.390139 where: bonds (distance) C4'-P energy: -154.495 bonds (distance) P-C4' energy: -178.301 flat angles C4'-P-C4' energy: -180.159 flat angles P-C4'-P energy: -124.302 tors. eta vs tors. theta energy: -185.133 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: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1867.761884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.761884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.761884 (E_RNA) where: Base-Base interactions energy: -1064.056 where: short stacking energy: -707.433 Base-Backbone interact. energy: -2.077 local terms energy: -801.628636 where: bonds (distance) C4'-P energy: -178.582 bonds (distance) P-C4' energy: -167.563 flat angles C4'-P-C4' energy: -172.509 flat angles P-C4'-P energy: -128.131 tors. eta vs tors. theta energy: -154.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1736.545361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.545361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.545361 (E_RNA) where: Base-Base interactions energy: -1005.469 where: short stacking energy: -653.991 Base-Backbone interact. energy: -3.228 local terms energy: -727.849176 where: bonds (distance) C4'-P energy: -155.568 bonds (distance) P-C4' energy: -179.954 flat angles C4'-P-C4' energy: -159.777 flat angles P-C4'-P energy: -106.106 tors. eta vs tors. theta energy: -126.445 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: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1311.515192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.515192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.515192 (E_RNA) where: Base-Base interactions energy: -668.218 where: short stacking energy: -506.460 Base-Backbone interact. energy: -3.134 local terms energy: -640.162681 where: bonds (distance) C4'-P energy: -140.384 bonds (distance) P-C4' energy: -163.645 flat angles C4'-P-C4' energy: -169.078 flat angles P-C4'-P energy: -101.790 tors. eta vs tors. theta energy: -65.266 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: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1006.711954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.711954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.711954 (E_RNA) where: Base-Base interactions energy: -481.399 where: short stacking energy: -394.634 Base-Backbone interact. energy: -0.305 local terms energy: -525.008357 where: bonds (distance) C4'-P energy: -109.101 bonds (distance) P-C4' energy: -160.802 flat angles C4'-P-C4' energy: -128.134 flat angles P-C4'-P energy: -92.880 tors. eta vs tors. theta energy: -34.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1046.857645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.857645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.857645 (E_RNA) where: Base-Base interactions energy: -470.694 where: short stacking energy: -390.828 Base-Backbone interact. energy: -2.614 local terms energy: -573.550394 where: bonds (distance) C4'-P energy: -153.247 bonds (distance) P-C4' energy: -175.547 flat angles C4'-P-C4' energy: -123.085 flat angles P-C4'-P energy: -76.396 tors. eta vs tors. theta energy: -45.275 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: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -826.021278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.021278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.021278 (E_RNA) where: Base-Base interactions energy: -306.152 where: short stacking energy: -285.394 Base-Backbone interact. energy: 3.686 local terms energy: -523.555155 where: bonds (distance) C4'-P energy: -144.415 bonds (distance) P-C4' energy: -162.410 flat angles C4'-P-C4' energy: -134.737 flat angles P-C4'-P energy: -93.169 tors. eta vs tors. theta energy: 11.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -737.207763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.207763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.207763 (E_RNA) where: Base-Base interactions energy: -302.612 where: short stacking energy: -279.264 Base-Backbone interact. energy: 9.460 local terms energy: -444.056161 where: bonds (distance) C4'-P energy: -138.128 bonds (distance) P-C4' energy: -143.034 flat angles C4'-P-C4' energy: -131.258 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: 31.985 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: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2526.583312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.583312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.583312 (E_RNA) where: Base-Base interactions energy: -1599.133 where: short stacking energy: -925.422 Base-Backbone interact. energy: 0.334 local terms energy: -927.785129 where: bonds (distance) C4'-P energy: -175.853 bonds (distance) P-C4' energy: -188.956 flat angles C4'-P-C4' energy: -199.767 flat angles P-C4'-P energy: -139.632 tors. eta vs tors. theta energy: -223.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2365.615601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.615601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.615601 (E_RNA) where: Base-Base interactions energy: -1446.273 where: short stacking energy: -901.519 Base-Backbone interact. energy: -2.313 local terms energy: -917.030060 where: bonds (distance) C4'-P energy: -178.742 bonds (distance) P-C4' energy: -193.835 flat angles C4'-P-C4' energy: -198.961 flat angles P-C4'-P energy: -126.559 tors. eta vs tors. theta energy: -218.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2089.192680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.192680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.192680 (E_RNA) where: Base-Base interactions energy: -1235.736 where: short stacking energy: -829.633 Base-Backbone interact. energy: 3.302 local terms energy: -856.758632 where: bonds (distance) C4'-P energy: -157.640 bonds (distance) P-C4' energy: -182.279 flat angles C4'-P-C4' energy: -192.504 flat angles P-C4'-P energy: -125.362 tors. eta vs tors. theta energy: -198.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1872.281438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.281438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.281438 (E_RNA) where: Base-Base interactions energy: -1078.946 where: short stacking energy: -660.135 Base-Backbone interact. energy: -2.974 local terms energy: -790.361398 where: bonds (distance) C4'-P energy: -165.699 bonds (distance) P-C4' energy: -182.202 flat angles C4'-P-C4' energy: -177.166 flat angles P-C4'-P energy: -124.613 tors. eta vs tors. theta energy: -140.682 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: 344 Temperature: 1.100000 Total energy: -1667.433763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.433763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.433763 (E_RNA) where: Base-Base interactions energy: -969.296 where: short stacking energy: -594.533 Base-Backbone interact. energy: -1.247 local terms energy: -696.890669 where: bonds (distance) C4'-P energy: -164.863 bonds (distance) P-C4' energy: -164.243 flat angles C4'-P-C4' energy: -172.017 flat angles P-C4'-P energy: -92.275 tors. eta vs tors. theta energy: -103.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1316.091438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.091438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.091438 (E_RNA) where: Base-Base interactions energy: -666.482 where: short stacking energy: -479.540 Base-Backbone interact. energy: -1.054 local terms energy: -648.554889 where: bonds (distance) C4'-P energy: -152.695 bonds (distance) P-C4' energy: -169.905 flat angles C4'-P-C4' energy: -170.955 flat angles P-C4'-P energy: -82.796 tors. eta vs tors. theta energy: -72.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1072.849719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.849719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.849719 (E_RNA) where: Base-Base interactions energy: -464.921 where: short stacking energy: -408.496 Base-Backbone interact. energy: -0.572 local terms energy: -607.356754 where: bonds (distance) C4'-P energy: -149.814 bonds (distance) P-C4' energy: -166.533 flat angles C4'-P-C4' energy: -150.670 flat angles P-C4'-P energy: -101.467 tors. eta vs tors. theta energy: -38.874 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: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -946.982131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.982131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.982131 (E_RNA) where: Base-Base interactions energy: -407.131 where: short stacking energy: -355.007 Base-Backbone interact. energy: 4.828 local terms energy: -544.678937 where: bonds (distance) C4'-P energy: -161.182 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -145.136 flat angles P-C4'-P energy: -63.492 tors. eta vs tors. theta energy: -24.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -821.594530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.594530 (E_RNA) where: Base-Base interactions energy: -333.495 where: short stacking energy: -316.623 Base-Backbone interact. energy: -1.143 local terms energy: -486.956739 where: bonds (distance) C4'-P energy: -136.315 bonds (distance) P-C4' energy: -139.654 flat angles C4'-P-C4' energy: -123.299 flat angles P-C4'-P energy: -79.686 tors. eta vs tors. theta energy: -8.003 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: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -749.415479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.415479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.415479 (E_RNA) where: Base-Base interactions energy: -286.911 where: short stacking energy: -235.789 Base-Backbone interact. energy: 2.296 local terms energy: -464.801333 where: bonds (distance) C4'-P energy: -128.741 bonds (distance) P-C4' energy: -173.862 flat angles C4'-P-C4' energy: -119.739 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: 11.990 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: 1, replica: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2533.654084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.654084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.654084 (E_RNA) where: Base-Base interactions energy: -1578.741 where: short stacking energy: -902.695 Base-Backbone interact. energy: -3.381 local terms energy: -951.531401 where: bonds (distance) C4'-P energy: -181.328 bonds (distance) P-C4' energy: -196.290 flat angles C4'-P-C4' energy: -199.557 flat angles P-C4'-P energy: -142.005 tors. eta vs tors. theta energy: -232.351 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: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2346.728349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.728349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.728349 (E_RNA) where: Base-Base interactions energy: -1462.707 where: short stacking energy: -878.076 Base-Backbone interact. energy: -2.407 local terms energy: -881.615160 where: bonds (distance) C4'-P energy: -175.520 bonds (distance) P-C4' energy: -158.898 flat angles C4'-P-C4' energy: -191.216 flat angles P-C4'-P energy: -129.812 tors. eta vs tors. theta energy: -226.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2071.837946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.837946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.837946 (E_RNA) where: Base-Base interactions energy: -1253.630 where: short stacking energy: -765.336 Base-Backbone interact. energy: 2.164 local terms energy: -820.372199 where: bonds (distance) C4'-P energy: -168.128 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -182.720 flat angles P-C4'-P energy: -117.378 tors. eta vs tors. theta energy: -184.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1851.703633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.703633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.703633 (E_RNA) where: Base-Base interactions energy: -1108.504 where: short stacking energy: -686.912 Base-Backbone interact. energy: -0.804 local terms energy: -742.395694 where: bonds (distance) C4'-P energy: -149.750 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -175.417 flat angles P-C4'-P energy: -118.015 tors. eta vs tors. theta energy: -132.584 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: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1646.274250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.274250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.274250 (E_RNA) where: Base-Base interactions energy: -940.842 where: short stacking energy: -600.802 Base-Backbone interact. energy: 1.494 local terms energy: -706.926141 where: bonds (distance) C4'-P energy: -148.808 bonds (distance) P-C4' energy: -167.409 flat angles C4'-P-C4' energy: -177.148 flat angles P-C4'-P energy: -98.100 tors. eta vs tors. theta energy: -115.460 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: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1287.234171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.234171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.234171 (E_RNA) where: Base-Base interactions energy: -683.137 where: short stacking energy: -479.511 Base-Backbone interact. energy: -1.218 local terms energy: -602.879260 where: bonds (distance) C4'-P energy: -143.392 bonds (distance) P-C4' energy: -158.279 flat angles C4'-P-C4' energy: -134.907 flat angles P-C4'-P energy: -96.850 tors. eta vs tors. theta energy: -69.450 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: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1036.134943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.134943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.134943 (E_RNA) where: Base-Base interactions energy: -473.982 where: short stacking energy: -425.689 Base-Backbone interact. energy: 4.537 local terms energy: -566.690005 where: bonds (distance) C4'-P energy: -131.736 bonds (distance) P-C4' energy: -151.978 flat angles C4'-P-C4' energy: -149.667 flat angles P-C4'-P energy: -89.079 tors. eta vs tors. theta energy: -44.229 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: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -995.967793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.967793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.967793 (E_RNA) where: Base-Base interactions energy: -454.037 where: short stacking energy: -373.977 Base-Backbone interact. energy: -1.115 local terms energy: -540.816325 where: bonds (distance) C4'-P energy: -140.508 bonds (distance) P-C4' energy: -149.606 flat angles C4'-P-C4' energy: -153.749 flat angles P-C4'-P energy: -82.067 tors. eta vs tors. theta energy: -14.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -857.058731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.058731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.058731 (E_RNA) where: Base-Base interactions energy: -334.850 where: short stacking energy: -283.554 Base-Backbone interact. energy: -2.545 local terms energy: -519.663880 where: bonds (distance) C4'-P energy: -141.651 bonds (distance) P-C4' energy: -147.812 flat angles C4'-P-C4' energy: -119.415 flat angles P-C4'-P energy: -104.869 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -789.816036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.816036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.816036 (E_RNA) where: Base-Base interactions energy: -324.636 where: short stacking energy: -265.177 Base-Backbone interact. energy: -2.940 local terms energy: -462.240350 where: bonds (distance) C4'-P energy: -138.713 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -142.928 flat angles P-C4'-P energy: -45.000 tors. eta vs tors. theta energy: 25.004 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: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2548.716815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.716815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.716815 (E_RNA) where: Base-Base interactions energy: -1592.368 where: short stacking energy: -941.211 Base-Backbone interact. energy: -2.138 local terms energy: -954.211442 where: bonds (distance) C4'-P energy: -189.011 bonds (distance) P-C4' energy: -191.027 flat angles C4'-P-C4' energy: -216.702 flat angles P-C4'-P energy: -126.417 tors. eta vs tors. theta energy: -231.056 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: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2381.320805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.320805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.320805 (E_RNA) where: Base-Base interactions energy: -1481.263 where: short stacking energy: -901.627 Base-Backbone interact. energy: -2.844 local terms energy: -897.214159 where: bonds (distance) C4'-P energy: -192.336 bonds (distance) P-C4' energy: -166.573 flat angles C4'-P-C4' energy: -193.136 flat angles P-C4'-P energy: -131.570 tors. eta vs tors. theta energy: -213.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2137.840726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.840726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.840726 (E_RNA) where: Base-Base interactions energy: -1271.372 where: short stacking energy: -792.541 Base-Backbone interact. energy: -2.610 local terms energy: -863.859090 where: bonds (distance) C4'-P energy: -167.137 bonds (distance) P-C4' energy: -180.848 flat angles C4'-P-C4' energy: -198.988 flat angles P-C4'-P energy: -126.699 tors. eta vs tors. theta energy: -190.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1847.606783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.606783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.606783 (E_RNA) where: Base-Base interactions energy: -1075.316 where: short stacking energy: -736.904 Base-Backbone interact. energy: -0.594 local terms energy: -771.696495 where: bonds (distance) C4'-P energy: -148.431 bonds (distance) P-C4' energy: -186.824 flat angles C4'-P-C4' energy: -175.193 flat angles P-C4'-P energy: -106.390 tors. eta vs tors. theta energy: -154.860 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: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1659.134808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.134808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.134808 (E_RNA) where: Base-Base interactions energy: -913.240 where: short stacking energy: -584.026 Base-Backbone interact. energy: -1.829 local terms energy: -744.065852 where: bonds (distance) C4'-P energy: -162.845 bonds (distance) P-C4' energy: -178.295 flat angles C4'-P-C4' energy: -167.514 flat angles P-C4'-P energy: -106.820 tors. eta vs tors. theta energy: -128.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1296.811549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.811549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.811549 (E_RNA) where: Base-Base interactions energy: -677.691 where: short stacking energy: -515.584 Base-Backbone interact. energy: -2.092 local terms energy: -617.028312 where: bonds (distance) C4'-P energy: -126.856 bonds (distance) P-C4' energy: -179.640 flat angles C4'-P-C4' energy: -149.886 flat angles P-C4'-P energy: -93.807 tors. eta vs tors. theta energy: -66.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1106.962028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.962028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.962028 (E_RNA) where: Base-Base interactions energy: -501.768 where: short stacking energy: -411.241 Base-Backbone interact. energy: -3.513 local terms energy: -601.681300 where: bonds (distance) C4'-P energy: -155.647 bonds (distance) P-C4' energy: -164.949 flat angles C4'-P-C4' energy: -155.755 flat angles P-C4'-P energy: -91.250 tors. eta vs tors. theta energy: -34.081 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: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -971.125511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.125511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.125511 (E_RNA) where: Base-Base interactions energy: -477.414 where: short stacking energy: -371.935 Base-Backbone interact. energy: 0.088 local terms energy: -493.799772 where: bonds (distance) C4'-P energy: -133.307 bonds (distance) P-C4' energy: -144.916 flat angles C4'-P-C4' energy: -131.441 flat angles P-C4'-P energy: -78.340 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -815.403144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.403144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.403144 (E_RNA) where: Base-Base interactions energy: -324.064 where: short stacking energy: -277.650 Base-Backbone interact. energy: -2.209 local terms energy: -489.130253 where: bonds (distance) C4'-P energy: -164.125 bonds (distance) P-C4' energy: -151.692 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -71.359 tors. eta vs tors. theta energy: 43.848 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: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -754.824486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.824486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.824486 (E_RNA) where: Base-Base interactions energy: -280.218 where: short stacking energy: -234.156 Base-Backbone interact. energy: 0.113 local terms energy: -474.718959 where: bonds (distance) C4'-P energy: -157.064 bonds (distance) P-C4' energy: -157.990 flat angles C4'-P-C4' energy: -114.934 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: 37.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2549.384576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.384576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.384576 (E_RNA) where: Base-Base interactions energy: -1599.698 where: short stacking energy: -944.060 Base-Backbone interact. energy: -5.020 local terms energy: -944.666684 where: bonds (distance) C4'-P energy: -169.937 bonds (distance) P-C4' energy: -191.079 flat angles C4'-P-C4' energy: -210.132 flat angles P-C4'-P energy: -145.067 tors. eta vs tors. theta energy: -228.451 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2487.591713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.591713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.591713 (E_RNA) where: Base-Base interactions energy: -1569.218 where: short stacking energy: -952.121 Base-Backbone interact. energy: -1.411 local terms energy: -916.962474 where: bonds (distance) C4'-P energy: -174.771 bonds (distance) P-C4' energy: -172.369 flat angles C4'-P-C4' energy: -192.232 flat angles P-C4'-P energy: -131.502 tors. eta vs tors. theta energy: -246.087 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: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2157.529128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.529128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.529128 (E_RNA) where: Base-Base interactions energy: -1306.446 where: short stacking energy: -818.123 Base-Backbone interact. energy: -1.094 local terms energy: -849.989299 where: bonds (distance) C4'-P energy: -166.881 bonds (distance) P-C4' energy: -187.888 flat angles C4'-P-C4' energy: -173.401 flat angles P-C4'-P energy: -118.789 tors. eta vs tors. theta energy: -203.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1889.009985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.009985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.009985 (E_RNA) where: Base-Base interactions energy: -1085.740 where: short stacking energy: -724.738 Base-Backbone interact. energy: 0.766 local terms energy: -804.035494 where: bonds (distance) C4'-P energy: -182.884 bonds (distance) P-C4' energy: -165.581 flat angles C4'-P-C4' energy: -183.142 flat angles P-C4'-P energy: -117.554 tors. eta vs tors. theta energy: -154.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1614.814295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.814295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.814295 (E_RNA) where: Base-Base interactions energy: -941.539 where: short stacking energy: -590.810 Base-Backbone interact. energy: 1.533 local terms energy: -674.807540 where: bonds (distance) C4'-P energy: -157.595 bonds (distance) P-C4' energy: -164.701 flat angles C4'-P-C4' energy: -145.628 flat angles P-C4'-P energy: -104.493 tors. eta vs tors. theta energy: -102.390 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: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1310.730399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.730399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.730399 (E_RNA) where: Base-Base interactions energy: -704.673 where: short stacking energy: -500.524 Base-Backbone interact. energy: 3.119 local terms energy: -609.176548 where: bonds (distance) C4'-P energy: -137.498 bonds (distance) P-C4' energy: -167.911 flat angles C4'-P-C4' energy: -158.390 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -69.858 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: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1098.606396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.606396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.606396 (E_RNA) where: Base-Base interactions energy: -511.156 where: short stacking energy: -395.933 Base-Backbone interact. energy: -0.050 local terms energy: -587.400105 where: bonds (distance) C4'-P energy: -144.833 bonds (distance) P-C4' energy: -162.168 flat angles C4'-P-C4' energy: -162.610 flat angles P-C4'-P energy: -101.415 tors. eta vs tors. theta energy: -16.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -944.810546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.810546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.810546 (E_RNA) where: Base-Base interactions energy: -408.402 where: short stacking energy: -328.403 Base-Backbone interact. energy: -0.512 local terms energy: -535.897182 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -163.143 flat angles C4'-P-C4' energy: -152.946 flat angles P-C4'-P energy: -71.817 tors. eta vs tors. theta energy: -7.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -851.004287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.004287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.004287 (E_RNA) where: Base-Base interactions energy: -362.754 where: short stacking energy: -310.264 Base-Backbone interact. energy: 3.365 local terms energy: -491.615423 where: bonds (distance) C4'-P energy: -139.007 bonds (distance) P-C4' energy: -168.105 flat angles C4'-P-C4' energy: -120.497 flat angles P-C4'-P energy: -63.711 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -780.954721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.954721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.954721 (E_RNA) where: Base-Base interactions energy: -296.713 where: short stacking energy: -272.584 Base-Backbone interact. energy: -0.583 local terms energy: -483.658627 where: bonds (distance) C4'-P energy: -133.963 bonds (distance) P-C4' energy: -145.091 flat angles C4'-P-C4' energy: -144.012 flat angles P-C4'-P energy: -68.884 tors. eta vs tors. theta energy: 8.292 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: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2527.893296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.893296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.893296 (E_RNA) where: Base-Base interactions energy: -1606.616 where: short stacking energy: -945.960 Base-Backbone interact. energy: -2.816 local terms energy: -918.460934 where: bonds (distance) C4'-P energy: -188.299 bonds (distance) P-C4' energy: -176.621 flat angles C4'-P-C4' energy: -198.001 flat angles P-C4'-P energy: -143.057 tors. eta vs tors. theta energy: -212.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2438.280586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.280586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.280586 (E_RNA) where: Base-Base interactions energy: -1542.252 where: short stacking energy: -930.182 Base-Backbone interact. energy: -0.527 local terms energy: -895.500702 where: bonds (distance) C4'-P energy: -160.890 bonds (distance) P-C4' energy: -176.894 flat angles C4'-P-C4' energy: -198.960 flat angles P-C4'-P energy: -123.701 tors. eta vs tors. theta energy: -235.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2129.057124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.057124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.057124 (E_RNA) where: Base-Base interactions energy: -1289.244 where: short stacking energy: -806.114 Base-Backbone interact. energy: -2.367 local terms energy: -837.446185 where: bonds (distance) C4'-P energy: -181.280 bonds (distance) P-C4' energy: -153.605 flat angles C4'-P-C4' energy: -182.972 flat angles P-C4'-P energy: -125.639 tors. eta vs tors. theta energy: -193.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1833.520983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.520983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.520983 (E_RNA) where: Base-Base interactions energy: -1062.888 where: short stacking energy: -660.431 Base-Backbone interact. energy: -4.193 local terms energy: -766.439877 where: bonds (distance) C4'-P energy: -169.314 bonds (distance) P-C4' energy: -172.221 flat angles C4'-P-C4' energy: -178.740 flat angles P-C4'-P energy: -119.968 tors. eta vs tors. theta energy: -126.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1549.784203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.784203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.784203 (E_RNA) where: Base-Base interactions energy: -879.685 where: short stacking energy: -597.212 Base-Backbone interact. energy: 0.146 local terms energy: -670.245267 where: bonds (distance) C4'-P energy: -169.768 bonds (distance) P-C4' energy: -157.765 flat angles C4'-P-C4' energy: -163.084 flat angles P-C4'-P energy: -104.069 tors. eta vs tors. theta energy: -75.560 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: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1263.631876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.631876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.631876 (E_RNA) where: Base-Base interactions energy: -648.840 where: short stacking energy: -480.509 Base-Backbone interact. energy: 10.969 local terms energy: -625.760180 where: bonds (distance) C4'-P energy: -153.977 bonds (distance) P-C4' energy: -167.014 flat angles C4'-P-C4' energy: -153.010 flat angles P-C4'-P energy: -104.137 tors. eta vs tors. theta energy: -47.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1129.317580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.317580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.317580 (E_RNA) where: Base-Base interactions energy: -543.627 where: short stacking energy: -455.029 Base-Backbone interact. energy: 3.176 local terms energy: -588.866326 where: bonds (distance) C4'-P energy: -160.622 bonds (distance) P-C4' energy: -166.800 flat angles C4'-P-C4' energy: -139.302 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: -44.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1024.324342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.324342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.324342 (E_RNA) where: Base-Base interactions energy: -489.408 where: short stacking energy: -416.865 Base-Backbone interact. energy: -2.641 local terms energy: -532.274623 where: bonds (distance) C4'-P energy: -136.717 bonds (distance) P-C4' energy: -156.423 flat angles C4'-P-C4' energy: -134.048 flat angles P-C4'-P energy: -66.216 tors. eta vs tors. theta energy: -38.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -794.095023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.095023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.095023 (E_RNA) where: Base-Base interactions energy: -324.462 where: short stacking energy: -301.457 Base-Backbone interact. energy: 0.518 local terms energy: -470.150624 where: bonds (distance) C4'-P energy: -138.501 bonds (distance) P-C4' energy: -136.172 flat angles C4'-P-C4' energy: -128.093 flat angles P-C4'-P energy: -77.054 tors. eta vs tors. theta energy: 9.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -739.515908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.515908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.515908 (E_RNA) where: Base-Base interactions energy: -275.600 where: short stacking energy: -258.166 Base-Backbone interact. energy: 5.475 local terms energy: -469.390764 where: bonds (distance) C4'-P energy: -144.879 bonds (distance) P-C4' energy: -154.704 flat angles C4'-P-C4' energy: -114.700 flat angles P-C4'-P energy: -91.063 tors. eta vs tors. theta energy: 35.956 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: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2520.254960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.254960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.254960 (E_RNA) where: Base-Base interactions energy: -1577.270 where: short stacking energy: -913.390 Base-Backbone interact. energy: -3.192 local terms energy: -939.792696 where: bonds (distance) C4'-P energy: -175.285 bonds (distance) P-C4' energy: -194.726 flat angles C4'-P-C4' energy: -192.373 flat angles P-C4'-P energy: -138.555 tors. eta vs tors. theta energy: -238.854 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: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2417.604504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.604504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.604504 (E_RNA) where: Base-Base interactions energy: -1528.567 where: short stacking energy: -894.230 Base-Backbone interact. energy: 5.375 local terms energy: -894.412071 where: bonds (distance) C4'-P energy: -170.108 bonds (distance) P-C4' energy: -167.215 flat angles C4'-P-C4' energy: -203.165 flat angles P-C4'-P energy: -121.450 tors. eta vs tors. theta energy: -232.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2200.110562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.110562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.110562 (E_RNA) where: Base-Base interactions energy: -1311.189 where: short stacking energy: -817.443 Base-Backbone interact. energy: -1.497 local terms energy: -887.424401 where: bonds (distance) C4'-P energy: -186.512 bonds (distance) P-C4' energy: -173.873 flat angles C4'-P-C4' energy: -205.786 flat angles P-C4'-P energy: -127.570 tors. eta vs tors. theta energy: -193.683 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: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1909.446497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.446497 (E_RNA) where: Base-Base interactions energy: -1126.653 where: short stacking energy: -705.787 Base-Backbone interact. energy: -1.410 local terms energy: -781.383974 where: bonds (distance) C4'-P energy: -147.186 bonds (distance) P-C4' energy: -172.482 flat angles C4'-P-C4' energy: -187.217 flat angles P-C4'-P energy: -120.587 tors. eta vs tors. theta energy: -153.913 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: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1637.177974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.177974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.177974 (E_RNA) where: Base-Base interactions energy: -919.312 where: short stacking energy: -596.701 Base-Backbone interact. energy: -3.710 local terms energy: -714.155306 where: bonds (distance) C4'-P energy: -152.000 bonds (distance) P-C4' energy: -181.980 flat angles C4'-P-C4' energy: -178.790 flat angles P-C4'-P energy: -112.007 tors. eta vs tors. theta energy: -89.379 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: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1306.781916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.781916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.781916 (E_RNA) where: Base-Base interactions energy: -658.334 where: short stacking energy: -459.628 Base-Backbone interact. energy: -3.502 local terms energy: -644.945712 where: bonds (distance) C4'-P energy: -160.507 bonds (distance) P-C4' energy: -168.069 flat angles C4'-P-C4' energy: -156.395 flat angles P-C4'-P energy: -95.950 tors. eta vs tors. theta energy: -64.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1099.907916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.907916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.907916 (E_RNA) where: Base-Base interactions energy: -523.861 where: short stacking energy: -432.419 Base-Backbone interact. energy: 1.748 local terms energy: -577.794684 where: bonds (distance) C4'-P energy: -136.869 bonds (distance) P-C4' energy: -163.004 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -93.869 tors. eta vs tors. theta energy: -37.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1010.723243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.723243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.723243 (E_RNA) where: Base-Base interactions energy: -440.636 where: short stacking energy: -356.354 Base-Backbone interact. energy: -2.745 local terms energy: -567.342644 where: bonds (distance) C4'-P energy: -155.788 bonds (distance) P-C4' energy: -154.605 flat angles C4'-P-C4' energy: -130.990 flat angles P-C4'-P energy: -99.574 tors. eta vs tors. theta energy: -26.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -832.356207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.356207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.356207 (E_RNA) where: Base-Base interactions energy: -327.943 where: short stacking energy: -293.013 Base-Backbone interact. energy: -5.724 local terms energy: -498.690138 where: bonds (distance) C4'-P energy: -142.404 bonds (distance) P-C4' energy: -145.861 flat angles C4'-P-C4' energy: -121.639 flat angles P-C4'-P energy: -101.350 tors. eta vs tors. theta energy: 12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -739.297484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.297484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.297484 (E_RNA) where: Base-Base interactions energy: -312.900 where: short stacking energy: -279.712 Base-Backbone interact. energy: 9.532 local terms energy: -435.929365 where: bonds (distance) C4'-P energy: -149.771 bonds (distance) P-C4' energy: -141.562 flat angles C4'-P-C4' energy: -112.708 flat angles P-C4'-P energy: -50.607 tors. eta vs tors. theta energy: 18.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2514.559107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.559107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.559107 (E_RNA) where: Base-Base interactions energy: -1563.038 where: short stacking energy: -953.867 Base-Backbone interact. energy: -5.839 local terms energy: -945.682379 where: bonds (distance) C4'-P energy: -190.046 bonds (distance) P-C4' energy: -174.169 flat angles C4'-P-C4' energy: -207.089 flat angles P-C4'-P energy: -143.112 tors. eta vs tors. theta energy: -231.267 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2375.477508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.477508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.477508 (E_RNA) where: Base-Base interactions energy: -1460.564 where: short stacking energy: -849.287 Base-Backbone interact. energy: -3.836 local terms energy: -911.077592 where: bonds (distance) C4'-P energy: -188.770 bonds (distance) P-C4' energy: -180.492 flat angles C4'-P-C4' energy: -197.720 flat angles P-C4'-P energy: -135.170 tors. eta vs tors. theta energy: -208.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2198.139521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.139521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.139521 (E_RNA) where: Base-Base interactions energy: -1312.054 where: short stacking energy: -847.701 Base-Backbone interact. energy: -2.743 local terms energy: -883.342406 where: bonds (distance) C4'-P energy: -182.472 bonds (distance) P-C4' energy: -176.249 flat angles C4'-P-C4' energy: -201.155 flat angles P-C4'-P energy: -110.073 tors. eta vs tors. theta energy: -213.393 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: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1914.354934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.354934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.354934 (E_RNA) where: Base-Base interactions energy: -1145.294 where: short stacking energy: -692.519 Base-Backbone interact. energy: -3.255 local terms energy: -765.806578 where: bonds (distance) C4'-P energy: -155.478 bonds (distance) P-C4' energy: -171.144 flat angles C4'-P-C4' energy: -175.045 flat angles P-C4'-P energy: -109.045 tors. eta vs tors. theta energy: -155.094 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: 350 Temperature: 1.100000 Total energy: -1634.909359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.909359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.909359 (E_RNA) where: Base-Base interactions energy: -966.878 where: short stacking energy: -630.254 Base-Backbone interact. energy: 2.339 local terms energy: -670.369984 where: bonds (distance) C4'-P energy: -131.388 bonds (distance) P-C4' energy: -170.912 flat angles C4'-P-C4' energy: -161.939 flat angles P-C4'-P energy: -98.343 tors. eta vs tors. theta energy: -107.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1253.745029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.745029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.745029 (E_RNA) where: Base-Base interactions energy: -663.254 where: short stacking energy: -511.750 Base-Backbone interact. energy: 1.279 local terms energy: -591.769855 where: bonds (distance) C4'-P energy: -151.410 bonds (distance) P-C4' energy: -158.930 flat angles C4'-P-C4' energy: -140.598 flat angles P-C4'-P energy: -87.348 tors. eta vs tors. theta energy: -53.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1100.691880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.691880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.691880 (E_RNA) where: Base-Base interactions energy: -505.601 where: short stacking energy: -403.792 Base-Backbone interact. energy: 2.345 local terms energy: -597.435704 where: bonds (distance) C4'-P energy: -161.728 bonds (distance) P-C4' energy: -172.134 flat angles C4'-P-C4' energy: -142.187 flat angles P-C4'-P energy: -88.946 tors. eta vs tors. theta energy: -32.441 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1024.299531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.299531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.299531 (E_RNA) where: Base-Base interactions energy: -450.130 where: short stacking energy: -387.010 Base-Backbone interact. energy: -0.906 local terms energy: -573.263494 where: bonds (distance) C4'-P energy: -134.154 bonds (distance) P-C4' energy: -178.750 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -102.972 tors. eta vs tors. theta energy: -27.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -830.297690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.297690 (E_RNA) where: Base-Base interactions energy: -328.505 where: short stacking energy: -289.979 Base-Backbone interact. energy: 9.352 local terms energy: -511.143995 where: bonds (distance) C4'-P energy: -150.804 bonds (distance) P-C4' energy: -141.291 flat angles C4'-P-C4' energy: -147.230 flat angles P-C4'-P energy: -94.850 tors. eta vs tors. theta energy: 23.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -750.520914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.520914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.520914 (E_RNA) where: Base-Base interactions energy: -316.502 where: short stacking energy: -296.718 Base-Backbone interact. energy: 1.217 local terms energy: -435.236250 where: bonds (distance) C4'-P energy: -131.848 bonds (distance) P-C4' energy: -140.961 flat angles C4'-P-C4' energy: -119.822 flat angles P-C4'-P energy: -55.544 tors. eta vs tors. theta energy: 12.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2505.402822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.402822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.402822 (E_RNA) where: Base-Base interactions energy: -1564.282 where: short stacking energy: -909.988 Base-Backbone interact. energy: -4.049 local terms energy: -937.071875 where: bonds (distance) C4'-P energy: -168.649 bonds (distance) P-C4' energy: -179.898 flat angles C4'-P-C4' energy: -219.619 flat angles P-C4'-P energy: -141.854 tors. eta vs tors. theta energy: -227.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2399.945104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.945104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.945104 (E_RNA) where: Base-Base interactions energy: -1543.418 where: short stacking energy: -914.833 Base-Backbone interact. energy: -5.641 local terms energy: -850.885713 where: bonds (distance) C4'-P energy: -147.348 bonds (distance) P-C4' energy: -163.462 flat angles C4'-P-C4' energy: -192.305 flat angles P-C4'-P energy: -126.515 tors. eta vs tors. theta energy: -221.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2189.308490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.308490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.308490 (E_RNA) where: Base-Base interactions energy: -1363.036 where: short stacking energy: -845.573 Base-Backbone interact. energy: -1.229 local terms energy: -825.044216 where: bonds (distance) C4'-P energy: -159.868 bonds (distance) P-C4' energy: -167.248 flat angles C4'-P-C4' energy: -192.880 flat angles P-C4'-P energy: -109.105 tors. eta vs tors. theta energy: -195.943 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: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1965.131751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.131751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.131751 (E_RNA) where: Base-Base interactions energy: -1184.898 where: short stacking energy: -700.967 Base-Backbone interact. energy: -5.531 local terms energy: -774.702686 where: bonds (distance) C4'-P energy: -164.378 bonds (distance) P-C4' energy: -159.305 flat angles C4'-P-C4' energy: -184.570 flat angles P-C4'-P energy: -110.296 tors. eta vs tors. theta energy: -156.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1679.101496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.101496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.101496 (E_RNA) where: Base-Base interactions energy: -986.928 where: short stacking energy: -600.118 Base-Backbone interact. energy: -2.295 local terms energy: -689.878239 where: bonds (distance) C4'-P energy: -148.891 bonds (distance) P-C4' energy: -167.821 flat angles C4'-P-C4' energy: -174.617 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -116.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1244.453304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.453304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.453304 (E_RNA) where: Base-Base interactions energy: -618.866 where: short stacking energy: -451.758 Base-Backbone interact. energy: 5.211 local terms energy: -630.798267 where: bonds (distance) C4'-P energy: -175.634 bonds (distance) P-C4' energy: -173.839 flat angles C4'-P-C4' energy: -148.464 flat angles P-C4'-P energy: -95.381 tors. eta vs tors. theta energy: -37.479 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: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1166.346212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.346212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.346212 (E_RNA) where: Base-Base interactions energy: -558.519 where: short stacking energy: -411.492 Base-Backbone interact. energy: -3.141 local terms energy: -604.686134 where: bonds (distance) C4'-P energy: -130.586 bonds (distance) P-C4' energy: -169.030 flat angles C4'-P-C4' energy: -175.767 flat angles P-C4'-P energy: -95.407 tors. eta vs tors. theta energy: -33.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -909.190720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.190720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.190720 (E_RNA) where: Base-Base interactions energy: -404.658 where: short stacking energy: -345.374 Base-Backbone interact. energy: 3.246 local terms energy: -507.779003 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -156.575 flat angles C4'-P-C4' energy: -142.703 flat angles P-C4'-P energy: -67.441 tors. eta vs tors. theta energy: 4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -808.455423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.455423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.455423 (E_RNA) where: Base-Base interactions energy: -320.355 where: short stacking energy: -298.899 Base-Backbone interact. energy: -2.544 local terms energy: -485.556836 where: bonds (distance) C4'-P energy: -160.403 bonds (distance) P-C4' energy: -140.374 flat angles C4'-P-C4' energy: -129.920 flat angles P-C4'-P energy: -65.714 tors. eta vs tors. theta energy: 10.854 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: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -760.943171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.943171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.943171 (E_RNA) where: Base-Base interactions energy: -320.603 where: short stacking energy: -292.948 Base-Backbone interact. energy: 2.549 local terms energy: -442.889018 where: bonds (distance) C4'-P energy: -129.816 bonds (distance) P-C4' energy: -133.575 flat angles C4'-P-C4' energy: -95.366 flat angles P-C4'-P energy: -95.971 tors. eta vs tors. theta energy: 11.838 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: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2511.031817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.031817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.031817 (E_RNA) where: Base-Base interactions energy: -1554.979 where: short stacking energy: -924.374 Base-Backbone interact. energy: 0.911 local terms energy: -956.963205 where: bonds (distance) C4'-P energy: -188.361 bonds (distance) P-C4' energy: -182.949 flat angles C4'-P-C4' energy: -211.830 flat angles P-C4'-P energy: -139.185 tors. eta vs tors. theta energy: -234.639 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: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2400.633758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.633758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.633758 (E_RNA) where: Base-Base interactions energy: -1492.334 where: short stacking energy: -879.436 Base-Backbone interact. energy: -3.213 local terms energy: -905.086588 where: bonds (distance) C4'-P energy: -174.291 bonds (distance) P-C4' energy: -187.225 flat angles C4'-P-C4' energy: -209.548 flat angles P-C4'-P energy: -126.523 tors. eta vs tors. theta energy: -207.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2190.600869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.600869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.600869 (E_RNA) where: Base-Base interactions energy: -1313.926 where: short stacking energy: -833.387 Base-Backbone interact. energy: -2.336 local terms energy: -874.338302 where: bonds (distance) C4'-P energy: -182.041 bonds (distance) P-C4' energy: -173.481 flat angles C4'-P-C4' energy: -181.600 flat angles P-C4'-P energy: -128.766 tors. eta vs tors. theta energy: -208.451 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: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1912.808690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.808690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.808690 (E_RNA) where: Base-Base interactions energy: -1128.398 where: short stacking energy: -695.879 Base-Backbone interact. energy: -4.054 local terms energy: -780.356901 where: bonds (distance) C4'-P energy: -153.733 bonds (distance) P-C4' energy: -185.736 flat angles C4'-P-C4' energy: -169.012 flat angles P-C4'-P energy: -113.378 tors. eta vs tors. theta energy: -158.498 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: 352 Temperature: 1.100000 Total energy: -1627.739460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.739460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.739460 (E_RNA) where: Base-Base interactions energy: -944.349 where: short stacking energy: -621.683 Base-Backbone interact. energy: -0.002 local terms energy: -683.387500 where: bonds (distance) C4'-P energy: -154.509 bonds (distance) P-C4' energy: -155.323 flat angles C4'-P-C4' energy: -162.311 flat angles P-C4'-P energy: -98.240 tors. eta vs tors. theta energy: -113.004 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: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1249.653644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.653644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.653644 (E_RNA) where: Base-Base interactions energy: -651.782 where: short stacking energy: -485.460 Base-Backbone interact. energy: -1.408 local terms energy: -596.463170 where: bonds (distance) C4'-P energy: -137.673 bonds (distance) P-C4' energy: -166.088 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -102.804 tors. eta vs tors. theta energy: -47.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1140.175824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.175824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.175824 (E_RNA) where: Base-Base interactions energy: -542.389 where: short stacking energy: -428.671 Base-Backbone interact. energy: -2.143 local terms energy: -595.642951 where: bonds (distance) C4'-P energy: -151.521 bonds (distance) P-C4' energy: -171.991 flat angles C4'-P-C4' energy: -152.383 flat angles P-C4'-P energy: -86.761 tors. eta vs tors. theta energy: -32.987 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: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -864.781285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.781285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.781285 (E_RNA) where: Base-Base interactions energy: -336.345 where: short stacking energy: -289.201 Base-Backbone interact. energy: 1.002 local terms energy: -529.437788 where: bonds (distance) C4'-P energy: -166.780 bonds (distance) P-C4' energy: -148.314 flat angles C4'-P-C4' energy: -141.240 flat angles P-C4'-P energy: -74.540 tors. eta vs tors. theta energy: 1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -823.482944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.482944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.482944 (E_RNA) where: Base-Base interactions energy: -331.061 where: short stacking energy: -296.102 Base-Backbone interact. energy: -0.304 local terms energy: -492.118040 where: bonds (distance) C4'-P energy: -148.767 bonds (distance) P-C4' energy: -149.283 flat angles C4'-P-C4' energy: -128.048 flat angles P-C4'-P energy: -84.625 tors. eta vs tors. theta energy: 18.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -762.091190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.091190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.091190 (E_RNA) where: Base-Base interactions energy: -311.101 where: short stacking energy: -287.108 Base-Backbone interact. energy: 0.261 local terms energy: -451.251411 where: bonds (distance) C4'-P energy: -120.693 bonds (distance) P-C4' energy: -149.381 flat angles C4'-P-C4' energy: -125.110 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: 10.234 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: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2541.437495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.437495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.437495 (E_RNA) where: Base-Base interactions energy: -1607.342 where: short stacking energy: -956.712 Base-Backbone interact. energy: -1.730 local terms energy: -932.365001 where: bonds (distance) C4'-P energy: -179.672 bonds (distance) P-C4' energy: -184.114 flat angles C4'-P-C4' energy: -198.735 flat angles P-C4'-P energy: -126.131 tors. eta vs tors. theta energy: -243.713 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2460.911227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.911227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.911227 (E_RNA) where: Base-Base interactions energy: -1520.981 where: short stacking energy: -917.829 Base-Backbone interact. energy: -5.384 local terms energy: -934.546535 where: bonds (distance) C4'-P energy: -182.204 bonds (distance) P-C4' energy: -184.948 flat angles C4'-P-C4' energy: -195.447 flat angles P-C4'-P energy: -132.792 tors. eta vs tors. theta energy: -239.155 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: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2215.092578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.092578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.092578 (E_RNA) where: Base-Base interactions energy: -1368.218 where: short stacking energy: -876.560 Base-Backbone interact. energy: 3.231 local terms energy: -850.105725 where: bonds (distance) C4'-P energy: -179.230 bonds (distance) P-C4' energy: -156.131 flat angles C4'-P-C4' energy: -191.746 flat angles P-C4'-P energy: -115.182 tors. eta vs tors. theta energy: -207.816 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: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1888.700743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.700743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.700743 (E_RNA) where: Base-Base interactions energy: -1172.522 where: short stacking energy: -704.333 Base-Backbone interact. energy: -3.231 local terms energy: -712.947842 where: bonds (distance) C4'-P energy: -141.223 bonds (distance) P-C4' energy: -169.406 flat angles C4'-P-C4' energy: -168.449 flat angles P-C4'-P energy: -101.695 tors. eta vs tors. theta energy: -132.175 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: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1702.581297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.581297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.581297 (E_RNA) where: Base-Base interactions energy: -993.653 where: short stacking energy: -627.352 Base-Backbone interact. energy: -5.220 local terms energy: -703.708343 where: bonds (distance) C4'-P energy: -143.924 bonds (distance) P-C4' energy: -165.717 flat angles C4'-P-C4' energy: -154.643 flat angles P-C4'-P energy: -117.850 tors. eta vs tors. theta energy: -121.574 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: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1294.214135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.214135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.214135 (E_RNA) where: Base-Base interactions energy: -661.709 where: short stacking energy: -470.998 Base-Backbone interact. energy: -5.867 local terms energy: -626.638222 where: bonds (distance) C4'-P energy: -159.078 bonds (distance) P-C4' energy: -169.258 flat angles C4'-P-C4' energy: -136.313 flat angles P-C4'-P energy: -98.397 tors. eta vs tors. theta energy: -63.594 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: 353 Temperature: 1.200000 Total energy: -1205.015115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.015115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.015115 (E_RNA) where: Base-Base interactions energy: -638.264 where: short stacking energy: -451.144 Base-Backbone interact. energy: 8.583 local terms energy: -575.333792 where: bonds (distance) C4'-P energy: -141.464 bonds (distance) P-C4' energy: -149.381 flat angles C4'-P-C4' energy: -131.952 flat angles P-C4'-P energy: -96.988 tors. eta vs tors. theta energy: -55.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -955.895401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.895401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.895401 (E_RNA) where: Base-Base interactions energy: -411.957 where: short stacking energy: -345.267 Base-Backbone interact. energy: 7.707 local terms energy: -551.645744 where: bonds (distance) C4'-P energy: -120.445 bonds (distance) P-C4' energy: -172.339 flat angles C4'-P-C4' energy: -149.497 flat angles P-C4'-P energy: -84.243 tors. eta vs tors. theta energy: -25.123 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: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -816.335455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.335455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.335455 (E_RNA) where: Base-Base interactions energy: -326.107 where: short stacking energy: -289.325 Base-Backbone interact. energy: 0.706 local terms energy: -490.934128 where: bonds (distance) C4'-P energy: -127.468 bonds (distance) P-C4' energy: -148.282 flat angles C4'-P-C4' energy: -134.734 flat angles P-C4'-P energy: -95.808 tors. eta vs tors. theta energy: 15.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -765.061730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.061730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.061730 (E_RNA) where: Base-Base interactions energy: -286.490 where: short stacking energy: -244.080 Base-Backbone interact. energy: 4.432 local terms energy: -483.003139 where: bonds (distance) C4'-P energy: -135.555 bonds (distance) P-C4' energy: -157.535 flat angles C4'-P-C4' energy: -148.554 flat angles P-C4'-P energy: -65.524 tors. eta vs tors. theta energy: 24.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2536.252781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.252781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.252781 (E_RNA) where: Base-Base interactions energy: -1592.944 where: short stacking energy: -950.733 Base-Backbone interact. energy: -3.645 local terms energy: -939.663487 where: bonds (distance) C4'-P energy: -171.021 bonds (distance) P-C4' energy: -193.776 flat angles C4'-P-C4' energy: -215.878 flat angles P-C4'-P energy: -142.821 tors. eta vs tors. theta energy: -216.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2438.595738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.595738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.595738 (E_RNA) where: Base-Base interactions energy: -1513.038 where: short stacking energy: -888.194 Base-Backbone interact. energy: -4.705 local terms energy: -920.853237 where: bonds (distance) C4'-P energy: -164.480 bonds (distance) P-C4' energy: -180.739 flat angles C4'-P-C4' energy: -206.128 flat angles P-C4'-P energy: -134.909 tors. eta vs tors. theta energy: -234.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2209.993747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.993747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.993747 (E_RNA) where: Base-Base interactions energy: -1322.858 where: short stacking energy: -813.714 Base-Backbone interact. energy: -4.492 local terms energy: -882.643826 where: bonds (distance) C4'-P energy: -178.011 bonds (distance) P-C4' energy: -181.631 flat angles C4'-P-C4' energy: -190.484 flat angles P-C4'-P energy: -134.432 tors. eta vs tors. theta energy: -198.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1894.269932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.269932 (E_RNA) where: Base-Base interactions energy: -1146.516 where: short stacking energy: -722.549 Base-Backbone interact. energy: -6.172 local terms energy: -741.581879 where: bonds (distance) C4'-P energy: -155.375 bonds (distance) P-C4' energy: -171.629 flat angles C4'-P-C4' energy: -165.917 flat angles P-C4'-P energy: -98.146 tors. eta vs tors. theta energy: -150.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1627.088097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.088097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.088097 (E_RNA) where: Base-Base interactions energy: -932.583 where: short stacking energy: -580.864 Base-Backbone interact. energy: -7.928 local terms energy: -686.577525 where: bonds (distance) C4'-P energy: -156.625 bonds (distance) P-C4' energy: -166.575 flat angles C4'-P-C4' energy: -169.882 flat angles P-C4'-P energy: -106.933 tors. eta vs tors. theta energy: -86.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1314.461929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.461929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.461929 (E_RNA) where: Base-Base interactions energy: -679.160 where: short stacking energy: -490.848 Base-Backbone interact. energy: -0.479 local terms energy: -634.823603 where: bonds (distance) C4'-P energy: -158.203 bonds (distance) P-C4' energy: -170.569 flat angles C4'-P-C4' energy: -164.693 flat angles P-C4'-P energy: -93.281 tors. eta vs tors. theta energy: -48.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1138.161106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.161106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.161106 (E_RNA) where: Base-Base interactions energy: -568.883 where: short stacking energy: -377.162 Base-Backbone interact. energy: -0.886 local terms energy: -568.392375 where: bonds (distance) C4'-P energy: -159.978 bonds (distance) P-C4' energy: -149.231 flat angles C4'-P-C4' energy: -140.150 flat angles P-C4'-P energy: -84.901 tors. eta vs tors. theta energy: -34.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -910.846109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.846109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.846109 (E_RNA) where: Base-Base interactions energy: -386.729 where: short stacking energy: -303.922 Base-Backbone interact. energy: 6.714 local terms energy: -530.830380 where: bonds (distance) C4'-P energy: -150.692 bonds (distance) P-C4' energy: -142.166 flat angles C4'-P-C4' energy: -138.124 flat angles P-C4'-P energy: -81.713 tors. eta vs tors. theta energy: -18.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -863.054499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.054499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.054499 (E_RNA) where: Base-Base interactions energy: -369.207 where: short stacking energy: -291.539 Base-Backbone interact. energy: 2.738 local terms energy: -496.584969 where: bonds (distance) C4'-P energy: -148.107 bonds (distance) P-C4' energy: -160.118 flat angles C4'-P-C4' energy: -142.752 flat angles P-C4'-P energy: -57.033 tors. eta vs tors. theta energy: 11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -786.109410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.109410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.109410 (E_RNA) where: Base-Base interactions energy: -323.641 where: short stacking energy: -287.711 Base-Backbone interact. energy: 4.531 local terms energy: -466.999351 where: bonds (distance) C4'-P energy: -130.025 bonds (distance) P-C4' energy: -171.000 flat angles C4'-P-C4' energy: -124.184 flat angles P-C4'-P energy: -54.052 tors. eta vs tors. theta energy: 12.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2565.811821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.811821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.811821 (E_RNA) where: Base-Base interactions energy: -1648.236 where: short stacking energy: -990.278 Base-Backbone interact. energy: -3.686 local terms energy: -913.889923 where: bonds (distance) C4'-P energy: -169.911 bonds (distance) P-C4' energy: -181.081 flat angles C4'-P-C4' energy: -195.539 flat angles P-C4'-P energy: -131.551 tors. eta vs tors. theta energy: -235.808 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: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2395.020060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.020060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.020060 (E_RNA) where: Base-Base interactions energy: -1459.294 where: short stacking energy: -864.063 Base-Backbone interact. energy: -4.697 local terms energy: -931.029487 where: bonds (distance) C4'-P energy: -179.002 bonds (distance) P-C4' energy: -191.534 flat angles C4'-P-C4' energy: -196.187 flat angles P-C4'-P energy: -129.936 tors. eta vs tors. theta energy: -234.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2239.080590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.080590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.080590 (E_RNA) where: Base-Base interactions energy: -1346.933 where: short stacking energy: -846.472 Base-Backbone interact. energy: -3.378 local terms energy: -888.768904 where: bonds (distance) C4'-P energy: -174.234 bonds (distance) P-C4' energy: -173.516 flat angles C4'-P-C4' energy: -202.447 flat angles P-C4'-P energy: -131.052 tors. eta vs tors. theta energy: -207.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1914.482204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.482204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.482204 (E_RNA) where: Base-Base interactions energy: -1132.356 where: short stacking energy: -713.452 Base-Backbone interact. energy: -4.307 local terms energy: -777.819234 where: bonds (distance) C4'-P energy: -153.762 bonds (distance) P-C4' energy: -182.255 flat angles C4'-P-C4' energy: -174.192 flat angles P-C4'-P energy: -113.831 tors. eta vs tors. theta energy: -153.780 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: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1603.242284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.242284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.242284 (E_RNA) where: Base-Base interactions energy: -883.682 where: short stacking energy: -555.765 Base-Backbone interact. energy: -0.004 local terms energy: -719.555865 where: bonds (distance) C4'-P energy: -162.883 bonds (distance) P-C4' energy: -179.879 flat angles C4'-P-C4' energy: -181.788 flat angles P-C4'-P energy: -94.639 tors. eta vs tors. theta energy: -100.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1363.475779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.475779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.475779 (E_RNA) where: Base-Base interactions energy: -688.071 where: short stacking energy: -475.752 Base-Backbone interact. energy: -3.303 local terms energy: -672.102561 where: bonds (distance) C4'-P energy: -148.459 bonds (distance) P-C4' energy: -168.523 flat angles C4'-P-C4' energy: -170.088 flat angles P-C4'-P energy: -102.385 tors. eta vs tors. theta energy: -82.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1197.489811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.489811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.489811 (E_RNA) where: Base-Base interactions energy: -587.751 where: short stacking energy: -438.309 Base-Backbone interact. energy: -3.231 local terms energy: -606.507154 where: bonds (distance) C4'-P energy: -147.177 bonds (distance) P-C4' energy: -169.686 flat angles C4'-P-C4' energy: -142.682 flat angles P-C4'-P energy: -82.378 tors. eta vs tors. theta energy: -64.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -900.535942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.535942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.535942 (E_RNA) where: Base-Base interactions energy: -406.554 where: short stacking energy: -366.572 Base-Backbone interact. energy: 0.876 local terms energy: -494.857767 where: bonds (distance) C4'-P energy: -134.687 bonds (distance) P-C4' energy: -134.217 flat angles C4'-P-C4' energy: -136.511 flat angles P-C4'-P energy: -89.651 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -928.884969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.884969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.884969 (E_RNA) where: Base-Base interactions energy: -417.702 where: short stacking energy: -336.586 Base-Backbone interact. energy: 3.637 local terms energy: -514.819717 where: bonds (distance) C4'-P energy: -157.822 bonds (distance) P-C4' energy: -141.427 flat angles C4'-P-C4' energy: -148.205 flat angles P-C4'-P energy: -57.382 tors. eta vs tors. theta energy: -9.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -815.661960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.661960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.661960 (E_RNA) where: Base-Base interactions energy: -297.277 where: short stacking energy: -256.534 Base-Backbone interact. energy: 2.131 local terms energy: -520.515791 where: bonds (distance) C4'-P energy: -149.201 bonds (distance) P-C4' energy: -152.187 flat angles C4'-P-C4' energy: -125.541 flat angles P-C4'-P energy: -85.666 tors. eta vs tors. theta energy: -7.921 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: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2579.803990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.803990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.803990 (E_RNA) where: Base-Base interactions energy: -1635.011 where: short stacking energy: -963.618 Base-Backbone interact. energy: -1.705 local terms energy: -943.087880 where: bonds (distance) C4'-P energy: -189.398 bonds (distance) P-C4' energy: -186.126 flat angles C4'-P-C4' energy: -199.526 flat angles P-C4'-P energy: -128.351 tors. eta vs tors. theta energy: -239.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2431.656407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.656407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.656407 (E_RNA) where: Base-Base interactions energy: -1497.595 where: short stacking energy: -911.267 Base-Backbone interact. energy: -0.438 local terms energy: -933.623291 where: bonds (distance) C4'-P energy: -182.457 bonds (distance) P-C4' energy: -181.450 flat angles C4'-P-C4' energy: -201.680 flat angles P-C4'-P energy: -133.591 tors. eta vs tors. theta energy: -234.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2222.004615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.004615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.004615 (E_RNA) where: Base-Base interactions energy: -1384.989 where: short stacking energy: -851.829 Base-Backbone interact. energy: 1.843 local terms energy: -838.859299 where: bonds (distance) C4'-P energy: -160.039 bonds (distance) P-C4' energy: -177.817 flat angles C4'-P-C4' energy: -182.252 flat angles P-C4'-P energy: -119.697 tors. eta vs tors. theta energy: -199.054 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: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1909.775801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.775801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.775801 (E_RNA) where: Base-Base interactions energy: -1161.225 where: short stacking energy: -709.532 Base-Backbone interact. energy: -4.172 local terms energy: -744.378943 where: bonds (distance) C4'-P energy: -156.397 bonds (distance) P-C4' energy: -164.667 flat angles C4'-P-C4' energy: -177.351 flat angles P-C4'-P energy: -91.560 tors. eta vs tors. theta energy: -154.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1619.673665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.673665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.673665 (E_RNA) where: Base-Base interactions energy: -911.012 where: short stacking energy: -576.459 Base-Backbone interact. energy: -3.709 local terms energy: -704.953211 where: bonds (distance) C4'-P energy: -161.876 bonds (distance) P-C4' energy: -170.706 flat angles C4'-P-C4' energy: -159.744 flat angles P-C4'-P energy: -110.224 tors. eta vs tors. theta energy: -102.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1302.669760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.669760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.669760 (E_RNA) where: Base-Base interactions energy: -702.315 where: short stacking energy: -494.123 Base-Backbone interact. energy: 5.628 local terms energy: -605.982069 where: bonds (distance) C4'-P energy: -157.507 bonds (distance) P-C4' energy: -147.010 flat angles C4'-P-C4' energy: -151.572 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -59.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1192.042295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.042295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.042295 (E_RNA) where: Base-Base interactions energy: -609.210 where: short stacking energy: -425.339 Base-Backbone interact. energy: 1.731 local terms energy: -584.562799 where: bonds (distance) C4'-P energy: -130.664 bonds (distance) P-C4' energy: -147.847 flat angles C4'-P-C4' energy: -163.502 flat angles P-C4'-P energy: -87.656 tors. eta vs tors. theta energy: -54.895 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: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -915.130988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.130988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.130988 (E_RNA) where: Base-Base interactions energy: -415.083 where: short stacking energy: -367.491 Base-Backbone interact. energy: -2.884 local terms energy: -497.164276 where: bonds (distance) C4'-P energy: -130.691 bonds (distance) P-C4' energy: -148.932 flat angles C4'-P-C4' energy: -136.266 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -9.615 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: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -881.874542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.874542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.874542 (E_RNA) where: Base-Base interactions energy: -375.048 where: short stacking energy: -303.159 Base-Backbone interact. energy: -3.066 local terms energy: -503.760423 where: bonds (distance) C4'-P energy: -138.322 bonds (distance) P-C4' energy: -151.698 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -81.774 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -764.454353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.454353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.454353 (E_RNA) where: Base-Base interactions energy: -322.608 where: short stacking energy: -271.972 Base-Backbone interact. energy: 1.389 local terms energy: -443.235083 where: bonds (distance) C4'-P energy: -111.561 bonds (distance) P-C4' energy: -148.402 flat angles C4'-P-C4' energy: -129.570 flat angles P-C4'-P energy: -58.399 tors. eta vs tors. theta energy: 4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2551.331938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.331938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.331938 (E_RNA) where: Base-Base interactions energy: -1600.243 where: short stacking energy: -932.572 Base-Backbone interact. energy: -6.188 local terms energy: -944.901198 where: bonds (distance) C4'-P energy: -179.540 bonds (distance) P-C4' energy: -180.445 flat angles C4'-P-C4' energy: -207.373 flat angles P-C4'-P energy: -141.031 tors. eta vs tors. theta energy: -236.512 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: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2421.549555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.549555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.549555 (E_RNA) where: Base-Base interactions energy: -1506.830 where: short stacking energy: -917.234 Base-Backbone interact. energy: -6.113 local terms energy: -908.606581 where: bonds (distance) C4'-P energy: -170.399 bonds (distance) P-C4' energy: -183.890 flat angles C4'-P-C4' energy: -208.139 flat angles P-C4'-P energy: -118.955 tors. eta vs tors. theta energy: -227.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2175.306426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.306426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.306426 (E_RNA) where: Base-Base interactions energy: -1302.429 where: short stacking energy: -824.528 Base-Backbone interact. energy: -1.664 local terms energy: -871.213007 where: bonds (distance) C4'-P energy: -164.034 bonds (distance) P-C4' energy: -171.695 flat angles C4'-P-C4' energy: -198.840 flat angles P-C4'-P energy: -131.845 tors. eta vs tors. theta energy: -204.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1895.727138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.727138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.727138 (E_RNA) where: Base-Base interactions energy: -1104.138 where: short stacking energy: -688.041 Base-Backbone interact. energy: 0.927 local terms energy: -792.516050 where: bonds (distance) C4'-P energy: -172.449 bonds (distance) P-C4' energy: -179.001 flat angles C4'-P-C4' energy: -173.003 flat angles P-C4'-P energy: -109.357 tors. eta vs tors. theta energy: -158.706 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: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1617.178112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.178112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.178112 (E_RNA) where: Base-Base interactions energy: -924.651 where: short stacking energy: -569.811 Base-Backbone interact. energy: 1.302 local terms energy: -693.829198 where: bonds (distance) C4'-P energy: -145.882 bonds (distance) P-C4' energy: -164.000 flat angles C4'-P-C4' energy: -171.928 flat angles P-C4'-P energy: -104.733 tors. eta vs tors. theta energy: -107.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1345.137728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.137728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.137728 (E_RNA) where: Base-Base interactions energy: -688.484 where: short stacking energy: -495.058 Base-Backbone interact. energy: -2.213 local terms energy: -654.441216 where: bonds (distance) C4'-P energy: -161.921 bonds (distance) P-C4' energy: -177.808 flat angles C4'-P-C4' energy: -138.597 flat angles P-C4'-P energy: -100.408 tors. eta vs tors. theta energy: -75.707 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: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1246.867843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.867843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.867843 (E_RNA) where: Base-Base interactions energy: -655.490 where: short stacking energy: -445.762 Base-Backbone interact. energy: -5.936 local terms energy: -585.442235 where: bonds (distance) C4'-P energy: -153.145 bonds (distance) P-C4' energy: -158.139 flat angles C4'-P-C4' energy: -138.048 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -38.758 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: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -939.407980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.407980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.407980 (E_RNA) where: Base-Base interactions energy: -367.341 where: short stacking energy: -339.227 Base-Backbone interact. energy: -2.655 local terms energy: -569.412072 where: bonds (distance) C4'-P energy: -156.272 bonds (distance) P-C4' energy: -168.828 flat angles C4'-P-C4' energy: -164.581 flat angles P-C4'-P energy: -69.908 tors. eta vs tors. theta energy: -9.823 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: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -850.525557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.525557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.525557 (E_RNA) where: Base-Base interactions energy: -317.367 where: short stacking energy: -285.390 Base-Backbone interact. energy: -0.145 local terms energy: -533.013737 where: bonds (distance) C4'-P energy: -157.897 bonds (distance) P-C4' energy: -163.464 flat angles C4'-P-C4' energy: -139.901 flat angles P-C4'-P energy: -62.619 tors. eta vs tors. theta energy: -9.132 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: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -776.566951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.566951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.566951 (E_RNA) where: Base-Base interactions energy: -319.567 where: short stacking energy: -273.326 Base-Backbone interact. energy: -0.283 local terms energy: -456.717228 where: bonds (distance) C4'-P energy: -135.201 bonds (distance) P-C4' energy: -138.653 flat angles C4'-P-C4' energy: -126.912 flat angles P-C4'-P energy: -62.757 tors. eta vs tors. theta energy: 6.805 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: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2552.663505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.663505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.663505 (E_RNA) where: Base-Base interactions energy: -1590.518 where: short stacking energy: -930.287 Base-Backbone interact. energy: -4.927 local terms energy: -957.218465 where: bonds (distance) C4'-P energy: -188.036 bonds (distance) P-C4' energy: -183.722 flat angles C4'-P-C4' energy: -206.005 flat angles P-C4'-P energy: -133.785 tors. eta vs tors. theta energy: -245.669 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: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2418.627101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.627101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.627101 (E_RNA) where: Base-Base interactions energy: -1496.810 where: short stacking energy: -886.096 Base-Backbone interact. energy: -1.983 local terms energy: -919.834325 where: bonds (distance) C4'-P energy: -186.696 bonds (distance) P-C4' energy: -182.649 flat angles C4'-P-C4' energy: -192.559 flat angles P-C4'-P energy: -137.024 tors. eta vs tors. theta energy: -220.906 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: 358 Temperature: 1.000000 Total energy: -2142.851493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.851493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.851493 (E_RNA) where: Base-Base interactions energy: -1294.302 where: short stacking energy: -822.654 Base-Backbone interact. energy: -3.453 local terms energy: -845.097130 where: bonds (distance) C4'-P energy: -173.431 bonds (distance) P-C4' energy: -175.699 flat angles C4'-P-C4' energy: -186.934 flat angles P-C4'-P energy: -124.836 tors. eta vs tors. theta energy: -184.197 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: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1910.372862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.372862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.372862 (E_RNA) where: Base-Base interactions energy: -1111.242 where: short stacking energy: -692.775 Base-Backbone interact. energy: 2.232 local terms energy: -801.362703 where: bonds (distance) C4'-P energy: -179.999 bonds (distance) P-C4' energy: -180.968 flat angles C4'-P-C4' energy: -172.546 flat angles P-C4'-P energy: -111.177 tors. eta vs tors. theta energy: -156.674 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: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1734.705294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.705294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.705294 (E_RNA) where: Base-Base interactions energy: -983.096 where: short stacking energy: -647.800 Base-Backbone interact. energy: 2.800 local terms energy: -754.409634 where: bonds (distance) C4'-P energy: -175.787 bonds (distance) P-C4' energy: -167.358 flat angles C4'-P-C4' energy: -171.463 flat angles P-C4'-P energy: -100.458 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: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1346.071331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.071331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.071331 (E_RNA) where: Base-Base interactions energy: -695.425 where: short stacking energy: -504.119 Base-Backbone interact. energy: -1.078 local terms energy: -649.568820 where: bonds (distance) C4'-P energy: -168.860 bonds (distance) P-C4' energy: -169.391 flat angles C4'-P-C4' energy: -151.864 flat angles P-C4'-P energy: -79.961 tors. eta vs tors. theta energy: -79.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1179.378239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.378239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.378239 (E_RNA) where: Base-Base interactions energy: -595.180 where: short stacking energy: -421.562 Base-Backbone interact. energy: -3.865 local terms energy: -580.332937 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -145.124 flat angles C4'-P-C4' energy: -138.380 flat angles P-C4'-P energy: -88.143 tors. eta vs tors. theta energy: -62.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -900.895558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.895558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.895558 (E_RNA) where: Base-Base interactions energy: -375.507 where: short stacking energy: -354.996 Base-Backbone interact. energy: -1.869 local terms energy: -523.519456 where: bonds (distance) C4'-P energy: -135.976 bonds (distance) P-C4' energy: -149.498 flat angles C4'-P-C4' energy: -133.602 flat angles P-C4'-P energy: -87.020 tors. eta vs tors. theta energy: -17.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -835.801109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.801109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.801109 (E_RNA) where: Base-Base interactions energy: -341.730 where: short stacking energy: -305.080 Base-Backbone interact. energy: 1.511 local terms energy: -495.582864 where: bonds (distance) C4'-P energy: -133.484 bonds (distance) P-C4' energy: -170.880 flat angles C4'-P-C4' energy: -136.021 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: 5.492 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: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -730.490369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.490369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.490369 (E_RNA) where: Base-Base interactions energy: -265.717 where: short stacking energy: -241.702 Base-Backbone interact. energy: -3.813 local terms energy: -460.959728 where: bonds (distance) C4'-P energy: -132.546 bonds (distance) P-C4' energy: -155.791 flat angles C4'-P-C4' energy: -131.241 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: 25.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2592.944659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.944659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.944659 (E_RNA) where: Base-Base interactions energy: -1627.182 where: short stacking energy: -958.137 Base-Backbone interact. energy: -4.509 local terms energy: -961.254349 where: bonds (distance) C4'-P energy: -188.189 bonds (distance) P-C4' energy: -181.018 flat angles C4'-P-C4' energy: -207.438 flat angles P-C4'-P energy: -133.244 tors. eta vs tors. theta energy: -251.366 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: 359 Temperature: 0.950000 Total energy: -2378.326935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.326935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.326935 (E_RNA) where: Base-Base interactions energy: -1464.729 where: short stacking energy: -871.516 Base-Backbone interact. energy: -6.539 local terms energy: -907.058516 where: bonds (distance) C4'-P energy: -175.531 bonds (distance) P-C4' energy: -165.427 flat angles C4'-P-C4' energy: -209.886 flat angles P-C4'-P energy: -129.693 tors. eta vs tors. theta energy: -226.523 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: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2239.872032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.872032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.872032 (E_RNA) where: Base-Base interactions energy: -1346.100 where: short stacking energy: -861.364 Base-Backbone interact. energy: -2.262 local terms energy: -891.510165 where: bonds (distance) C4'-P energy: -177.725 bonds (distance) P-C4' energy: -158.197 flat angles C4'-P-C4' energy: -199.677 flat angles P-C4'-P energy: -131.481 tors. eta vs tors. theta energy: -224.429 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: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1890.652654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.652654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.652654 (E_RNA) where: Base-Base interactions energy: -1147.418 where: short stacking energy: -733.061 Base-Backbone interact. energy: -1.997 local terms energy: -741.238169 where: bonds (distance) C4'-P energy: -142.348 bonds (distance) P-C4' energy: -190.920 flat angles C4'-P-C4' energy: -171.555 flat angles P-C4'-P energy: -92.836 tors. eta vs tors. theta energy: -143.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1713.940916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.940916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.940916 (E_RNA) where: Base-Base interactions energy: -950.763 where: short stacking energy: -600.348 Base-Backbone interact. energy: -1.907 local terms energy: -761.270306 where: bonds (distance) C4'-P energy: -170.318 bonds (distance) P-C4' energy: -169.845 flat angles C4'-P-C4' energy: -190.600 flat angles P-C4'-P energy: -109.011 tors. eta vs tors. theta energy: -121.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1371.906719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.906719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.906719 (E_RNA) where: Base-Base interactions energy: -677.556 where: short stacking energy: -480.208 Base-Backbone interact. energy: -1.334 local terms energy: -693.016808 where: bonds (distance) C4'-P energy: -164.500 bonds (distance) P-C4' energy: -167.401 flat angles C4'-P-C4' energy: -166.892 flat angles P-C4'-P energy: -105.595 tors. eta vs tors. theta energy: -88.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1303.312102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.312102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.312102 (E_RNA) where: Base-Base interactions energy: -701.917 where: short stacking energy: -496.541 Base-Backbone interact. energy: -1.473 local terms energy: -599.922029 where: bonds (distance) C4'-P energy: -145.653 bonds (distance) P-C4' energy: -157.877 flat angles C4'-P-C4' energy: -170.525 flat angles P-C4'-P energy: -72.933 tors. eta vs tors. theta energy: -52.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -952.595506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.595506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.595506 (E_RNA) where: Base-Base interactions energy: -445.058 where: short stacking energy: -413.602 Base-Backbone interact. energy: 7.598 local terms energy: -515.135847 where: bonds (distance) C4'-P energy: -141.637 bonds (distance) P-C4' energy: -126.461 flat angles C4'-P-C4' energy: -128.445 flat angles P-C4'-P energy: -82.952 tors. eta vs tors. theta energy: -35.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -891.389317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.389317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.389317 (E_RNA) where: Base-Base interactions energy: -380.578 where: short stacking energy: -357.793 Base-Backbone interact. energy: 4.640 local terms energy: -515.451982 where: bonds (distance) C4'-P energy: -147.652 bonds (distance) P-C4' energy: -143.689 flat angles C4'-P-C4' energy: -126.749 flat angles P-C4'-P energy: -91.484 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -779.954515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.954515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.954515 (E_RNA) where: Base-Base interactions energy: -326.424 where: short stacking energy: -299.154 Base-Backbone interact. energy: 9.964 local terms energy: -463.494509 where: bonds (distance) C4'-P energy: -122.923 bonds (distance) P-C4' energy: -143.434 flat angles C4'-P-C4' energy: -118.248 flat angles P-C4'-P energy: -80.257 tors. eta vs tors. theta energy: 1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2599.224669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.224669 (E_RNA) where: Base-Base interactions energy: -1666.540 where: short stacking energy: -990.097 Base-Backbone interact. energy: -0.414 local terms energy: -932.271052 where: bonds (distance) C4'-P energy: -162.804 bonds (distance) P-C4' energy: -172.177 flat angles C4'-P-C4' energy: -201.158 flat angles P-C4'-P energy: -125.905 tors. eta vs tors. theta energy: -270.226 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: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2373.597228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.597228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.597228 (E_RNA) where: Base-Base interactions energy: -1474.477 where: short stacking energy: -860.031 Base-Backbone interact. energy: -6.678 local terms energy: -892.442457 where: bonds (distance) C4'-P energy: -167.712 bonds (distance) P-C4' energy: -178.879 flat angles C4'-P-C4' energy: -192.886 flat angles P-C4'-P energy: -137.074 tors. eta vs tors. theta energy: -215.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2187.843181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.843181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.843181 (E_RNA) where: Base-Base interactions energy: -1374.625 where: short stacking energy: -839.894 Base-Backbone interact. energy: 2.887 local terms energy: -816.105301 where: bonds (distance) C4'-P energy: -172.720 bonds (distance) P-C4' energy: -148.925 flat angles C4'-P-C4' energy: -186.365 flat angles P-C4'-P energy: -116.979 tors. eta vs tors. theta energy: -191.116 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: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1905.513513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.513513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.513513 (E_RNA) where: Base-Base interactions energy: -1127.859 where: short stacking energy: -722.066 Base-Backbone interact. energy: 2.200 local terms energy: -779.854837 where: bonds (distance) C4'-P energy: -166.430 bonds (distance) P-C4' energy: -170.566 flat angles C4'-P-C4' energy: -191.657 flat angles P-C4'-P energy: -89.861 tors. eta vs tors. theta energy: -161.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1698.718345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.718345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.718345 (E_RNA) where: Base-Base interactions energy: -997.260 where: short stacking energy: -596.143 Base-Backbone interact. energy: -1.891 local terms energy: -699.567453 where: bonds (distance) C4'-P energy: -145.425 bonds (distance) P-C4' energy: -163.755 flat angles C4'-P-C4' energy: -182.025 flat angles P-C4'-P energy: -104.261 tors. eta vs tors. theta energy: -104.101 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: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1330.434600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.434600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.434600 (E_RNA) where: Base-Base interactions energy: -673.949 where: short stacking energy: -480.986 Base-Backbone interact. energy: 0.270 local terms energy: -656.756041 where: bonds (distance) C4'-P energy: -159.263 bonds (distance) P-C4' energy: -181.051 flat angles C4'-P-C4' energy: -156.873 flat angles P-C4'-P energy: -92.515 tors. eta vs tors. theta energy: -67.054 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: 360 Temperature: 1.200000 Total energy: -1311.880871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.880871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.880871 (E_RNA) where: Base-Base interactions energy: -699.829 where: short stacking energy: -488.581 Base-Backbone interact. energy: 0.076 local terms energy: -612.128445 where: bonds (distance) C4'-P energy: -146.214 bonds (distance) P-C4' energy: -166.549 flat angles C4'-P-C4' energy: -153.650 flat angles P-C4'-P energy: -95.498 tors. eta vs tors. theta energy: -50.218 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: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -940.856919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.856919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.856919 (E_RNA) where: Base-Base interactions energy: -393.466 where: short stacking energy: -350.094 Base-Backbone interact. energy: -1.527 local terms energy: -545.863855 where: bonds (distance) C4'-P energy: -163.159 bonds (distance) P-C4' energy: -155.518 flat angles C4'-P-C4' energy: -146.459 flat angles P-C4'-P energy: -72.654 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -845.341209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.341209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.341209 (E_RNA) where: Base-Base interactions energy: -343.161 where: short stacking energy: -298.090 Base-Backbone interact. energy: -1.443 local terms energy: -500.737116 where: bonds (distance) C4'-P energy: -142.722 bonds (distance) P-C4' energy: -150.198 flat angles C4'-P-C4' energy: -135.410 flat angles P-C4'-P energy: -73.544 tors. eta vs tors. theta energy: 1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -788.317474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.317474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.317474 (E_RNA) where: Base-Base interactions energy: -307.035 where: short stacking energy: -281.198 Base-Backbone interact. energy: -2.311 local terms energy: -478.971620 where: bonds (distance) C4'-P energy: -153.884 bonds (distance) P-C4' energy: -156.385 flat angles C4'-P-C4' energy: -118.359 flat angles P-C4'-P energy: -83.058 tors. eta vs tors. theta energy: 32.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2557.227553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.227553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.227553 (E_RNA) where: Base-Base interactions energy: -1648.394 where: short stacking energy: -950.919 Base-Backbone interact. energy: 1.186 local terms energy: -910.020117 where: bonds (distance) C4'-P energy: -180.435 bonds (distance) P-C4' energy: -170.143 flat angles C4'-P-C4' energy: -200.195 flat angles P-C4'-P energy: -136.203 tors. eta vs tors. theta energy: -223.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2364.659593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.659593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.659593 (E_RNA) where: Base-Base interactions energy: -1466.795 where: short stacking energy: -908.936 Base-Backbone interact. energy: -6.825 local terms energy: -891.039058 where: bonds (distance) C4'-P energy: -176.437 bonds (distance) P-C4' energy: -171.029 flat angles C4'-P-C4' energy: -199.164 flat angles P-C4'-P energy: -123.637 tors. eta vs tors. theta energy: -220.771 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: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2194.476666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.476666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.476666 (E_RNA) where: Base-Base interactions energy: -1347.307 where: short stacking energy: -840.295 Base-Backbone interact. energy: -0.432 local terms energy: -846.737244 where: bonds (distance) C4'-P energy: -166.995 bonds (distance) P-C4' energy: -165.665 flat angles C4'-P-C4' energy: -182.897 flat angles P-C4'-P energy: -127.856 tors. eta vs tors. theta energy: -203.324 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: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1853.643130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.643130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.643130 (E_RNA) where: Base-Base interactions energy: -1068.614 where: short stacking energy: -686.809 Base-Backbone interact. energy: -1.378 local terms energy: -783.651545 where: bonds (distance) C4'-P energy: -170.721 bonds (distance) P-C4' energy: -178.119 flat angles C4'-P-C4' energy: -178.960 flat angles P-C4'-P energy: -111.604 tors. eta vs tors. theta energy: -144.247 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: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1737.063616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.063616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.063616 (E_RNA) where: Base-Base interactions energy: -992.707 where: short stacking energy: -628.405 Base-Backbone interact. energy: -3.086 local terms energy: -741.270648 where: bonds (distance) C4'-P energy: -157.614 bonds (distance) P-C4' energy: -178.796 flat angles C4'-P-C4' energy: -148.814 flat angles P-C4'-P energy: -105.385 tors. eta vs tors. theta energy: -150.662 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: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1357.515158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.515158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.515158 (E_RNA) where: Base-Base interactions energy: -709.507 where: short stacking energy: -509.206 Base-Backbone interact. energy: -1.320 local terms energy: -646.687860 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -177.344 flat angles C4'-P-C4' energy: -173.333 flat angles P-C4'-P energy: -90.909 tors. eta vs tors. theta energy: -64.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1177.451588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.451588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.451588 (E_RNA) where: Base-Base interactions energy: -618.749 where: short stacking energy: -399.893 Base-Backbone interact. energy: -3.728 local terms energy: -554.974522 where: bonds (distance) C4'-P energy: -142.866 bonds (distance) P-C4' energy: -156.845 flat angles C4'-P-C4' energy: -142.186 flat angles P-C4'-P energy: -87.314 tors. eta vs tors. theta energy: -25.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -945.218071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.218071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.218071 (E_RNA) where: Base-Base interactions energy: -421.670 where: short stacking energy: -326.891 Base-Backbone interact. energy: -1.650 local terms energy: -521.898077 where: bonds (distance) C4'-P energy: -154.532 bonds (distance) P-C4' energy: -156.874 flat angles C4'-P-C4' energy: -123.438 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: -13.016 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: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -825.010208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.010208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.010208 (E_RNA) where: Base-Base interactions energy: -329.983 where: short stacking energy: -291.186 Base-Backbone interact. energy: 3.927 local terms energy: -498.954379 where: bonds (distance) C4'-P energy: -144.690 bonds (distance) P-C4' energy: -146.716 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -753.659332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.659332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.659332 (E_RNA) where: Base-Base interactions energy: -303.662 where: short stacking energy: -286.008 Base-Backbone interact. energy: 4.203 local terms energy: -454.199456 where: bonds (distance) C4'-P energy: -122.003 bonds (distance) P-C4' energy: -171.272 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: 20.691 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: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2538.908789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.908789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.908789 (E_RNA) where: Base-Base interactions energy: -1626.140 where: short stacking energy: -951.837 Base-Backbone interact. energy: -6.026 local terms energy: -906.743493 where: bonds (distance) C4'-P energy: -166.953 bonds (distance) P-C4' energy: -192.145 flat angles C4'-P-C4' energy: -182.759 flat angles P-C4'-P energy: -133.069 tors. eta vs tors. theta energy: -231.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2408.860177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.860177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.860177 (E_RNA) where: Base-Base interactions energy: -1513.075 where: short stacking energy: -916.141 Base-Backbone interact. energy: -3.999 local terms energy: -891.786011 where: bonds (distance) C4'-P energy: -183.441 bonds (distance) P-C4' energy: -168.594 flat angles C4'-P-C4' energy: -199.488 flat angles P-C4'-P energy: -121.636 tors. eta vs tors. theta energy: -218.626 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: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2212.000197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.000197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.000197 (E_RNA) where: Base-Base interactions energy: -1347.525 where: short stacking energy: -823.838 Base-Backbone interact. energy: -0.438 local terms energy: -864.037381 where: bonds (distance) C4'-P energy: -196.819 bonds (distance) P-C4' energy: -155.246 flat angles C4'-P-C4' energy: -195.402 flat angles P-C4'-P energy: -123.636 tors. eta vs tors. theta energy: -192.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1883.790352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.790352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.790352 (E_RNA) where: Base-Base interactions energy: -1100.557 where: short stacking energy: -679.596 Base-Backbone interact. energy: -3.058 local terms energy: -780.175083 where: bonds (distance) C4'-P energy: -177.126 bonds (distance) P-C4' energy: -164.863 flat angles C4'-P-C4' energy: -178.231 flat angles P-C4'-P energy: -123.222 tors. eta vs tors. theta energy: -136.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1710.388797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.388797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.388797 (E_RNA) where: Base-Base interactions energy: -949.564 where: short stacking energy: -602.707 Base-Backbone interact. energy: -0.164 local terms energy: -760.660360 where: bonds (distance) C4'-P energy: -173.579 bonds (distance) P-C4' energy: -182.690 flat angles C4'-P-C4' energy: -181.940 flat angles P-C4'-P energy: -109.179 tors. eta vs tors. theta energy: -113.272 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: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1339.543875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.543875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.543875 (E_RNA) where: Base-Base interactions energy: -707.789 where: short stacking energy: -519.351 Base-Backbone interact. energy: -1.154 local terms energy: -630.601183 where: bonds (distance) C4'-P energy: -155.087 bonds (distance) P-C4' energy: -172.529 flat angles C4'-P-C4' energy: -145.766 flat angles P-C4'-P energy: -85.437 tors. eta vs tors. theta energy: -71.782 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: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1173.716146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.716146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.716146 (E_RNA) where: Base-Base interactions energy: -594.589 where: short stacking energy: -412.140 Base-Backbone interact. energy: -1.711 local terms energy: -577.416773 where: bonds (distance) C4'-P energy: -152.982 bonds (distance) P-C4' energy: -150.326 flat angles C4'-P-C4' energy: -154.320 flat angles P-C4'-P energy: -95.174 tors. eta vs tors. theta energy: -24.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -950.755228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.755228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.755228 (E_RNA) where: Base-Base interactions energy: -405.092 where: short stacking energy: -349.883 Base-Backbone interact. energy: 0.316 local terms energy: -545.978419 where: bonds (distance) C4'-P energy: -143.589 bonds (distance) P-C4' energy: -139.931 flat angles C4'-P-C4' energy: -139.559 flat angles P-C4'-P energy: -102.637 tors. eta vs tors. theta energy: -20.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -854.939342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.939342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.939342 (E_RNA) where: Base-Base interactions energy: -357.819 where: short stacking energy: -293.784 Base-Backbone interact. energy: 2.412 local terms energy: -499.532460 where: bonds (distance) C4'-P energy: -155.035 bonds (distance) P-C4' energy: -135.783 flat angles C4'-P-C4' energy: -116.180 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: 1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -758.185660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.185660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.185660 (E_RNA) where: Base-Base interactions energy: -324.534 where: short stacking energy: -302.570 Base-Backbone interact. energy: 4.352 local terms energy: -438.003412 where: bonds (distance) C4'-P energy: -132.482 bonds (distance) P-C4' energy: -132.987 flat angles C4'-P-C4' energy: -120.333 flat angles P-C4'-P energy: -55.227 tors. eta vs tors. theta energy: 3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2548.827943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.827943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.827943 (E_RNA) where: Base-Base interactions energy: -1607.184 where: short stacking energy: -935.794 Base-Backbone interact. energy: -3.627 local terms energy: -938.017179 where: bonds (distance) C4'-P energy: -174.947 bonds (distance) P-C4' energy: -194.227 flat angles C4'-P-C4' energy: -198.025 flat angles P-C4'-P energy: -141.528 tors. eta vs tors. theta energy: -229.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2378.308095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.308095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.308095 (E_RNA) where: Base-Base interactions energy: -1482.650 where: short stacking energy: -894.393 Base-Backbone interact. energy: -2.547 local terms energy: -893.111102 where: bonds (distance) C4'-P energy: -170.508 bonds (distance) P-C4' energy: -180.851 flat angles C4'-P-C4' energy: -189.081 flat angles P-C4'-P energy: -132.684 tors. eta vs tors. theta energy: -219.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2225.335471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.335471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.335471 (E_RNA) where: Base-Base interactions energy: -1329.596 where: short stacking energy: -851.998 Base-Backbone interact. energy: -4.627 local terms energy: -891.112455 where: bonds (distance) C4'-P energy: -185.307 bonds (distance) P-C4' energy: -173.265 flat angles C4'-P-C4' energy: -196.166 flat angles P-C4'-P energy: -121.320 tors. eta vs tors. theta energy: -215.053 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: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1912.079007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.079007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.079007 (E_RNA) where: Base-Base interactions energy: -1140.589 where: short stacking energy: -727.467 Base-Backbone interact. energy: -5.392 local terms energy: -766.098370 where: bonds (distance) C4'-P energy: -174.144 bonds (distance) P-C4' energy: -154.011 flat angles C4'-P-C4' energy: -166.286 flat angles P-C4'-P energy: -119.500 tors. eta vs tors. theta energy: -152.157 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: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1683.463176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.463176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.463176 (E_RNA) where: Base-Base interactions energy: -965.215 where: short stacking energy: -615.132 Base-Backbone interact. energy: -5.942 local terms energy: -712.306305 where: bonds (distance) C4'-P energy: -142.456 bonds (distance) P-C4' energy: -172.015 flat angles C4'-P-C4' energy: -170.095 flat angles P-C4'-P energy: -112.505 tors. eta vs tors. theta energy: -115.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1328.933260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.933260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.933260 (E_RNA) where: Base-Base interactions energy: -675.335 where: short stacking energy: -511.867 Base-Backbone interact. energy: 1.221 local terms energy: -654.819772 where: bonds (distance) C4'-P energy: -155.703 bonds (distance) P-C4' energy: -167.207 flat angles C4'-P-C4' energy: -165.172 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -69.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1200.454344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.454344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.454344 (E_RNA) where: Base-Base interactions energy: -595.013 where: short stacking energy: -391.828 Base-Backbone interact. energy: -3.098 local terms energy: -602.344302 where: bonds (distance) C4'-P energy: -164.745 bonds (distance) P-C4' energy: -170.735 flat angles C4'-P-C4' energy: -151.511 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: -22.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -949.664947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.664947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.664947 (E_RNA) where: Base-Base interactions energy: -405.320 where: short stacking energy: -351.647 Base-Backbone interact. energy: 4.589 local terms energy: -548.933915 where: bonds (distance) C4'-P energy: -160.023 bonds (distance) P-C4' energy: -162.553 flat angles C4'-P-C4' energy: -139.848 flat angles P-C4'-P energy: -75.341 tors. eta vs tors. theta energy: -11.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -833.661966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.661966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.661966 (E_RNA) where: Base-Base interactions energy: -371.436 where: short stacking energy: -329.991 Base-Backbone interact. energy: 0.472 local terms energy: -462.698323 where: bonds (distance) C4'-P energy: -115.950 bonds (distance) P-C4' energy: -145.707 flat angles C4'-P-C4' energy: -150.685 flat angles P-C4'-P energy: -41.774 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -779.655512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.655512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.655512 (E_RNA) where: Base-Base interactions energy: -298.869 where: short stacking energy: -258.330 Base-Backbone interact. energy: 3.444 local terms energy: -484.230408 where: bonds (distance) C4'-P energy: -149.659 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -105.833 flat angles P-C4'-P energy: -72.472 tors. eta vs tors. theta energy: 5.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2540.905085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.905085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.905085 (E_RNA) where: Base-Base interactions energy: -1605.455 where: short stacking energy: -914.970 Base-Backbone interact. energy: -2.361 local terms energy: -933.089532 where: bonds (distance) C4'-P energy: -188.585 bonds (distance) P-C4' energy: -180.643 flat angles C4'-P-C4' energy: -206.631 flat angles P-C4'-P energy: -128.968 tors. eta vs tors. theta energy: -228.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2374.776339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.776339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.776339 (E_RNA) where: Base-Base interactions energy: -1488.588 where: short stacking energy: -899.116 Base-Backbone interact. energy: -4.385 local terms energy: -881.803049 where: bonds (distance) C4'-P energy: -163.314 bonds (distance) P-C4' energy: -174.235 flat angles C4'-P-C4' energy: -194.154 flat angles P-C4'-P energy: -124.539 tors. eta vs tors. theta energy: -225.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2239.272143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.272143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.272143 (E_RNA) where: Base-Base interactions energy: -1379.177 where: short stacking energy: -868.937 Base-Backbone interact. energy: 1.371 local terms energy: -861.466107 where: bonds (distance) C4'-P energy: -173.589 bonds (distance) P-C4' energy: -166.982 flat angles C4'-P-C4' energy: -186.294 flat angles P-C4'-P energy: -123.060 tors. eta vs tors. theta energy: -211.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1888.185273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.185273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.185273 (E_RNA) where: Base-Base interactions energy: -1114.770 where: short stacking energy: -721.251 Base-Backbone interact. energy: -2.448 local terms energy: -770.967951 where: bonds (distance) C4'-P energy: -149.633 bonds (distance) P-C4' energy: -178.689 flat angles C4'-P-C4' energy: -179.896 flat angles P-C4'-P energy: -108.434 tors. eta vs tors. theta energy: -154.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1666.698138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.698138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.698138 (E_RNA) where: Base-Base interactions energy: -982.568 where: short stacking energy: -605.842 Base-Backbone interact. energy: -2.596 local terms energy: -681.534376 where: bonds (distance) C4'-P energy: -171.483 bonds (distance) P-C4' energy: -158.681 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -106.054 tors. eta vs tors. theta energy: -92.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1259.822674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.822674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.822674 (E_RNA) where: Base-Base interactions energy: -613.383 where: short stacking energy: -449.180 Base-Backbone interact. energy: -2.894 local terms energy: -643.546114 where: bonds (distance) C4'-P energy: -165.272 bonds (distance) P-C4' energy: -158.754 flat angles C4'-P-C4' energy: -168.806 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -63.954 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: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1226.879033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.879033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.879033 (E_RNA) where: Base-Base interactions energy: -655.212 where: short stacking energy: -426.752 Base-Backbone interact. energy: -0.173 local terms energy: -571.494507 where: bonds (distance) C4'-P energy: -147.239 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -130.977 flat angles P-C4'-P energy: -104.612 tors. eta vs tors. theta energy: -41.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -993.635477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.635477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.635477 (E_RNA) where: Base-Base interactions energy: -413.993 where: short stacking energy: -326.837 Base-Backbone interact. energy: 0.419 local terms energy: -580.061287 where: bonds (distance) C4'-P energy: -162.416 bonds (distance) P-C4' energy: -166.453 flat angles C4'-P-C4' energy: -152.470 flat angles P-C4'-P energy: -79.129 tors. eta vs tors. theta energy: -19.593 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: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -819.606535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.606535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.606535 (E_RNA) where: Base-Base interactions energy: -350.317 where: short stacking energy: -273.119 Base-Backbone interact. energy: 6.678 local terms energy: -475.967432 where: bonds (distance) C4'-P energy: -109.594 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -143.135 flat angles P-C4'-P energy: -84.775 tors. eta vs tors. theta energy: 8.498 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: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -768.463872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.463872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.463872 (E_RNA) where: Base-Base interactions energy: -290.373 where: short stacking energy: -258.339 Base-Backbone interact. energy: 7.596 local terms energy: -485.686908 where: bonds (distance) C4'-P energy: -136.291 bonds (distance) P-C4' energy: -158.875 flat angles C4'-P-C4' energy: -119.880 flat angles P-C4'-P energy: -94.495 tors. eta vs tors. theta energy: 23.855 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: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2560.307181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.307181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.307181 (E_RNA) where: Base-Base interactions energy: -1592.596 where: short stacking energy: -950.411 Base-Backbone interact. energy: -5.231 local terms energy: -962.480172 where: bonds (distance) C4'-P energy: -180.003 bonds (distance) P-C4' energy: -171.996 flat angles C4'-P-C4' energy: -216.966 flat angles P-C4'-P energy: -148.594 tors. eta vs tors. theta energy: -244.921 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: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2431.562961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.562961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.562961 (E_RNA) where: Base-Base interactions energy: -1513.352 where: short stacking energy: -945.512 Base-Backbone interact. energy: -3.279 local terms energy: -914.931532 where: bonds (distance) C4'-P energy: -158.339 bonds (distance) P-C4' energy: -175.450 flat angles C4'-P-C4' energy: -205.158 flat angles P-C4'-P energy: -139.584 tors. eta vs tors. theta energy: -236.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2176.186996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.186996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.186996 (E_RNA) where: Base-Base interactions energy: -1324.677 where: short stacking energy: -840.195 Base-Backbone interact. energy: 1.148 local terms energy: -852.658199 where: bonds (distance) C4'-P energy: -156.777 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -206.180 flat angles P-C4'-P energy: -122.166 tors. eta vs tors. theta energy: -208.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1858.363910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.363910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.363910 (E_RNA) where: Base-Base interactions energy: -1101.800 where: short stacking energy: -704.956 Base-Backbone interact. energy: -3.614 local terms energy: -752.950435 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -185.054 flat angles C4'-P-C4' energy: -179.775 flat angles P-C4'-P energy: -94.783 tors. eta vs tors. theta energy: -139.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1585.402837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.402837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.402837 (E_RNA) where: Base-Base interactions energy: -881.133 where: short stacking energy: -597.812 Base-Backbone interact. energy: 0.321 local terms energy: -704.590994 where: bonds (distance) C4'-P energy: -158.346 bonds (distance) P-C4' energy: -171.116 flat angles C4'-P-C4' energy: -180.219 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -100.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1260.513659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.513659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.513659 (E_RNA) where: Base-Base interactions energy: -655.312 where: short stacking energy: -502.002 Base-Backbone interact. energy: 3.425 local terms energy: -608.626559 where: bonds (distance) C4'-P energy: -133.692 bonds (distance) P-C4' energy: -165.040 flat angles C4'-P-C4' energy: -153.290 flat angles P-C4'-P energy: -99.362 tors. eta vs tors. theta energy: -57.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1122.348297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.348297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.348297 (E_RNA) where: Base-Base interactions energy: -565.027 where: short stacking energy: -418.360 Base-Backbone interact. energy: 0.487 local terms energy: -557.809159 where: bonds (distance) C4'-P energy: -140.443 bonds (distance) P-C4' energy: -159.103 flat angles C4'-P-C4' energy: -133.437 flat angles P-C4'-P energy: -92.135 tors. eta vs tors. theta energy: -32.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -950.157760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.157760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.157760 (E_RNA) where: Base-Base interactions energy: -434.766 where: short stacking energy: -345.453 Base-Backbone interact. energy: 3.054 local terms energy: -518.445101 where: bonds (distance) C4'-P energy: -121.059 bonds (distance) P-C4' energy: -160.368 flat angles C4'-P-C4' energy: -136.683 flat angles P-C4'-P energy: -93.827 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -880.949657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.949657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.949657 (E_RNA) where: Base-Base interactions energy: -341.084 where: short stacking energy: -292.792 Base-Backbone interact. energy: 2.079 local terms energy: -541.944825 where: bonds (distance) C4'-P energy: -140.377 bonds (distance) P-C4' energy: -159.781 flat angles C4'-P-C4' energy: -139.909 flat angles P-C4'-P energy: -82.319 tors. eta vs tors. theta energy: -19.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -765.227083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.227083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.227083 (E_RNA) where: Base-Base interactions energy: -294.100 where: short stacking energy: -251.582 Base-Backbone interact. energy: 12.815 local terms energy: -483.941481 where: bonds (distance) C4'-P energy: -128.309 bonds (distance) P-C4' energy: -166.904 flat angles C4'-P-C4' energy: -154.941 flat angles P-C4'-P energy: -55.593 tors. eta vs tors. theta energy: 21.805 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: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2588.016844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.016844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.016844 (E_RNA) where: Base-Base interactions energy: -1652.700 where: short stacking energy: -970.729 Base-Backbone interact. energy: 0.046 local terms energy: -935.363089 where: bonds (distance) C4'-P energy: -180.121 bonds (distance) P-C4' energy: -183.728 flat angles C4'-P-C4' energy: -211.868 flat angles P-C4'-P energy: -128.622 tors. eta vs tors. theta energy: -231.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2487.523969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.523969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.523969 (E_RNA) where: Base-Base interactions energy: -1558.139 where: short stacking energy: -911.217 Base-Backbone interact. energy: -4.843 local terms energy: -924.542229 where: bonds (distance) C4'-P energy: -169.557 bonds (distance) P-C4' energy: -175.893 flat angles C4'-P-C4' energy: -207.755 flat angles P-C4'-P energy: -131.856 tors. eta vs tors. theta energy: -239.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2160.584419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.584419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.584419 (E_RNA) where: Base-Base interactions energy: -1365.807 where: short stacking energy: -815.859 Base-Backbone interact. energy: -5.032 local terms energy: -789.744776 where: bonds (distance) C4'-P energy: -160.566 bonds (distance) P-C4' energy: -165.411 flat angles C4'-P-C4' energy: -182.022 flat angles P-C4'-P energy: -98.850 tors. eta vs tors. theta energy: -182.895 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: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1948.374458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.374458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.374458 (E_RNA) where: Base-Base interactions energy: -1167.022 where: short stacking energy: -712.251 Base-Backbone interact. energy: -4.425 local terms energy: -776.928063 where: bonds (distance) C4'-P energy: -157.444 bonds (distance) P-C4' energy: -181.259 flat angles C4'-P-C4' energy: -174.052 flat angles P-C4'-P energy: -105.127 tors. eta vs tors. theta energy: -159.046 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: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1542.955089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.955089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.955089 (E_RNA) where: Base-Base interactions energy: -824.238 where: short stacking energy: -560.243 Base-Backbone interact. energy: 0.288 local terms energy: -719.004650 where: bonds (distance) C4'-P energy: -156.749 bonds (distance) P-C4' energy: -183.741 flat angles C4'-P-C4' energy: -193.480 flat angles P-C4'-P energy: -93.894 tors. eta vs tors. theta energy: -91.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1278.241121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.241121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.241121 (E_RNA) where: Base-Base interactions energy: -618.613 where: short stacking energy: -488.171 Base-Backbone interact. energy: -2.735 local terms energy: -656.892334 where: bonds (distance) C4'-P energy: -163.731 bonds (distance) P-C4' energy: -150.806 flat angles C4'-P-C4' energy: -168.428 flat angles P-C4'-P energy: -109.009 tors. eta vs tors. theta energy: -64.919 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: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1176.066917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.066917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.066917 (E_RNA) where: Base-Base interactions energy: -595.414 where: short stacking energy: -411.070 Base-Backbone interact. energy: 2.761 local terms energy: -583.413244 where: bonds (distance) C4'-P energy: -157.967 bonds (distance) P-C4' energy: -174.615 flat angles C4'-P-C4' energy: -129.755 flat angles P-C4'-P energy: -96.802 tors. eta vs tors. theta energy: -24.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -995.741171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.741171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.741171 (E_RNA) where: Base-Base interactions energy: -487.595 where: short stacking energy: -354.769 Base-Backbone interact. energy: 0.215 local terms energy: -508.360780 where: bonds (distance) C4'-P energy: -126.038 bonds (distance) P-C4' energy: -153.327 flat angles C4'-P-C4' energy: -129.761 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -8.401 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: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -841.528235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.528235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.528235 (E_RNA) where: Base-Base interactions energy: -356.702 where: short stacking energy: -331.357 Base-Backbone interact. energy: 0.487 local terms energy: -485.312899 where: bonds (distance) C4'-P energy: -134.436 bonds (distance) P-C4' energy: -150.964 flat angles C4'-P-C4' energy: -138.302 flat angles P-C4'-P energy: -64.754 tors. eta vs tors. theta energy: 3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -756.123791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.123791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.123791 (E_RNA) where: Base-Base interactions energy: -282.836 where: short stacking energy: -267.970 Base-Backbone interact. energy: 4.816 local terms energy: -478.103764 where: bonds (distance) C4'-P energy: -134.879 bonds (distance) P-C4' energy: -163.797 flat angles C4'-P-C4' energy: -110.661 flat angles P-C4'-P energy: -74.610 tors. eta vs tors. theta energy: 5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2572.307095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.307095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.307095 (E_RNA) where: Base-Base interactions energy: -1628.201 where: short stacking energy: -976.629 Base-Backbone interact. energy: -3.154 local terms energy: -940.951710 where: bonds (distance) C4'-P energy: -170.538 bonds (distance) P-C4' energy: -182.965 flat angles C4'-P-C4' energy: -206.913 flat angles P-C4'-P energy: -138.749 tors. eta vs tors. theta energy: -241.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2416.189995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.189995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.189995 (E_RNA) where: Base-Base interactions energy: -1514.806 where: short stacking energy: -907.223 Base-Backbone interact. energy: -4.527 local terms energy: -896.856440 where: bonds (distance) C4'-P energy: -178.617 bonds (distance) P-C4' energy: -174.549 flat angles C4'-P-C4' energy: -198.799 flat angles P-C4'-P energy: -112.596 tors. eta vs tors. theta energy: -232.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2162.274204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.274204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.274204 (E_RNA) where: Base-Base interactions energy: -1308.807 where: short stacking energy: -821.996 Base-Backbone interact. energy: -2.032 local terms energy: -851.435081 where: bonds (distance) C4'-P energy: -160.442 bonds (distance) P-C4' energy: -160.104 flat angles C4'-P-C4' energy: -199.849 flat angles P-C4'-P energy: -130.539 tors. eta vs tors. theta energy: -200.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1904.568227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.568227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.568227 (E_RNA) where: Base-Base interactions energy: -1135.882 where: short stacking energy: -680.685 Base-Backbone interact. energy: -2.668 local terms energy: -766.018042 where: bonds (distance) C4'-P energy: -152.845 bonds (distance) P-C4' energy: -163.043 flat angles C4'-P-C4' energy: -179.423 flat angles P-C4'-P energy: -123.823 tors. eta vs tors. theta energy: -146.884 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: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1572.961950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.961950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.961950 (E_RNA) where: Base-Base interactions energy: -891.832 where: short stacking energy: -575.860 Base-Backbone interact. energy: -0.744 local terms energy: -680.386564 where: bonds (distance) C4'-P energy: -153.407 bonds (distance) P-C4' energy: -174.030 flat angles C4'-P-C4' energy: -153.361 flat angles P-C4'-P energy: -104.299 tors. eta vs tors. theta energy: -95.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1239.117244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.117244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.117244 (E_RNA) where: Base-Base interactions energy: -603.956 where: short stacking energy: -463.789 Base-Backbone interact. energy: 0.504 local terms energy: -635.665611 where: bonds (distance) C4'-P energy: -158.140 bonds (distance) P-C4' energy: -172.348 flat angles C4'-P-C4' energy: -149.749 flat angles P-C4'-P energy: -107.802 tors. eta vs tors. theta energy: -47.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1142.160732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.160732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.160732 (E_RNA) where: Base-Base interactions energy: -563.085 where: short stacking energy: -444.091 Base-Backbone interact. energy: -0.295 local terms energy: -578.780456 where: bonds (distance) C4'-P energy: -140.220 bonds (distance) P-C4' energy: -157.870 flat angles C4'-P-C4' energy: -136.187 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -50.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -891.783985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.783985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.783985 (E_RNA) where: Base-Base interactions energy: -347.568 where: short stacking energy: -317.320 Base-Backbone interact. energy: 0.717 local terms energy: -544.932719 where: bonds (distance) C4'-P energy: -125.957 bonds (distance) P-C4' energy: -171.493 flat angles C4'-P-C4' energy: -162.495 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -8.733 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: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -947.613217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.613217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.613217 (E_RNA) where: Base-Base interactions energy: -426.356 where: short stacking energy: -334.842 Base-Backbone interact. energy: 2.586 local terms energy: -523.842636 where: bonds (distance) C4'-P energy: -158.040 bonds (distance) P-C4' energy: -164.982 flat angles C4'-P-C4' energy: -135.950 flat angles P-C4'-P energy: -59.983 tors. eta vs tors. theta energy: -4.887 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: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -744.512697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.512697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.512697 (E_RNA) where: Base-Base interactions energy: -304.337 where: short stacking energy: -272.299 Base-Backbone interact. energy: 7.455 local terms energy: -447.631262 where: bonds (distance) C4'-P energy: -172.272 bonds (distance) P-C4' energy: -136.611 flat angles C4'-P-C4' energy: -114.144 flat angles P-C4'-P energy: -54.098 tors. eta vs tors. theta energy: 29.494 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: 368 Temperature: 0.900000 Total energy: -2532.800003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.800003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.800003 (E_RNA) where: Base-Base interactions energy: -1575.156 where: short stacking energy: -947.748 Base-Backbone interact. energy: -3.322 local terms energy: -954.322253 where: bonds (distance) C4'-P energy: -193.126 bonds (distance) P-C4' energy: -188.203 flat angles C4'-P-C4' energy: -208.411 flat angles P-C4'-P energy: -132.479 tors. eta vs tors. theta energy: -232.103 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: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2441.557691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.557691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.557691 (E_RNA) where: Base-Base interactions energy: -1515.754 where: short stacking energy: -898.254 Base-Backbone interact. energy: -3.818 local terms energy: -921.985851 where: bonds (distance) C4'-P energy: -190.682 bonds (distance) P-C4' energy: -175.958 flat angles C4'-P-C4' energy: -198.437 flat angles P-C4'-P energy: -132.946 tors. eta vs tors. theta energy: -223.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2185.470693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.470693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.470693 (E_RNA) where: Base-Base interactions energy: -1352.370 where: short stacking energy: -810.170 Base-Backbone interact. energy: -4.179 local terms energy: -828.921801 where: bonds (distance) C4'-P energy: -160.502 bonds (distance) P-C4' energy: -180.229 flat angles C4'-P-C4' energy: -178.183 flat angles P-C4'-P energy: -117.294 tors. eta vs tors. theta energy: -192.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1999.508535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.508535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.508535 (E_RNA) where: Base-Base interactions energy: -1240.484 where: short stacking energy: -733.678 Base-Backbone interact. energy: 0.615 local terms energy: -759.639292 where: bonds (distance) C4'-P energy: -161.764 bonds (distance) P-C4' energy: -141.313 flat angles C4'-P-C4' energy: -183.237 flat angles P-C4'-P energy: -134.542 tors. eta vs tors. theta energy: -138.782 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: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1609.154033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.154033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.154033 (E_RNA) where: Base-Base interactions energy: -888.012 where: short stacking energy: -608.591 Base-Backbone interact. energy: -2.607 local terms energy: -718.534206 where: bonds (distance) C4'-P energy: -173.976 bonds (distance) P-C4' energy: -155.983 flat angles C4'-P-C4' energy: -175.887 flat angles P-C4'-P energy: -100.827 tors. eta vs tors. theta energy: -111.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1243.830262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.830262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.830262 (E_RNA) where: Base-Base interactions energy: -614.526 where: short stacking energy: -478.315 Base-Backbone interact. energy: -3.085 local terms energy: -626.219334 where: bonds (distance) C4'-P energy: -155.051 bonds (distance) P-C4' energy: -153.544 flat angles C4'-P-C4' energy: -168.013 flat angles P-C4'-P energy: -105.181 tors. eta vs tors. theta energy: -44.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1144.881506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.881506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.881506 (E_RNA) where: Base-Base interactions energy: -541.855 where: short stacking energy: -436.961 Base-Backbone interact. energy: -2.129 local terms energy: -600.897970 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -142.799 flat angles C4'-P-C4' energy: -142.534 flat angles P-C4'-P energy: -110.449 tors. eta vs tors. theta energy: -52.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -906.967161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.967161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.967161 (E_RNA) where: Base-Base interactions energy: -397.385 where: short stacking energy: -338.885 Base-Backbone interact. energy: 4.788 local terms energy: -514.370370 where: bonds (distance) C4'-P energy: -154.015 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -137.670 flat angles P-C4'-P energy: -63.858 tors. eta vs tors. theta energy: -14.287 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: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -923.932330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.932330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.932330 (E_RNA) where: Base-Base interactions energy: -403.516 where: short stacking energy: -340.781 Base-Backbone interact. energy: 4.605 local terms energy: -525.021502 where: bonds (distance) C4'-P energy: -160.336 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -143.437 flat angles P-C4'-P energy: -73.383 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -734.187272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.187272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.187272 (E_RNA) where: Base-Base interactions energy: -255.839 where: short stacking energy: -210.243 Base-Backbone interact. energy: -2.383 local terms energy: -475.965328 where: bonds (distance) C4'-P energy: -141.518 bonds (distance) P-C4' energy: -166.747 flat angles C4'-P-C4' energy: -127.141 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: 35.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2580.672310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.672310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.672310 (E_RNA) where: Base-Base interactions energy: -1616.108 where: short stacking energy: -967.065 Base-Backbone interact. energy: 1.927 local terms energy: -966.491864 where: bonds (distance) C4'-P energy: -179.601 bonds (distance) P-C4' energy: -181.271 flat angles C4'-P-C4' energy: -218.599 flat angles P-C4'-P energy: -138.650 tors. eta vs tors. theta energy: -248.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2447.876891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.876891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.876891 (E_RNA) where: Base-Base interactions energy: -1552.111 where: short stacking energy: -899.862 Base-Backbone interact. energy: -3.544 local terms energy: -892.222021 where: bonds (distance) C4'-P energy: -161.915 bonds (distance) P-C4' energy: -173.963 flat angles C4'-P-C4' energy: -208.352 flat angles P-C4'-P energy: -127.275 tors. eta vs tors. theta energy: -220.717 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: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2159.740679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.740679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.740679 (E_RNA) where: Base-Base interactions energy: -1315.976 where: short stacking energy: -791.230 Base-Backbone interact. energy: -3.247 local terms energy: -840.517420 where: bonds (distance) C4'-P energy: -171.335 bonds (distance) P-C4' energy: -173.039 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -135.748 tors. eta vs tors. theta energy: -171.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1931.556793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.556793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.556793 (E_RNA) where: Base-Base interactions energy: -1155.463 where: short stacking energy: -686.375 Base-Backbone interact. energy: -2.469 local terms energy: -773.625480 where: bonds (distance) C4'-P energy: -173.810 bonds (distance) P-C4' energy: -171.599 flat angles C4'-P-C4' energy: -181.284 flat angles P-C4'-P energy: -102.285 tors. eta vs tors. theta energy: -144.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1543.241746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.241746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.241746 (E_RNA) where: Base-Base interactions energy: -827.450 where: short stacking energy: -564.852 Base-Backbone interact. energy: -2.882 local terms energy: -712.910526 where: bonds (distance) C4'-P energy: -149.891 bonds (distance) P-C4' energy: -166.890 flat angles C4'-P-C4' energy: -182.309 flat angles P-C4'-P energy: -105.096 tors. eta vs tors. theta energy: -108.723 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: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1328.266944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.266944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.266944 (E_RNA) where: Base-Base interactions energy: -676.984 where: short stacking energy: -514.654 Base-Backbone interact. energy: 0.882 local terms energy: -652.164330 where: bonds (distance) C4'-P energy: -169.327 bonds (distance) P-C4' energy: -159.282 flat angles C4'-P-C4' energy: -164.292 flat angles P-C4'-P energy: -79.713 tors. eta vs tors. theta energy: -79.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1248.475893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.475893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.475893 (E_RNA) where: Base-Base interactions energy: -673.995 where: short stacking energy: -499.355 Base-Backbone interact. energy: -1.660 local terms energy: -572.820334 where: bonds (distance) C4'-P energy: -139.214 bonds (distance) P-C4' energy: -141.036 flat angles C4'-P-C4' energy: -159.611 flat angles P-C4'-P energy: -79.641 tors. eta vs tors. theta energy: -53.318 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: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -933.396873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.396873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.396873 (E_RNA) where: Base-Base interactions energy: -394.061 where: short stacking energy: -341.044 Base-Backbone interact. energy: 7.670 local terms energy: -547.005686 where: bonds (distance) C4'-P energy: -152.040 bonds (distance) P-C4' energy: -180.703 flat angles C4'-P-C4' energy: -133.843 flat angles P-C4'-P energy: -81.760 tors. eta vs tors. theta energy: 1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -845.992047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.992047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.992047 (E_RNA) where: Base-Base interactions energy: -333.928 where: short stacking energy: -286.956 Base-Backbone interact. energy: -0.891 local terms energy: -511.172299 where: bonds (distance) C4'-P energy: -146.067 bonds (distance) P-C4' energy: -143.351 flat angles C4'-P-C4' energy: -131.881 flat angles P-C4'-P energy: -93.577 tors. eta vs tors. theta energy: 3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -774.409188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.409188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.409188 (E_RNA) where: Base-Base interactions energy: -297.948 where: short stacking energy: -271.187 Base-Backbone interact. energy: -0.769 local terms energy: -475.692000 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -162.659 flat angles C4'-P-C4' energy: -105.948 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: 11.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2578.484728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.484728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.484728 (E_RNA) where: Base-Base interactions energy: -1644.105 where: short stacking energy: -991.370 Base-Backbone interact. energy: -3.187 local terms energy: -931.192624 where: bonds (distance) C4'-P energy: -183.016 bonds (distance) P-C4' energy: -172.043 flat angles C4'-P-C4' energy: -193.391 flat angles P-C4'-P energy: -126.975 tors. eta vs tors. theta energy: -255.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2454.310435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.310435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.310435 (E_RNA) where: Base-Base interactions energy: -1514.711 where: short stacking energy: -908.693 Base-Backbone interact. energy: -3.007 local terms energy: -936.593040 where: bonds (distance) C4'-P energy: -175.805 bonds (distance) P-C4' energy: -186.223 flat angles C4'-P-C4' energy: -215.853 flat angles P-C4'-P energy: -121.256 tors. eta vs tors. theta energy: -237.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2160.513570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.513570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.513570 (E_RNA) where: Base-Base interactions energy: -1310.073 where: short stacking energy: -803.173 Base-Backbone interact. energy: -1.758 local terms energy: -848.682783 where: bonds (distance) C4'-P energy: -164.205 bonds (distance) P-C4' energy: -175.873 flat angles C4'-P-C4' energy: -189.579 flat angles P-C4'-P energy: -134.483 tors. eta vs tors. theta energy: -184.543 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: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1956.507391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.507391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.507391 (E_RNA) where: Base-Base interactions energy: -1197.861 where: short stacking energy: -729.476 Base-Backbone interact. energy: 2.723 local terms energy: -761.368991 where: bonds (distance) C4'-P energy: -152.821 bonds (distance) P-C4' energy: -183.243 flat angles C4'-P-C4' energy: -162.767 flat angles P-C4'-P energy: -121.792 tors. eta vs tors. theta energy: -140.745 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: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1525.378071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.378071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.378071 (E_RNA) where: Base-Base interactions energy: -855.164 where: short stacking energy: -569.992 Base-Backbone interact. energy: -0.608 local terms energy: -669.606343 where: bonds (distance) C4'-P energy: -160.261 bonds (distance) P-C4' energy: -167.387 flat angles C4'-P-C4' energy: -158.491 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -84.554 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: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1316.437854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.437854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.437854 (E_RNA) where: Base-Base interactions energy: -653.602 where: short stacking energy: -488.648 Base-Backbone interact. energy: 3.234 local terms energy: -666.069644 where: bonds (distance) C4'-P energy: -156.655 bonds (distance) P-C4' energy: -144.642 flat angles C4'-P-C4' energy: -167.192 flat angles P-C4'-P energy: -125.915 tors. eta vs tors. theta energy: -71.665 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: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1227.778206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.778206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.778206 (E_RNA) where: Base-Base interactions energy: -621.057 where: short stacking energy: -450.487 Base-Backbone interact. energy: 4.187 local terms energy: -610.907864 where: bonds (distance) C4'-P energy: -160.182 bonds (distance) P-C4' energy: -166.078 flat angles C4'-P-C4' energy: -149.166 flat angles P-C4'-P energy: -83.907 tors. eta vs tors. theta energy: -51.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -923.356599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.356599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.356599 (E_RNA) where: Base-Base interactions energy: -425.997 where: short stacking energy: -346.951 Base-Backbone interact. energy: 5.251 local terms energy: -502.610704 where: bonds (distance) C4'-P energy: -152.318 bonds (distance) P-C4' energy: -153.067 flat angles C4'-P-C4' energy: -117.172 flat angles P-C4'-P energy: -60.807 tors. eta vs tors. theta energy: -19.246 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: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -919.251677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.251677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.251677 (E_RNA) where: Base-Base interactions energy: -406.228 where: short stacking energy: -349.781 Base-Backbone interact. energy: 4.098 local terms energy: -517.121081 where: bonds (distance) C4'-P energy: -145.516 bonds (distance) P-C4' energy: -156.905 flat angles C4'-P-C4' energy: -138.271 flat angles P-C4'-P energy: -60.912 tors. eta vs tors. theta energy: -15.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -760.443265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.443265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.443265 (E_RNA) where: Base-Base interactions energy: -341.969 where: short stacking energy: -292.321 Base-Backbone interact. energy: 8.073 local terms energy: -426.547926 where: bonds (distance) C4'-P energy: -129.310 bonds (distance) P-C4' energy: -141.970 flat angles C4'-P-C4' energy: -132.525 flat angles P-C4'-P energy: -40.743 tors. eta vs tors. theta energy: 18.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2625.170257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.170257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.170257 (E_RNA) where: Base-Base interactions energy: -1646.192 where: short stacking energy: -1002.197 Base-Backbone interact. energy: -5.472 local terms energy: -973.506273 where: bonds (distance) C4'-P energy: -194.818 bonds (distance) P-C4' energy: -183.195 flat angles C4'-P-C4' energy: -202.125 flat angles P-C4'-P energy: -140.539 tors. eta vs tors. theta energy: -252.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2409.217777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.217777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.217777 (E_RNA) where: Base-Base interactions energy: -1464.840 where: short stacking energy: -875.154 Base-Backbone interact. energy: -5.747 local terms energy: -938.630429 where: bonds (distance) C4'-P energy: -189.856 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -218.999 flat angles P-C4'-P energy: -134.792 tors. eta vs tors. theta energy: -227.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2162.467335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.467335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.467335 (E_RNA) where: Base-Base interactions energy: -1303.349 where: short stacking energy: -824.306 Base-Backbone interact. energy: 5.188 local terms energy: -864.306860 where: bonds (distance) C4'-P energy: -149.872 bonds (distance) P-C4' energy: -187.415 flat angles C4'-P-C4' energy: -207.133 flat angles P-C4'-P energy: -135.265 tors. eta vs tors. theta energy: -184.622 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: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1893.780200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.780200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.780200 (E_RNA) where: Base-Base interactions energy: -1135.786 where: short stacking energy: -688.380 Base-Backbone interact. energy: 2.005 local terms energy: -759.998892 where: bonds (distance) C4'-P energy: -173.958 bonds (distance) P-C4' energy: -177.910 flat angles C4'-P-C4' energy: -165.509 flat angles P-C4'-P energy: -113.039 tors. eta vs tors. theta energy: -129.584 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: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1494.232694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.232694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.232694 (E_RNA) where: Base-Base interactions energy: -821.240 where: short stacking energy: -591.997 Base-Backbone interact. energy: -0.170 local terms energy: -672.822575 where: bonds (distance) C4'-P energy: -154.666 bonds (distance) P-C4' energy: -164.660 flat angles C4'-P-C4' energy: -157.830 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -97.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1371.252617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.252617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.252617 (E_RNA) where: Base-Base interactions energy: -715.326 where: short stacking energy: -505.275 Base-Backbone interact. energy: 2.588 local terms energy: -658.515349 where: bonds (distance) C4'-P energy: -162.975 bonds (distance) P-C4' energy: -172.961 flat angles C4'-P-C4' energy: -156.599 flat angles P-C4'-P energy: -92.151 tors. eta vs tors. theta energy: -73.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1159.021452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.021452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.021452 (E_RNA) where: Base-Base interactions energy: -543.055 where: short stacking energy: -452.988 Base-Backbone interact. energy: 2.715 local terms energy: -618.681287 where: bonds (distance) C4'-P energy: -158.184 bonds (distance) P-C4' energy: -169.357 flat angles C4'-P-C4' energy: -131.954 flat angles P-C4'-P energy: -104.071 tors. eta vs tors. theta energy: -55.115 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: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -986.979506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.979506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.979506 (E_RNA) where: Base-Base interactions energy: -395.890 where: short stacking energy: -326.239 Base-Backbone interact. energy: 1.060 local terms energy: -592.149415 where: bonds (distance) C4'-P energy: -144.023 bonds (distance) P-C4' energy: -172.750 flat angles C4'-P-C4' energy: -160.235 flat angles P-C4'-P energy: -88.809 tors. eta vs tors. theta energy: -26.333 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: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -888.753221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.753221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.753221 (E_RNA) where: Base-Base interactions energy: -392.446 where: short stacking energy: -330.926 Base-Backbone interact. energy: -1.508 local terms energy: -494.799185 where: bonds (distance) C4'-P energy: -144.756 bonds (distance) P-C4' energy: -147.223 flat angles C4'-P-C4' energy: -136.715 flat angles P-C4'-P energy: -67.918 tors. eta vs tors. theta energy: 1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -740.520686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.520686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.520686 (E_RNA) where: Base-Base interactions energy: -326.275 where: short stacking energy: -286.992 Base-Backbone interact. energy: 7.036 local terms energy: -421.281766 where: bonds (distance) C4'-P energy: -154.765 bonds (distance) P-C4' energy: -142.445 flat angles C4'-P-C4' energy: -106.836 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: 29.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2515.199794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.199794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.199794 (E_RNA) where: Base-Base interactions energy: -1551.495 where: short stacking energy: -969.207 Base-Backbone interact. energy: -2.363 local terms energy: -961.341790 where: bonds (distance) C4'-P energy: -181.416 bonds (distance) P-C4' energy: -184.108 flat angles C4'-P-C4' energy: -205.328 flat angles P-C4'-P energy: -142.345 tors. eta vs tors. theta energy: -248.145 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: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2397.960685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.960685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.960685 (E_RNA) where: Base-Base interactions energy: -1487.305 where: short stacking energy: -887.396 Base-Backbone interact. energy: -2.789 local terms energy: -907.866586 where: bonds (distance) C4'-P energy: -174.394 bonds (distance) P-C4' energy: -184.291 flat angles C4'-P-C4' energy: -191.035 flat angles P-C4'-P energy: -126.803 tors. eta vs tors. theta energy: -231.344 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: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2157.805847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.805847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.805847 (E_RNA) where: Base-Base interactions energy: -1326.207 where: short stacking energy: -805.694 Base-Backbone interact. energy: -4.664 local terms energy: -826.935359 where: bonds (distance) C4'-P energy: -163.788 bonds (distance) P-C4' energy: -172.205 flat angles C4'-P-C4' energy: -193.113 flat angles P-C4'-P energy: -114.416 tors. eta vs tors. theta energy: -183.414 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: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1980.672472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.672472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.672472 (E_RNA) where: Base-Base interactions energy: -1208.375 where: short stacking energy: -741.572 Base-Backbone interact. energy: -4.001 local terms energy: -768.296443 where: bonds (distance) C4'-P energy: -154.797 bonds (distance) P-C4' energy: -164.621 flat angles C4'-P-C4' energy: -170.442 flat angles P-C4'-P energy: -107.531 tors. eta vs tors. theta energy: -170.905 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: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1532.834565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.834565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.834565 (E_RNA) where: Base-Base interactions energy: -849.153 where: short stacking energy: -600.095 Base-Backbone interact. energy: -5.279 local terms energy: -678.401719 where: bonds (distance) C4'-P energy: -156.249 bonds (distance) P-C4' energy: -147.246 flat angles C4'-P-C4' energy: -177.649 flat angles P-C4'-P energy: -93.900 tors. eta vs tors. theta energy: -103.358 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: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1309.606237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.606237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.606237 (E_RNA) where: Base-Base interactions energy: -667.980 where: short stacking energy: -477.944 Base-Backbone interact. energy: 0.450 local terms energy: -642.076526 where: bonds (distance) C4'-P energy: -160.414 bonds (distance) P-C4' energy: -151.283 flat angles C4'-P-C4' energy: -151.915 flat angles P-C4'-P energy: -130.057 tors. eta vs tors. theta energy: -48.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1084.143552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.143552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.143552 (E_RNA) where: Base-Base interactions energy: -492.223 where: short stacking energy: -424.785 Base-Backbone interact. energy: 3.326 local terms energy: -595.246682 where: bonds (distance) C4'-P energy: -168.366 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -147.886 flat angles P-C4'-P energy: -99.940 tors. eta vs tors. theta energy: -29.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -878.082271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.082271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.082271 (E_RNA) where: Base-Base interactions energy: -342.982 where: short stacking energy: -311.339 Base-Backbone interact. energy: -1.343 local terms energy: -533.757361 where: bonds (distance) C4'-P energy: -158.108 bonds (distance) P-C4' energy: -140.545 flat angles C4'-P-C4' energy: -143.203 flat angles P-C4'-P energy: -89.098 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -797.204374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.204374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.204374 (E_RNA) where: Base-Base interactions energy: -316.302 where: short stacking energy: -264.157 Base-Backbone interact. energy: 1.385 local terms energy: -482.286904 where: bonds (distance) C4'-P energy: -145.920 bonds (distance) P-C4' energy: -164.940 flat angles C4'-P-C4' energy: -124.012 flat angles P-C4'-P energy: -71.721 tors. eta vs tors. theta energy: 24.306 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: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -792.889428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.889428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.889428 (E_RNA) where: Base-Base interactions energy: -305.831 where: short stacking energy: -266.416 Base-Backbone interact. energy: 5.405 local terms energy: -492.464097 where: bonds (distance) C4'-P energy: -157.173 bonds (distance) P-C4' energy: -160.248 flat angles C4'-P-C4' energy: -126.924 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: 19.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2499.605522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.605522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.605522 (E_RNA) where: Base-Base interactions energy: -1583.707 where: short stacking energy: -959.745 Base-Backbone interact. energy: -1.975 local terms energy: -913.923362 where: bonds (distance) C4'-P energy: -165.817 bonds (distance) P-C4' energy: -178.872 flat angles C4'-P-C4' energy: -200.579 flat angles P-C4'-P energy: -119.767 tors. eta vs tors. theta energy: -248.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2399.966690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.966690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.966690 (E_RNA) where: Base-Base interactions energy: -1483.673 where: short stacking energy: -900.500 Base-Backbone interact. energy: -0.355 local terms energy: -915.938408 where: bonds (distance) C4'-P energy: -170.963 bonds (distance) P-C4' energy: -175.870 flat angles C4'-P-C4' energy: -197.403 flat angles P-C4'-P energy: -131.433 tors. eta vs tors. theta energy: -240.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2130.775457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.775457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.775457 (E_RNA) where: Base-Base interactions energy: -1304.464 where: short stacking energy: -771.635 Base-Backbone interact. energy: -2.159 local terms energy: -824.152421 where: bonds (distance) C4'-P energy: -161.491 bonds (distance) P-C4' energy: -178.965 flat angles C4'-P-C4' energy: -187.764 flat angles P-C4'-P energy: -121.523 tors. eta vs tors. theta energy: -174.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1944.456710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.456710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.456710 (E_RNA) where: Base-Base interactions energy: -1135.681 where: short stacking energy: -704.906 Base-Backbone interact. energy: -2.473 local terms energy: -806.303443 where: bonds (distance) C4'-P energy: -173.421 bonds (distance) P-C4' energy: -164.189 flat angles C4'-P-C4' energy: -185.069 flat angles P-C4'-P energy: -112.608 tors. eta vs tors. theta energy: -171.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1552.524293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.524293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.524293 (E_RNA) where: Base-Base interactions energy: -841.251 where: short stacking energy: -562.618 Base-Backbone interact. energy: -2.932 local terms energy: -708.340367 where: bonds (distance) C4'-P energy: -170.978 bonds (distance) P-C4' energy: -168.664 flat angles C4'-P-C4' energy: -168.874 flat angles P-C4'-P energy: -107.080 tors. eta vs tors. theta energy: -92.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1183.262084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.262084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.262084 (E_RNA) where: Base-Base interactions energy: -539.359 where: short stacking energy: -459.006 Base-Backbone interact. energy: 2.174 local terms energy: -646.077176 where: bonds (distance) C4'-P energy: -143.357 bonds (distance) P-C4' energy: -170.427 flat angles C4'-P-C4' energy: -154.939 flat angles P-C4'-P energy: -120.835 tors. eta vs tors. theta energy: -56.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1190.690716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.690716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.690716 (E_RNA) where: Base-Base interactions energy: -586.565 where: short stacking energy: -405.356 Base-Backbone interact. energy: 1.443 local terms energy: -605.567973 where: bonds (distance) C4'-P energy: -158.256 bonds (distance) P-C4' energy: -166.552 flat angles C4'-P-C4' energy: -142.433 flat angles P-C4'-P energy: -104.380 tors. eta vs tors. theta energy: -33.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -939.703765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.703765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.703765 (E_RNA) where: Base-Base interactions energy: -409.967 where: short stacking energy: -362.322 Base-Backbone interact. energy: -2.702 local terms energy: -527.034984 where: bonds (distance) C4'-P energy: -147.543 bonds (distance) P-C4' energy: -157.026 flat angles C4'-P-C4' energy: -130.334 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: -12.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -836.902235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.902235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.902235 (E_RNA) where: Base-Base interactions energy: -368.453 where: short stacking energy: -292.513 Base-Backbone interact. energy: 8.628 local terms energy: -477.077385 where: bonds (distance) C4'-P energy: -137.688 bonds (distance) P-C4' energy: -142.604 flat angles C4'-P-C4' energy: -144.136 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: 23.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -772.238631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.238631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.238631 (E_RNA) where: Base-Base interactions energy: -295.619 where: short stacking energy: -278.519 Base-Backbone interact. energy: -1.267 local terms energy: -475.352964 where: bonds (distance) C4'-P energy: -136.452 bonds (distance) P-C4' energy: -137.992 flat angles C4'-P-C4' energy: -125.879 flat angles P-C4'-P energy: -66.060 tors. eta vs tors. theta energy: -8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2574.244767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.244767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.244767 (E_RNA) where: Base-Base interactions energy: -1620.091 where: short stacking energy: -994.009 Base-Backbone interact. energy: -1.207 local terms energy: -952.947738 where: bonds (distance) C4'-P energy: -177.146 bonds (distance) P-C4' energy: -193.450 flat angles C4'-P-C4' energy: -192.801 flat angles P-C4'-P energy: -135.273 tors. eta vs tors. theta energy: -254.278 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: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2462.780365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.780365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.780365 (E_RNA) where: Base-Base interactions energy: -1546.404 where: short stacking energy: -903.615 Base-Backbone interact. energy: -3.705 local terms energy: -912.671319 where: bonds (distance) C4'-P energy: -170.247 bonds (distance) P-C4' energy: -169.330 flat angles C4'-P-C4' energy: -204.828 flat angles P-C4'-P energy: -124.813 tors. eta vs tors. theta energy: -243.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2172.383489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.383489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.383489 (E_RNA) where: Base-Base interactions energy: -1338.901 where: short stacking energy: -818.780 Base-Backbone interact. energy: -1.931 local terms energy: -831.551191 where: bonds (distance) C4'-P energy: -163.531 bonds (distance) P-C4' energy: -167.937 flat angles C4'-P-C4' energy: -187.903 flat angles P-C4'-P energy: -135.226 tors. eta vs tors. theta energy: -176.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2003.313424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.313424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.313424 (E_RNA) where: Base-Base interactions energy: -1223.998 where: short stacking energy: -731.258 Base-Backbone interact. energy: -1.364 local terms energy: -777.951214 where: bonds (distance) C4'-P energy: -158.604 bonds (distance) P-C4' energy: -174.139 flat angles C4'-P-C4' energy: -176.446 flat angles P-C4'-P energy: -120.694 tors. eta vs tors. theta energy: -148.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1612.749471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.749471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.749471 (E_RNA) where: Base-Base interactions energy: -931.829 where: short stacking energy: -588.700 Base-Backbone interact. energy: -2.946 local terms energy: -677.975084 where: bonds (distance) C4'-P energy: -130.554 bonds (distance) P-C4' energy: -168.995 flat angles C4'-P-C4' energy: -160.143 flat angles P-C4'-P energy: -114.357 tors. eta vs tors. theta energy: -103.926 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: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1241.820177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.820177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.820177 (E_RNA) where: Base-Base interactions energy: -614.099 where: short stacking energy: -518.634 Base-Backbone interact. energy: -0.167 local terms energy: -627.554517 where: bonds (distance) C4'-P energy: -153.617 bonds (distance) P-C4' energy: -156.698 flat angles C4'-P-C4' energy: -148.890 flat angles P-C4'-P energy: -93.148 tors. eta vs tors. theta energy: -75.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1197.147107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.147107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.147107 (E_RNA) where: Base-Base interactions energy: -567.680 where: short stacking energy: -392.704 Base-Backbone interact. energy: -0.443 local terms energy: -629.024287 where: bonds (distance) C4'-P energy: -159.892 bonds (distance) P-C4' energy: -158.158 flat angles C4'-P-C4' energy: -158.285 flat angles P-C4'-P energy: -115.044 tors. eta vs tors. theta energy: -37.644 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: 8, replica: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -961.315719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.315719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.315719 (E_RNA) where: Base-Base interactions energy: -400.601 where: short stacking energy: -322.178 Base-Backbone interact. energy: 0.079 local terms energy: -560.793456 where: bonds (distance) C4'-P energy: -150.406 bonds (distance) P-C4' energy: -157.161 flat angles C4'-P-C4' energy: -150.785 flat angles P-C4'-P energy: -86.857 tors. eta vs tors. theta energy: -15.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -872.746919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.746919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.746919 (E_RNA) where: Base-Base interactions energy: -362.141 where: short stacking energy: -319.328 Base-Backbone interact. energy: -0.667 local terms energy: -509.939258 where: bonds (distance) C4'-P energy: -132.116 bonds (distance) P-C4' energy: -170.365 flat angles C4'-P-C4' energy: -140.362 flat angles P-C4'-P energy: -68.085 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -740.383990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.383990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.383990 (E_RNA) where: Base-Base interactions energy: -316.966 where: short stacking energy: -257.725 Base-Backbone interact. energy: 10.108 local terms energy: -433.525681 where: bonds (distance) C4'-P energy: -137.966 bonds (distance) P-C4' energy: -139.922 flat angles C4'-P-C4' energy: -113.886 flat angles P-C4'-P energy: -65.650 tors. eta vs tors. theta energy: 23.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2561.239639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.239639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.239639 (E_RNA) where: Base-Base interactions energy: -1596.296 where: short stacking energy: -975.259 Base-Backbone interact. energy: -7.442 local terms energy: -957.501550 where: bonds (distance) C4'-P energy: -171.491 bonds (distance) P-C4' energy: -180.240 flat angles C4'-P-C4' energy: -217.541 flat angles P-C4'-P energy: -134.345 tors. eta vs tors. theta energy: -253.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2409.409922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.409922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.409922 (E_RNA) where: Base-Base interactions energy: -1498.204 where: short stacking energy: -905.740 Base-Backbone interact. energy: -2.081 local terms energy: -909.124711 where: bonds (distance) C4'-P energy: -192.255 bonds (distance) P-C4' energy: -181.778 flat angles C4'-P-C4' energy: -191.693 flat angles P-C4'-P energy: -115.417 tors. eta vs tors. theta energy: -227.982 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: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2148.232494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.232494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.232494 (E_RNA) where: Base-Base interactions energy: -1310.009 where: short stacking energy: -793.479 Base-Backbone interact. energy: -3.857 local terms energy: -834.367425 where: bonds (distance) C4'-P energy: -166.685 bonds (distance) P-C4' energy: -170.651 flat angles C4'-P-C4' energy: -196.927 flat angles P-C4'-P energy: -122.571 tors. eta vs tors. theta energy: -177.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1960.458159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.458159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.458159 (E_RNA) where: Base-Base interactions energy: -1188.897 where: short stacking energy: -743.204 Base-Backbone interact. energy: -1.695 local terms energy: -769.866060 where: bonds (distance) C4'-P energy: -158.916 bonds (distance) P-C4' energy: -172.406 flat angles C4'-P-C4' energy: -186.318 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -152.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1587.811485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.811485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.811485 (E_RNA) where: Base-Base interactions energy: -912.123 where: short stacking energy: -589.682 Base-Backbone interact. energy: 5.760 local terms energy: -681.448875 where: bonds (distance) C4'-P energy: -173.249 bonds (distance) P-C4' energy: -157.028 flat angles C4'-P-C4' energy: -157.397 flat angles P-C4'-P energy: -94.646 tors. eta vs tors. theta energy: -99.129 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: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1230.086762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.086762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.086762 (E_RNA) where: Base-Base interactions energy: -570.585 where: short stacking energy: -443.427 Base-Backbone interact. energy: -2.000 local terms energy: -657.502494 where: bonds (distance) C4'-P energy: -174.308 bonds (distance) P-C4' energy: -173.932 flat angles C4'-P-C4' energy: -164.652 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -47.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1152.163903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.163903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.163903 (E_RNA) where: Base-Base interactions energy: -564.248 where: short stacking energy: -400.384 Base-Backbone interact. energy: -3.346 local terms energy: -584.569866 where: bonds (distance) C4'-P energy: -167.232 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -138.288 flat angles P-C4'-P energy: -96.331 tors. eta vs tors. theta energy: -35.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -874.898144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.898144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.898144 (E_RNA) where: Base-Base interactions energy: -365.618 where: short stacking energy: -313.235 Base-Backbone interact. energy: 1.119 local terms energy: -510.398285 where: bonds (distance) C4'-P energy: -151.443 bonds (distance) P-C4' energy: -162.144 flat angles C4'-P-C4' energy: -145.326 flat angles P-C4'-P energy: -67.866 tors. eta vs tors. theta energy: 16.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -858.098883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.098883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.098883 (E_RNA) where: Base-Base interactions energy: -355.021 where: short stacking energy: -305.470 Base-Backbone interact. energy: 0.891 local terms energy: -503.968665 where: bonds (distance) C4'-P energy: -142.744 bonds (distance) P-C4' energy: -154.793 flat angles C4'-P-C4' energy: -141.778 flat angles P-C4'-P energy: -79.322 tors. eta vs tors. theta energy: 14.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -761.283941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.283941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.283941 (E_RNA) where: Base-Base interactions energy: -282.006 where: short stacking energy: -249.650 Base-Backbone interact. energy: -0.424 local terms energy: -478.854552 where: bonds (distance) C4'-P energy: -129.604 bonds (distance) P-C4' energy: -144.862 flat angles C4'-P-C4' energy: -135.192 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: 9.238 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: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2569.170606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.170606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.170606 (E_RNA) where: Base-Base interactions energy: -1626.360 where: short stacking energy: -977.635 Base-Backbone interact. energy: -4.883 local terms energy: -937.927248 where: bonds (distance) C4'-P energy: -185.285 bonds (distance) P-C4' energy: -170.299 flat angles C4'-P-C4' energy: -207.752 flat angles P-C4'-P energy: -140.726 tors. eta vs tors. theta energy: -233.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2411.097416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.097416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.097416 (E_RNA) where: Base-Base interactions energy: -1504.478 where: short stacking energy: -881.809 Base-Backbone interact. energy: -2.836 local terms energy: -903.783930 where: bonds (distance) C4'-P energy: -182.144 bonds (distance) P-C4' energy: -175.483 flat angles C4'-P-C4' energy: -182.670 flat angles P-C4'-P energy: -127.079 tors. eta vs tors. theta energy: -236.409 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: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2158.791191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.791191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.791191 (E_RNA) where: Base-Base interactions energy: -1329.713 where: short stacking energy: -816.827 Base-Backbone interact. energy: 3.832 local terms energy: -832.910250 where: bonds (distance) C4'-P energy: -181.580 bonds (distance) P-C4' energy: -169.757 flat angles C4'-P-C4' energy: -188.538 flat angles P-C4'-P energy: -126.707 tors. eta vs tors. theta energy: -166.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2021.400835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.400835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.400835 (E_RNA) where: Base-Base interactions energy: -1204.101 where: short stacking energy: -751.019 Base-Backbone interact. energy: -2.097 local terms energy: -815.202983 where: bonds (distance) C4'-P energy: -157.306 bonds (distance) P-C4' energy: -182.315 flat angles C4'-P-C4' energy: -177.721 flat angles P-C4'-P energy: -119.390 tors. eta vs tors. theta energy: -178.471 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: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1602.929152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.929152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.929152 (E_RNA) where: Base-Base interactions energy: -916.091 where: short stacking energy: -588.578 Base-Backbone interact. energy: 1.217 local terms energy: -688.055182 where: bonds (distance) C4'-P energy: -168.085 bonds (distance) P-C4' energy: -159.642 flat angles C4'-P-C4' energy: -161.893 flat angles P-C4'-P energy: -103.364 tors. eta vs tors. theta energy: -95.072 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: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1197.661660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.661660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.661660 (E_RNA) where: Base-Base interactions energy: -571.665 where: short stacking energy: -464.118 Base-Backbone interact. energy: -1.840 local terms energy: -624.157102 where: bonds (distance) C4'-P energy: -138.107 bonds (distance) P-C4' energy: -176.133 flat angles C4'-P-C4' energy: -176.060 flat angles P-C4'-P energy: -96.140 tors. eta vs tors. theta energy: -37.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1156.053889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.053889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.053889 (E_RNA) where: Base-Base interactions energy: -577.181 where: short stacking energy: -424.027 Base-Backbone interact. energy: 1.429 local terms energy: -580.301172 where: bonds (distance) C4'-P energy: -155.201 bonds (distance) P-C4' energy: -163.179 flat angles C4'-P-C4' energy: -139.308 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -43.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -918.928445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.928445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.928445 (E_RNA) where: Base-Base interactions energy: -371.006 where: short stacking energy: -333.602 Base-Backbone interact. energy: -2.160 local terms energy: -545.763021 where: bonds (distance) C4'-P energy: -138.490 bonds (distance) P-C4' energy: -157.424 flat angles C4'-P-C4' energy: -147.660 flat angles P-C4'-P energy: -77.105 tors. eta vs tors. theta energy: -25.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -835.436850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.436850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.436850 (E_RNA) where: Base-Base interactions energy: -334.177 where: short stacking energy: -307.319 Base-Backbone interact. energy: -2.779 local terms energy: -498.480353 where: bonds (distance) C4'-P energy: -153.977 bonds (distance) P-C4' energy: -124.146 flat angles C4'-P-C4' energy: -123.198 flat angles P-C4'-P energy: -82.655 tors. eta vs tors. theta energy: -14.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -740.687014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.687014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.687014 (E_RNA) where: Base-Base interactions energy: -279.823 where: short stacking energy: -256.760 Base-Backbone interact. energy: 8.999 local terms energy: -469.863276 where: bonds (distance) C4'-P energy: -138.865 bonds (distance) P-C4' energy: -176.796 flat angles C4'-P-C4' energy: -121.513 flat angles P-C4'-P energy: -53.257 tors. eta vs tors. theta energy: 20.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2512.938534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.938534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.938534 (E_RNA) where: Base-Base interactions energy: -1593.613 where: short stacking energy: -970.393 Base-Backbone interact. energy: -0.792 local terms energy: -918.534399 where: bonds (distance) C4'-P energy: -182.635 bonds (distance) P-C4' energy: -170.004 flat angles C4'-P-C4' energy: -201.293 flat angles P-C4'-P energy: -119.553 tors. eta vs tors. theta energy: -245.050 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: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2403.506656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.506656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.506656 (E_RNA) where: Base-Base interactions energy: -1479.805 where: short stacking energy: -878.986 Base-Backbone interact. energy: -1.277 local terms energy: -922.424556 where: bonds (distance) C4'-P energy: -170.514 bonds (distance) P-C4' energy: -185.229 flat angles C4'-P-C4' energy: -203.939 flat angles P-C4'-P energy: -132.392 tors. eta vs tors. theta energy: -230.351 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: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2131.488537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.488537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.488537 (E_RNA) where: Base-Base interactions energy: -1315.398 where: short stacking energy: -783.251 Base-Backbone interact. energy: 0.068 local terms energy: -816.158834 where: bonds (distance) C4'-P energy: -164.122 bonds (distance) P-C4' energy: -165.341 flat angles C4'-P-C4' energy: -207.141 flat angles P-C4'-P energy: -125.842 tors. eta vs tors. theta energy: -153.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1949.542491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.542491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.542491 (E_RNA) where: Base-Base interactions energy: -1191.355 where: short stacking energy: -718.289 Base-Backbone interact. energy: -4.080 local terms energy: -754.106938 where: bonds (distance) C4'-P energy: -163.616 bonds (distance) P-C4' energy: -161.368 flat angles C4'-P-C4' energy: -183.320 flat angles P-C4'-P energy: -111.018 tors. eta vs tors. theta energy: -134.785 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: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1604.964339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.964339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.964339 (E_RNA) where: Base-Base interactions energy: -923.511 where: short stacking energy: -616.319 Base-Backbone interact. energy: -3.040 local terms energy: -678.413335 where: bonds (distance) C4'-P energy: -149.045 bonds (distance) P-C4' energy: -154.980 flat angles C4'-P-C4' energy: -163.774 flat angles P-C4'-P energy: -113.011 tors. eta vs tors. theta energy: -97.603 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: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1202.753617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.753617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.753617 (E_RNA) where: Base-Base interactions energy: -579.204 where: short stacking energy: -464.196 Base-Backbone interact. energy: 0.403 local terms energy: -623.953240 where: bonds (distance) C4'-P energy: -148.206 bonds (distance) P-C4' energy: -161.697 flat angles C4'-P-C4' energy: -169.203 flat angles P-C4'-P energy: -94.207 tors. eta vs tors. theta energy: -50.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1107.356302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.356302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.356302 (E_RNA) where: Base-Base interactions energy: -524.780 where: short stacking energy: -426.701 Base-Backbone interact. energy: 1.178 local terms energy: -583.754712 where: bonds (distance) C4'-P energy: -159.497 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -164.405 flat angles P-C4'-P energy: -80.420 tors. eta vs tors. theta energy: -28.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -927.014010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.014010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.014010 (E_RNA) where: Base-Base interactions energy: -400.225 where: short stacking energy: -326.037 Base-Backbone interact. energy: 2.535 local terms energy: -529.324383 where: bonds (distance) C4'-P energy: -164.665 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -133.893 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -823.565795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.565795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.565795 (E_RNA) where: Base-Base interactions energy: -309.887 where: short stacking energy: -260.305 Base-Backbone interact. energy: -2.602 local terms energy: -511.076750 where: bonds (distance) C4'-P energy: -150.105 bonds (distance) P-C4' energy: -162.282 flat angles C4'-P-C4' energy: -127.235 flat angles P-C4'-P energy: -96.042 tors. eta vs tors. theta energy: 24.588 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: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -715.485881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.485881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.485881 (E_RNA) where: Base-Base interactions energy: -266.660 where: short stacking energy: -240.265 Base-Backbone interact. energy: 1.297 local terms energy: -450.123399 where: bonds (distance) C4'-P energy: -147.143 bonds (distance) P-C4' energy: -134.278 flat angles C4'-P-C4' energy: -114.626 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: 24.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2520.244324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.244324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.244324 (E_RNA) where: Base-Base interactions energy: -1574.449 where: short stacking energy: -945.948 Base-Backbone interact. energy: -7.025 local terms energy: -938.769989 where: bonds (distance) C4'-P energy: -176.325 bonds (distance) P-C4' energy: -176.668 flat angles C4'-P-C4' energy: -214.711 flat angles P-C4'-P energy: -140.557 tors. eta vs tors. theta energy: -230.509 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: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2400.717243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.717243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.717243 (E_RNA) where: Base-Base interactions energy: -1496.934 where: short stacking energy: -900.119 Base-Backbone interact. energy: -0.169 local terms energy: -903.614057 where: bonds (distance) C4'-P energy: -176.365 bonds (distance) P-C4' energy: -194.723 flat angles C4'-P-C4' energy: -195.946 flat angles P-C4'-P energy: -129.316 tors. eta vs tors. theta energy: -207.264 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: 378 Temperature: 1.000000 Total energy: -2164.671983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.671983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.671983 (E_RNA) where: Base-Base interactions energy: -1311.890 where: short stacking energy: -781.779 Base-Backbone interact. energy: -3.752 local terms energy: -849.029723 where: bonds (distance) C4'-P energy: -165.583 bonds (distance) P-C4' energy: -178.237 flat angles C4'-P-C4' energy: -190.568 flat angles P-C4'-P energy: -123.547 tors. eta vs tors. theta energy: -191.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1928.970782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.970782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.970782 (E_RNA) where: Base-Base interactions energy: -1143.314 where: short stacking energy: -699.855 Base-Backbone interact. energy: 0.421 local terms energy: -786.078284 where: bonds (distance) C4'-P energy: -158.030 bonds (distance) P-C4' energy: -174.717 flat angles C4'-P-C4' energy: -181.744 flat angles P-C4'-P energy: -118.174 tors. eta vs tors. theta energy: -153.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1629.084915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.084915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.084915 (E_RNA) where: Base-Base interactions energy: -890.494 where: short stacking energy: -598.421 Base-Backbone interact. energy: -3.621 local terms energy: -734.970386 where: bonds (distance) C4'-P energy: -170.086 bonds (distance) P-C4' energy: -169.381 flat angles C4'-P-C4' energy: -168.207 flat angles P-C4'-P energy: -110.310 tors. eta vs tors. theta energy: -116.987 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: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1218.097121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.097121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.097121 (E_RNA) where: Base-Base interactions energy: -626.485 where: short stacking energy: -485.375 Base-Backbone interact. energy: -4.488 local terms energy: -587.124012 where: bonds (distance) C4'-P energy: -138.509 bonds (distance) P-C4' energy: -156.753 flat angles C4'-P-C4' energy: -156.019 flat angles P-C4'-P energy: -75.596 tors. eta vs tors. theta energy: -60.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1105.030987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.030987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.030987 (E_RNA) where: Base-Base interactions energy: -511.593 where: short stacking energy: -399.469 Base-Backbone interact. energy: -0.635 local terms energy: -592.802753 where: bonds (distance) C4'-P energy: -155.921 bonds (distance) P-C4' energy: -150.614 flat angles C4'-P-C4' energy: -152.596 flat angles P-C4'-P energy: -90.064 tors. eta vs tors. theta energy: -43.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -981.840837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.840837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.840837 (E_RNA) where: Base-Base interactions energy: -474.258 where: short stacking energy: -359.490 Base-Backbone interact. energy: -0.826 local terms energy: -506.757111 where: bonds (distance) C4'-P energy: -138.515 bonds (distance) P-C4' energy: -159.805 flat angles C4'-P-C4' energy: -140.806 flat angles P-C4'-P energy: -71.616 tors. eta vs tors. theta energy: 3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -862.535082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.535082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.535082 (E_RNA) where: Base-Base interactions energy: -360.558 where: short stacking energy: -335.380 Base-Backbone interact. energy: 4.440 local terms energy: -506.417865 where: bonds (distance) C4'-P energy: -164.377 bonds (distance) P-C4' energy: -157.809 flat angles C4'-P-C4' energy: -112.253 flat angles P-C4'-P energy: -67.596 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -774.139990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.139990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.139990 (E_RNA) where: Base-Base interactions energy: -322.171 where: short stacking energy: -272.427 Base-Backbone interact. energy: 8.519 local terms energy: -460.488636 where: bonds (distance) C4'-P energy: -143.300 bonds (distance) P-C4' energy: -143.437 flat angles C4'-P-C4' energy: -117.894 flat angles P-C4'-P energy: -67.383 tors. eta vs tors. theta energy: 11.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2499.816063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.816063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.816063 (E_RNA) where: Base-Base interactions energy: -1562.892 where: short stacking energy: -942.305 Base-Backbone interact. energy: -2.777 local terms energy: -934.146333 where: bonds (distance) C4'-P energy: -188.935 bonds (distance) P-C4' energy: -189.129 flat angles C4'-P-C4' energy: -205.328 flat angles P-C4'-P energy: -119.711 tors. eta vs tors. theta energy: -231.043 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: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2394.589641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.589641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.589641 (E_RNA) where: Base-Base interactions energy: -1494.518 where: short stacking energy: -907.287 Base-Backbone interact. energy: -3.048 local terms energy: -897.023277 where: bonds (distance) C4'-P energy: -166.801 bonds (distance) P-C4' energy: -180.710 flat angles C4'-P-C4' energy: -197.920 flat angles P-C4'-P energy: -122.087 tors. eta vs tors. theta energy: -229.505 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: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2189.936269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.936269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.936269 (E_RNA) where: Base-Base interactions energy: -1349.592 where: short stacking energy: -794.706 Base-Backbone interact. energy: -2.947 local terms energy: -837.397326 where: bonds (distance) C4'-P energy: -167.673 bonds (distance) P-C4' energy: -183.504 flat angles C4'-P-C4' energy: -187.892 flat angles P-C4'-P energy: -113.968 tors. eta vs tors. theta energy: -184.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1940.713056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.713056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.713056 (E_RNA) where: Base-Base interactions energy: -1132.817 where: short stacking energy: -715.904 Base-Backbone interact. energy: -2.358 local terms energy: -805.537997 where: bonds (distance) C4'-P energy: -182.977 bonds (distance) P-C4' energy: -180.296 flat angles C4'-P-C4' energy: -192.237 flat angles P-C4'-P energy: -96.489 tors. eta vs tors. theta energy: -153.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1597.200326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.200326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.200326 (E_RNA) where: Base-Base interactions energy: -903.477 where: short stacking energy: -603.676 Base-Backbone interact. energy: -1.172 local terms energy: -692.551098 where: bonds (distance) C4'-P energy: -161.814 bonds (distance) P-C4' energy: -156.126 flat angles C4'-P-C4' energy: -158.744 flat angles P-C4'-P energy: -103.501 tors. eta vs tors. theta energy: -112.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1314.221757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.221757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.221757 (E_RNA) where: Base-Base interactions energy: -637.552 where: short stacking energy: -495.408 Base-Backbone interact. energy: -2.730 local terms energy: -673.940158 where: bonds (distance) C4'-P energy: -165.441 bonds (distance) P-C4' energy: -173.805 flat angles C4'-P-C4' energy: -153.906 flat angles P-C4'-P energy: -101.098 tors. eta vs tors. theta energy: -79.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1054.881888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.881888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.881888 (E_RNA) where: Base-Base interactions energy: -418.288 where: short stacking energy: -368.985 Base-Backbone interact. energy: -0.053 local terms energy: -636.541295 where: bonds (distance) C4'-P energy: -170.386 bonds (distance) P-C4' energy: -176.750 flat angles C4'-P-C4' energy: -158.268 flat angles P-C4'-P energy: -102.487 tors. eta vs tors. theta energy: -28.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -956.359404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.359404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.359404 (E_RNA) where: Base-Base interactions energy: -439.713 where: short stacking energy: -335.176 Base-Backbone interact. energy: 1.597 local terms energy: -518.242961 where: bonds (distance) C4'-P energy: -144.626 bonds (distance) P-C4' energy: -168.732 flat angles C4'-P-C4' energy: -123.632 flat angles P-C4'-P energy: -74.757 tors. eta vs tors. theta energy: -6.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -831.127854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.127854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.127854 (E_RNA) where: Base-Base interactions energy: -350.033 where: short stacking energy: -312.082 Base-Backbone interact. energy: -0.979 local terms energy: -480.116100 where: bonds (distance) C4'-P energy: -136.329 bonds (distance) P-C4' energy: -155.822 flat angles C4'-P-C4' energy: -114.318 flat angles P-C4'-P energy: -75.872 tors. eta vs tors. theta energy: 2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -738.543014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.543014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.543014 (E_RNA) where: Base-Base interactions energy: -279.616 where: short stacking energy: -254.595 Base-Backbone interact. energy: -2.179 local terms energy: -456.747562 where: bonds (distance) C4'-P energy: -131.733 bonds (distance) P-C4' energy: -163.503 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -61.383 tors. eta vs tors. theta energy: 16.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2502.417488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.417488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.417488 (E_RNA) where: Base-Base interactions energy: -1563.431 where: short stacking energy: -943.190 Base-Backbone interact. energy: -4.068 local terms energy: -934.918045 where: bonds (distance) C4'-P energy: -178.163 bonds (distance) P-C4' energy: -168.031 flat angles C4'-P-C4' energy: -212.367 flat angles P-C4'-P energy: -146.282 tors. eta vs tors. theta energy: -230.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2444.564222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.564222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.564222 (E_RNA) where: Base-Base interactions energy: -1521.541 where: short stacking energy: -897.701 Base-Backbone interact. energy: -1.533 local terms energy: -921.490057 where: bonds (distance) C4'-P energy: -164.510 bonds (distance) P-C4' energy: -185.538 flat angles C4'-P-C4' energy: -211.508 flat angles P-C4'-P energy: -130.009 tors. eta vs tors. theta energy: -229.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2146.916162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.916162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.916162 (E_RNA) where: Base-Base interactions energy: -1309.912 where: short stacking energy: -769.495 Base-Backbone interact. energy: -0.845 local terms energy: -836.159397 where: bonds (distance) C4'-P energy: -159.849 bonds (distance) P-C4' energy: -189.752 flat angles C4'-P-C4' energy: -191.088 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -182.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1991.187860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.187860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.187860 (E_RNA) where: Base-Base interactions energy: -1209.099 where: short stacking energy: -753.559 Base-Backbone interact. energy: -0.851 local terms energy: -781.238254 where: bonds (distance) C4'-P energy: -169.297 bonds (distance) P-C4' energy: -159.989 flat angles C4'-P-C4' energy: -174.199 flat angles P-C4'-P energy: -110.187 tors. eta vs tors. theta energy: -167.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1607.086541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.086541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.086541 (E_RNA) where: Base-Base interactions energy: -908.350 where: short stacking energy: -606.598 Base-Backbone interact. energy: 0.940 local terms energy: -699.676973 where: bonds (distance) C4'-P energy: -166.839 bonds (distance) P-C4' energy: -176.805 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -104.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1321.465975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.465975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.465975 (E_RNA) where: Base-Base interactions energy: -675.756 where: short stacking energy: -506.886 Base-Backbone interact. energy: -1.600 local terms energy: -644.109593 where: bonds (distance) C4'-P energy: -149.766 bonds (distance) P-C4' energy: -156.894 flat angles C4'-P-C4' energy: -159.201 flat angles P-C4'-P energy: -112.939 tors. eta vs tors. theta energy: -65.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1012.568013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.568013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.568013 (E_RNA) where: Base-Base interactions energy: -470.952 where: short stacking energy: -370.103 Base-Backbone interact. energy: 0.563 local terms energy: -542.178190 where: bonds (distance) C4'-P energy: -136.552 bonds (distance) P-C4' energy: -169.427 flat angles C4'-P-C4' energy: -144.436 flat angles P-C4'-P energy: -81.902 tors. eta vs tors. theta energy: -9.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1024.942319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.942319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.942319 (E_RNA) where: Base-Base interactions energy: -471.726 where: short stacking energy: -376.674 Base-Backbone interact. energy: -1.010 local terms energy: -552.206410 where: bonds (distance) C4'-P energy: -123.838 bonds (distance) P-C4' energy: -167.584 flat angles C4'-P-C4' energy: -142.301 flat angles P-C4'-P energy: -78.398 tors. eta vs tors. theta energy: -40.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -840.904425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.904425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.904425 (E_RNA) where: Base-Base interactions energy: -360.024 where: short stacking energy: -324.143 Base-Backbone interact. energy: 2.402 local terms energy: -483.283139 where: bonds (distance) C4'-P energy: -163.136 bonds (distance) P-C4' energy: -139.604 flat angles C4'-P-C4' energy: -130.179 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: 11.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -728.106049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.106049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.106049 (E_RNA) where: Base-Base interactions energy: -237.739 where: short stacking energy: -210.616 Base-Backbone interact. energy: 2.282 local terms energy: -492.648610 where: bonds (distance) C4'-P energy: -150.770 bonds (distance) P-C4' energy: -156.585 flat angles C4'-P-C4' energy: -135.242 flat angles P-C4'-P energy: -89.929 tors. eta vs tors. theta energy: 39.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2483.475119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.475119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.475119 (E_RNA) where: Base-Base interactions energy: -1531.248 where: short stacking energy: -911.618 Base-Backbone interact. energy: -5.739 local terms energy: -946.488044 where: bonds (distance) C4'-P energy: -188.038 bonds (distance) P-C4' energy: -190.357 flat angles C4'-P-C4' energy: -200.528 flat angles P-C4'-P energy: -144.162 tors. eta vs tors. theta energy: -223.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2401.357361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.357361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.357361 (E_RNA) where: Base-Base interactions energy: -1495.010 where: short stacking energy: -874.532 Base-Backbone interact. energy: -3.618 local terms energy: -902.729623 where: bonds (distance) C4'-P energy: -164.449 bonds (distance) P-C4' energy: -182.500 flat angles C4'-P-C4' energy: -195.952 flat angles P-C4'-P energy: -139.972 tors. eta vs tors. theta energy: -219.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2127.373884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.373884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.373884 (E_RNA) where: Base-Base interactions energy: -1302.446 where: short stacking energy: -786.790 Base-Backbone interact. energy: -4.393 local terms energy: -820.535359 where: bonds (distance) C4'-P energy: -167.357 bonds (distance) P-C4' energy: -179.471 flat angles C4'-P-C4' energy: -191.011 flat angles P-C4'-P energy: -115.420 tors. eta vs tors. theta energy: -167.276 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: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2008.822669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.822669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.822669 (E_RNA) where: Base-Base interactions energy: -1209.417 where: short stacking energy: -735.649 Base-Backbone interact. energy: -0.581 local terms energy: -798.825121 where: bonds (distance) C4'-P energy: -162.397 bonds (distance) P-C4' energy: -169.101 flat angles C4'-P-C4' energy: -190.237 flat angles P-C4'-P energy: -124.375 tors. eta vs tors. theta energy: -152.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1593.148455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.148455 (E_RNA) where: Base-Base interactions energy: -892.779 where: short stacking energy: -566.176 Base-Backbone interact. energy: 3.631 local terms energy: -703.999964 where: bonds (distance) C4'-P energy: -170.289 bonds (distance) P-C4' energy: -171.421 flat angles C4'-P-C4' energy: -164.409 flat angles P-C4'-P energy: -98.695 tors. eta vs tors. theta energy: -99.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1235.831661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.831661 (E_RNA) where: Base-Base interactions energy: -647.363 where: short stacking energy: -478.677 Base-Backbone interact. energy: -1.570 local terms energy: -586.898635 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -154.379 flat angles C4'-P-C4' energy: -155.659 flat angles P-C4'-P energy: -90.508 tors. eta vs tors. theta energy: -40.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1068.581914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.581914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.581914 (E_RNA) where: Base-Base interactions energy: -460.143 where: short stacking energy: -435.202 Base-Backbone interact. energy: 0.501 local terms energy: -608.939335 where: bonds (distance) C4'-P energy: -149.536 bonds (distance) P-C4' energy: -163.793 flat angles C4'-P-C4' energy: -149.567 flat angles P-C4'-P energy: -102.941 tors. eta vs tors. theta energy: -43.102 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: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1017.478320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.478320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.478320 (E_RNA) where: Base-Base interactions energy: -514.701 where: short stacking energy: -393.923 Base-Backbone interact. energy: -4.803 local terms energy: -497.975113 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -143.678 flat angles C4'-P-C4' energy: -116.961 flat angles P-C4'-P energy: -95.538 tors. eta vs tors. theta energy: -42.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -877.742570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.742570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.742570 (E_RNA) where: Base-Base interactions energy: -366.333 where: short stacking energy: -300.639 Base-Backbone interact. energy: -1.141 local terms energy: -510.268776 where: bonds (distance) C4'-P energy: -131.875 bonds (distance) P-C4' energy: -171.243 flat angles C4'-P-C4' energy: -142.964 flat angles P-C4'-P energy: -62.091 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -702.516065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.516065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.516065 (E_RNA) where: Base-Base interactions energy: -272.882 where: short stacking energy: -257.831 Base-Backbone interact. energy: 4.641 local terms energy: -434.274270 where: bonds (distance) C4'-P energy: -146.128 bonds (distance) P-C4' energy: -146.029 flat angles C4'-P-C4' energy: -122.647 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: 24.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2480.242698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.242698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.242698 (E_RNA) where: Base-Base interactions energy: -1550.233 where: short stacking energy: -945.327 Base-Backbone interact. energy: -4.552 local terms energy: -925.457580 where: bonds (distance) C4'-P energy: -165.895 bonds (distance) P-C4' energy: -183.955 flat angles C4'-P-C4' energy: -202.475 flat angles P-C4'-P energy: -135.054 tors. eta vs tors. theta energy: -238.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2442.082880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.082880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.082880 (E_RNA) where: Base-Base interactions energy: -1543.309 where: short stacking energy: -910.662 Base-Backbone interact. energy: -4.630 local terms energy: -894.144428 where: bonds (distance) C4'-P energy: -164.133 bonds (distance) P-C4' energy: -185.078 flat angles C4'-P-C4' energy: -209.422 flat angles P-C4'-P energy: -112.562 tors. eta vs tors. theta energy: -222.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2094.827757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.827757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.827757 (E_RNA) where: Base-Base interactions energy: -1281.974 where: short stacking energy: -771.865 Base-Backbone interact. energy: -3.402 local terms energy: -809.451804 where: bonds (distance) C4'-P energy: -164.402 bonds (distance) P-C4' energy: -167.324 flat angles C4'-P-C4' energy: -178.891 flat angles P-C4'-P energy: -128.284 tors. eta vs tors. theta energy: -170.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1948.958009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.958009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.958009 (E_RNA) where: Base-Base interactions energy: -1160.669 where: short stacking energy: -715.954 Base-Backbone interact. energy: 0.324 local terms energy: -788.613238 where: bonds (distance) C4'-P energy: -161.943 bonds (distance) P-C4' energy: -160.243 flat angles C4'-P-C4' energy: -184.526 flat angles P-C4'-P energy: -127.164 tors. eta vs tors. theta energy: -154.737 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: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1645.364897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.364897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.364897 (E_RNA) where: Base-Base interactions energy: -932.539 where: short stacking energy: -602.907 Base-Backbone interact. energy: -1.081 local terms energy: -711.744833 where: bonds (distance) C4'-P energy: -164.014 bonds (distance) P-C4' energy: -175.828 flat angles C4'-P-C4' energy: -165.394 flat angles P-C4'-P energy: -104.850 tors. eta vs tors. theta energy: -101.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1345.584278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.584278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.584278 (E_RNA) where: Base-Base interactions energy: -712.673 where: short stacking energy: -510.335 Base-Backbone interact. energy: -3.193 local terms energy: -629.718478 where: bonds (distance) C4'-P energy: -158.656 bonds (distance) P-C4' energy: -146.975 flat angles C4'-P-C4' energy: -139.444 flat angles P-C4'-P energy: -98.440 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: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1119.751368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.751368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.751368 (E_RNA) where: Base-Base interactions energy: -525.877 where: short stacking energy: -420.966 Base-Backbone interact. energy: -0.443 local terms energy: -593.431402 where: bonds (distance) C4'-P energy: -151.634 bonds (distance) P-C4' energy: -157.013 flat angles C4'-P-C4' energy: -145.262 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: -58.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -951.565221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.565221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.565221 (E_RNA) where: Base-Base interactions energy: -443.790 where: short stacking energy: -381.537 Base-Backbone interact. energy: -0.123 local terms energy: -507.652531 where: bonds (distance) C4'-P energy: -131.751 bonds (distance) P-C4' energy: -159.046 flat angles C4'-P-C4' energy: -134.459 flat angles P-C4'-P energy: -96.651 tors. eta vs tors. theta energy: 14.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -909.184126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.184126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.184126 (E_RNA) where: Base-Base interactions energy: -398.013 where: short stacking energy: -337.717 Base-Backbone interact. energy: 0.679 local terms energy: -511.849968 where: bonds (distance) C4'-P energy: -138.824 bonds (distance) P-C4' energy: -162.966 flat angles C4'-P-C4' energy: -137.075 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: 3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -763.113399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.113399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.113399 (E_RNA) where: Base-Base interactions energy: -293.442 where: short stacking energy: -254.184 Base-Backbone interact. energy: -1.864 local terms energy: -467.807552 where: bonds (distance) C4'-P energy: -147.444 bonds (distance) P-C4' energy: -140.252 flat angles C4'-P-C4' energy: -131.382 flat angles P-C4'-P energy: -66.221 tors. eta vs tors. theta energy: 17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2493.835254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.835254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.835254 (E_RNA) where: Base-Base interactions energy: -1537.143 where: short stacking energy: -946.525 Base-Backbone interact. energy: -3.271 local terms energy: -953.421225 where: bonds (distance) C4'-P energy: -156.618 bonds (distance) P-C4' energy: -192.313 flat angles C4'-P-C4' energy: -218.291 flat angles P-C4'-P energy: -149.674 tors. eta vs tors. theta energy: -236.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2430.768415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.768415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.768415 (E_RNA) where: Base-Base interactions energy: -1519.857 where: short stacking energy: -889.111 Base-Backbone interact. energy: -4.360 local terms energy: -906.551366 where: bonds (distance) C4'-P energy: -165.623 bonds (distance) P-C4' energy: -184.343 flat angles C4'-P-C4' energy: -200.382 flat angles P-C4'-P energy: -130.084 tors. eta vs tors. theta energy: -226.120 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: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2138.880548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.880548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.880548 (E_RNA) where: Base-Base interactions energy: -1269.956 where: short stacking energy: -810.062 Base-Backbone interact. energy: -2.557 local terms energy: -866.367973 where: bonds (distance) C4'-P energy: -167.162 bonds (distance) P-C4' energy: -183.580 flat angles C4'-P-C4' energy: -207.439 flat angles P-C4'-P energy: -122.997 tors. eta vs tors. theta energy: -185.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1972.335673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.335673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.335673 (E_RNA) where: Base-Base interactions energy: -1221.453 where: short stacking energy: -721.349 Base-Backbone interact. energy: -0.931 local terms energy: -749.952107 where: bonds (distance) C4'-P energy: -143.623 bonds (distance) P-C4' energy: -162.384 flat angles C4'-P-C4' energy: -182.280 flat angles P-C4'-P energy: -118.286 tors. eta vs tors. theta energy: -143.379 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: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1563.516153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.516153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.516153 (E_RNA) where: Base-Base interactions energy: -881.315 where: short stacking energy: -574.704 Base-Backbone interact. energy: -1.386 local terms energy: -680.815544 where: bonds (distance) C4'-P energy: -160.614 bonds (distance) P-C4' energy: -168.962 flat angles C4'-P-C4' energy: -164.346 flat angles P-C4'-P energy: -86.510 tors. eta vs tors. theta energy: -100.384 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: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1366.625508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.625508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.625508 (E_RNA) where: Base-Base interactions energy: -744.293 where: short stacking energy: -558.429 Base-Backbone interact. energy: -1.732 local terms energy: -620.600345 where: bonds (distance) C4'-P energy: -150.501 bonds (distance) P-C4' energy: -151.326 flat angles C4'-P-C4' energy: -156.633 flat angles P-C4'-P energy: -87.635 tors. eta vs tors. theta energy: -74.505 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: 7, replica: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1140.715708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.715708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.715708 (E_RNA) where: Base-Base interactions energy: -559.739 where: short stacking energy: -423.499 Base-Backbone interact. energy: -4.537 local terms energy: -576.439385 where: bonds (distance) C4'-P energy: -145.029 bonds (distance) P-C4' energy: -165.569 flat angles C4'-P-C4' energy: -138.320 flat angles P-C4'-P energy: -94.088 tors. eta vs tors. theta energy: -33.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -960.571653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.571653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.571653 (E_RNA) where: Base-Base interactions energy: -461.499 where: short stacking energy: -345.512 Base-Backbone interact. energy: 2.697 local terms energy: -501.768973 where: bonds (distance) C4'-P energy: -156.928 bonds (distance) P-C4' energy: -160.645 flat angles C4'-P-C4' energy: -129.855 flat angles P-C4'-P energy: -75.638 tors. eta vs tors. theta energy: 21.297 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: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -866.501186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.501186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.501186 (E_RNA) where: Base-Base interactions energy: -334.629 where: short stacking energy: -320.776 Base-Backbone interact. energy: -3.096 local terms energy: -528.775659 where: bonds (distance) C4'-P energy: -109.705 bonds (distance) P-C4' energy: -166.694 flat angles C4'-P-C4' energy: -138.182 flat angles P-C4'-P energy: -101.905 tors. eta vs tors. theta energy: -12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -786.071363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.071363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.071363 (E_RNA) where: Base-Base interactions energy: -291.032 where: short stacking energy: -250.008 Base-Backbone interact. energy: 9.302 local terms energy: -504.341334 where: bonds (distance) C4'-P energy: -145.423 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -136.171 flat angles P-C4'-P energy: -79.327 tors. eta vs tors. theta energy: 14.292 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: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2538.732817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.732817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.732817 (E_RNA) where: Base-Base interactions energy: -1609.854 where: short stacking energy: -993.939 Base-Backbone interact. energy: -2.651 local terms energy: -926.227384 where: bonds (distance) C4'-P energy: -171.395 bonds (distance) P-C4' energy: -170.170 flat angles C4'-P-C4' energy: -209.438 flat angles P-C4'-P energy: -132.588 tors. eta vs tors. theta energy: -242.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2430.978881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.978881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.978881 (E_RNA) where: Base-Base interactions energy: -1473.586 where: short stacking energy: -886.292 Base-Backbone interact. energy: -4.583 local terms energy: -952.810065 where: bonds (distance) C4'-P energy: -204.720 bonds (distance) P-C4' energy: -190.940 flat angles C4'-P-C4' energy: -197.544 flat angles P-C4'-P energy: -127.064 tors. eta vs tors. theta energy: -232.542 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: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2141.069300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.069300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.069300 (E_RNA) where: Base-Base interactions energy: -1296.689 where: short stacking energy: -854.699 Base-Backbone interact. energy: -1.143 local terms energy: -843.237896 where: bonds (distance) C4'-P energy: -161.142 bonds (distance) P-C4' energy: -174.289 flat angles C4'-P-C4' energy: -195.947 flat angles P-C4'-P energy: -121.822 tors. eta vs tors. theta energy: -190.037 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: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1998.180928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.180928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.180928 (E_RNA) where: Base-Base interactions energy: -1185.114 where: short stacking energy: -721.167 Base-Backbone interact. energy: -1.906 local terms energy: -811.161787 where: bonds (distance) C4'-P energy: -167.268 bonds (distance) P-C4' energy: -178.511 flat angles C4'-P-C4' energy: -185.287 flat angles P-C4'-P energy: -110.632 tors. eta vs tors. theta energy: -169.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1593.921051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.921051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.921051 (E_RNA) where: Base-Base interactions energy: -901.222 where: short stacking energy: -614.569 Base-Backbone interact. energy: -4.418 local terms energy: -688.281416 where: bonds (distance) C4'-P energy: -143.046 bonds (distance) P-C4' energy: -166.346 flat angles C4'-P-C4' energy: -171.639 flat angles P-C4'-P energy: -112.997 tors. eta vs tors. theta energy: -94.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1394.824320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.824320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.824320 (E_RNA) where: Base-Base interactions energy: -739.420 where: short stacking energy: -517.265 Base-Backbone interact. energy: -0.172 local terms energy: -655.232984 where: bonds (distance) C4'-P energy: -147.612 bonds (distance) P-C4' energy: -173.608 flat angles C4'-P-C4' energy: -155.340 flat angles P-C4'-P energy: -106.853 tors. eta vs tors. theta energy: -71.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1167.978549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.978549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.978549 (E_RNA) where: Base-Base interactions energy: -601.004 where: short stacking energy: -428.649 Base-Backbone interact. energy: 4.542 local terms energy: -571.516160 where: bonds (distance) C4'-P energy: -127.601 bonds (distance) P-C4' energy: -154.083 flat angles C4'-P-C4' energy: -140.938 flat angles P-C4'-P energy: -105.667 tors. eta vs tors. theta energy: -43.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -948.601930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.601930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.601930 (E_RNA) where: Base-Base interactions energy: -393.969 where: short stacking energy: -313.432 Base-Backbone interact. energy: 0.139 local terms energy: -554.772298 where: bonds (distance) C4'-P energy: -160.809 bonds (distance) P-C4' energy: -150.518 flat angles C4'-P-C4' energy: -130.349 flat angles P-C4'-P energy: -88.744 tors. eta vs tors. theta energy: -24.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -823.926559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.926559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.926559 (E_RNA) where: Base-Base interactions energy: -361.085 where: short stacking energy: -336.546 Base-Backbone interact. energy: 0.806 local terms energy: -463.647335 where: bonds (distance) C4'-P energy: -115.598 bonds (distance) P-C4' energy: -138.571 flat angles C4'-P-C4' energy: -128.347 flat angles P-C4'-P energy: -82.735 tors. eta vs tors. theta energy: 1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -707.104598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.104598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.104598 (E_RNA) where: Base-Base interactions energy: -276.796 where: short stacking energy: -240.301 Base-Backbone interact. energy: -1.152 local terms energy: -429.157094 where: bonds (distance) C4'-P energy: -142.821 bonds (distance) P-C4' energy: -130.802 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -64.502 tors. eta vs tors. theta energy: 27.499 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: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2574.411201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.411201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.411201 (E_RNA) where: Base-Base interactions energy: -1613.858 where: short stacking energy: -958.567 Base-Backbone interact. energy: -3.763 local terms energy: -956.790279 where: bonds (distance) C4'-P energy: -168.100 bonds (distance) P-C4' energy: -202.277 flat angles C4'-P-C4' energy: -202.903 flat angles P-C4'-P energy: -135.899 tors. eta vs tors. theta energy: -247.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2358.393046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.393046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.393046 (E_RNA) where: Base-Base interactions energy: -1452.445 where: short stacking energy: -872.274 Base-Backbone interact. energy: -1.266 local terms energy: -904.682125 where: bonds (distance) C4'-P energy: -183.882 bonds (distance) P-C4' energy: -185.455 flat angles C4'-P-C4' energy: -201.372 flat angles P-C4'-P energy: -115.455 tors. eta vs tors. theta energy: -218.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2132.427621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.427621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.427621 (E_RNA) where: Base-Base interactions energy: -1312.048 where: short stacking energy: -827.690 Base-Backbone interact. energy: -0.923 local terms energy: -819.456211 where: bonds (distance) C4'-P energy: -149.845 bonds (distance) P-C4' energy: -167.297 flat angles C4'-P-C4' energy: -178.766 flat angles P-C4'-P energy: -110.308 tors. eta vs tors. theta energy: -213.240 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: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1924.124871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.124871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.124871 (E_RNA) where: Base-Base interactions energy: -1163.439 where: short stacking energy: -701.906 Base-Backbone interact. energy: 0.966 local terms energy: -761.651053 where: bonds (distance) C4'-P energy: -176.470 bonds (distance) P-C4' energy: -175.172 flat angles C4'-P-C4' energy: -181.062 flat angles P-C4'-P energy: -96.287 tors. eta vs tors. theta energy: -132.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1651.755916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.755916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.755916 (E_RNA) where: Base-Base interactions energy: -914.983 where: short stacking energy: -611.990 Base-Backbone interact. energy: -2.072 local terms energy: -734.700713 where: bonds (distance) C4'-P energy: -143.877 bonds (distance) P-C4' energy: -186.956 flat angles C4'-P-C4' energy: -166.614 flat angles P-C4'-P energy: -109.000 tors. eta vs tors. theta energy: -128.254 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: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1297.579890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.579890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.579890 (E_RNA) where: Base-Base interactions energy: -692.558 where: short stacking energy: -445.506 Base-Backbone interact. energy: 0.940 local terms energy: -605.961432 where: bonds (distance) C4'-P energy: -153.120 bonds (distance) P-C4' energy: -157.784 flat angles C4'-P-C4' energy: -139.160 flat angles P-C4'-P energy: -95.501 tors. eta vs tors. theta energy: -60.397 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: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1158.340118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.340118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.340118 (E_RNA) where: Base-Base interactions energy: -543.947 where: short stacking energy: -413.084 Base-Backbone interact. energy: -5.279 local terms energy: -609.114500 where: bonds (distance) C4'-P energy: -158.220 bonds (distance) P-C4' energy: -176.602 flat angles C4'-P-C4' energy: -153.285 flat angles P-C4'-P energy: -81.102 tors. eta vs tors. theta energy: -39.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -936.275702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.275702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.275702 (E_RNA) where: Base-Base interactions energy: -412.130 where: short stacking energy: -331.904 Base-Backbone interact. energy: -5.359 local terms energy: -518.787006 where: bonds (distance) C4'-P energy: -157.101 bonds (distance) P-C4' energy: -141.650 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -84.975 tors. eta vs tors. theta energy: -24.479 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: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -843.086295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.086295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.086295 (E_RNA) where: Base-Base interactions energy: -319.393 where: short stacking energy: -301.984 Base-Backbone interact. energy: 5.903 local terms energy: -529.596398 where: bonds (distance) C4'-P energy: -146.007 bonds (distance) P-C4' energy: -167.317 flat angles C4'-P-C4' energy: -151.666 flat angles P-C4'-P energy: -67.687 tors. eta vs tors. theta energy: 3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -744.741153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.741153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.741153 (E_RNA) where: Base-Base interactions energy: -275.440 where: short stacking energy: -254.055 Base-Backbone interact. energy: 6.375 local terms energy: -475.676424 where: bonds (distance) C4'-P energy: -151.639 bonds (distance) P-C4' energy: -138.752 flat angles C4'-P-C4' energy: -144.001 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: 24.507 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2568.376985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.376985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.376985 (E_RNA) where: Base-Base interactions energy: -1608.480 where: short stacking energy: -979.235 Base-Backbone interact. energy: -7.006 local terms energy: -952.890576 where: bonds (distance) C4'-P energy: -169.329 bonds (distance) P-C4' energy: -189.462 flat angles C4'-P-C4' energy: -210.309 flat angles P-C4'-P energy: -129.398 tors. eta vs tors. theta energy: -254.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2381.330707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.330707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.330707 (E_RNA) where: Base-Base interactions energy: -1451.471 where: short stacking energy: -852.239 Base-Backbone interact. energy: -2.096 local terms energy: -927.764084 where: bonds (distance) C4'-P energy: -181.287 bonds (distance) P-C4' energy: -197.001 flat angles C4'-P-C4' energy: -193.920 flat angles P-C4'-P energy: -140.364 tors. eta vs tors. theta energy: -215.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2101.042500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.042500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.042500 (E_RNA) where: Base-Base interactions energy: -1256.991 where: short stacking energy: -775.112 Base-Backbone interact. energy: -4.020 local terms energy: -840.031488 where: bonds (distance) C4'-P energy: -171.247 bonds (distance) P-C4' energy: -166.547 flat angles C4'-P-C4' energy: -189.083 flat angles P-C4'-P energy: -120.735 tors. eta vs tors. theta energy: -192.419 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: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1912.721874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.721874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.721874 (E_RNA) where: Base-Base interactions energy: -1157.333 where: short stacking energy: -702.277 Base-Backbone interact. energy: -0.396 local terms energy: -754.992657 where: bonds (distance) C4'-P energy: -148.539 bonds (distance) P-C4' energy: -167.236 flat angles C4'-P-C4' energy: -176.859 flat angles P-C4'-P energy: -107.824 tors. eta vs tors. theta energy: -154.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1667.134692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.134692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.134692 (E_RNA) where: Base-Base interactions energy: -924.121 where: short stacking energy: -658.169 Base-Backbone interact. energy: 1.735 local terms energy: -744.748026 where: bonds (distance) C4'-P energy: -150.403 bonds (distance) P-C4' energy: -168.801 flat angles C4'-P-C4' energy: -177.213 flat angles P-C4'-P energy: -116.701 tors. eta vs tors. theta energy: -131.631 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: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1358.005187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.005187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.005187 (E_RNA) where: Base-Base interactions energy: -730.988 where: short stacking energy: -517.116 Base-Backbone interact. energy: -3.084 local terms energy: -623.933675 where: bonds (distance) C4'-P energy: -146.900 bonds (distance) P-C4' energy: -136.674 flat angles C4'-P-C4' energy: -163.485 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -80.952 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: 386 Temperature: 1.200000 Total energy: -1113.903268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.903268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.903268 (E_RNA) where: Base-Base interactions energy: -528.554 where: short stacking energy: -419.625 Base-Backbone interact. energy: 0.447 local terms energy: -585.796867 where: bonds (distance) C4'-P energy: -162.391 bonds (distance) P-C4' energy: -165.005 flat angles C4'-P-C4' energy: -157.952 flat angles P-C4'-P energy: -77.907 tors. eta vs tors. theta energy: -22.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -928.042397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.042397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.042397 (E_RNA) where: Base-Base interactions energy: -380.305 where: short stacking energy: -325.952 Base-Backbone interact. energy: 6.433 local terms energy: -554.170971 where: bonds (distance) C4'-P energy: -137.872 bonds (distance) P-C4' energy: -178.270 flat angles C4'-P-C4' energy: -157.065 flat angles P-C4'-P energy: -55.836 tors. eta vs tors. theta energy: -25.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -814.221116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.221116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.221116 (E_RNA) where: Base-Base interactions energy: -299.289 where: short stacking energy: -271.777 Base-Backbone interact. energy: 1.009 local terms energy: -515.941024 where: bonds (distance) C4'-P energy: -152.202 bonds (distance) P-C4' energy: -164.259 flat angles C4'-P-C4' energy: -138.545 flat angles P-C4'-P energy: -83.518 tors. eta vs tors. theta energy: 22.582 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: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -761.095703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.095703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.095703 (E_RNA) where: Base-Base interactions energy: -314.478 where: short stacking energy: -278.793 Base-Backbone interact. energy: 2.828 local terms energy: -449.445825 where: bonds (distance) C4'-P energy: -125.149 bonds (distance) P-C4' energy: -125.724 flat angles C4'-P-C4' energy: -145.036 flat angles P-C4'-P energy: -81.677 tors. eta vs tors. theta energy: 28.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2525.195813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.195813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.195813 (E_RNA) where: Base-Base interactions energy: -1558.106 where: short stacking energy: -928.924 Base-Backbone interact. energy: -4.824 local terms energy: -962.265314 where: bonds (distance) C4'-P energy: -172.170 bonds (distance) P-C4' energy: -195.109 flat angles C4'-P-C4' energy: -215.205 flat angles P-C4'-P energy: -139.660 tors. eta vs tors. theta energy: -240.122 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: 2, replica: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2397.772075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.772075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.772075 (E_RNA) where: Base-Base interactions energy: -1480.248 where: short stacking energy: -898.457 Base-Backbone interact. energy: -4.060 local terms energy: -913.464602 where: bonds (distance) C4'-P energy: -177.711 bonds (distance) P-C4' energy: -180.591 flat angles C4'-P-C4' energy: -187.907 flat angles P-C4'-P energy: -132.853 tors. eta vs tors. theta energy: -234.403 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: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2105.194144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.194144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.194144 (E_RNA) where: Base-Base interactions energy: -1250.897 where: short stacking energy: -802.791 Base-Backbone interact. energy: -3.204 local terms energy: -851.093216 where: bonds (distance) C4'-P energy: -181.057 bonds (distance) P-C4' energy: -175.077 flat angles C4'-P-C4' energy: -193.329 flat angles P-C4'-P energy: -102.897 tors. eta vs tors. theta energy: -198.734 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: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1954.013152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.013152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.013152 (E_RNA) where: Base-Base interactions energy: -1173.433 where: short stacking energy: -667.080 Base-Backbone interact. energy: -3.070 local terms energy: -777.509772 where: bonds (distance) C4'-P energy: -171.380 bonds (distance) P-C4' energy: -175.274 flat angles C4'-P-C4' energy: -173.410 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -142.209 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: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1656.197404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.197404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.197404 (E_RNA) where: Base-Base interactions energy: -916.086 where: short stacking energy: -611.087 Base-Backbone interact. energy: -1.782 local terms energy: -738.330097 where: bonds (distance) C4'-P energy: -156.073 bonds (distance) P-C4' energy: -174.924 flat angles C4'-P-C4' energy: -163.136 flat angles P-C4'-P energy: -112.434 tors. eta vs tors. theta energy: -131.764 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: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1327.559831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.559831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.559831 (E_RNA) where: Base-Base interactions energy: -691.641 where: short stacking energy: -483.931 Base-Backbone interact. energy: 1.044 local terms energy: -636.963316 where: bonds (distance) C4'-P energy: -150.393 bonds (distance) P-C4' energy: -166.916 flat angles C4'-P-C4' energy: -156.988 flat angles P-C4'-P energy: -82.329 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: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1080.484987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.484987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.484987 (E_RNA) where: Base-Base interactions energy: -506.214 where: short stacking energy: -386.472 Base-Backbone interact. energy: 0.936 local terms energy: -575.206232 where: bonds (distance) C4'-P energy: -124.677 bonds (distance) P-C4' energy: -169.366 flat angles C4'-P-C4' energy: -147.031 flat angles P-C4'-P energy: -74.608 tors. eta vs tors. theta energy: -59.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1013.996781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.996781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.996781 (E_RNA) where: Base-Base interactions energy: -473.410 where: short stacking energy: -390.830 Base-Backbone interact. energy: -0.973 local terms energy: -539.614318 where: bonds (distance) C4'-P energy: -150.453 bonds (distance) P-C4' energy: -143.301 flat angles C4'-P-C4' energy: -132.001 flat angles P-C4'-P energy: -78.085 tors. eta vs tors. theta energy: -35.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -821.809468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.809468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.809468 (E_RNA) where: Base-Base interactions energy: -321.215 where: short stacking energy: -282.090 Base-Backbone interact. energy: 4.307 local terms energy: -504.901912 where: bonds (distance) C4'-P energy: -142.131 bonds (distance) P-C4' energy: -165.823 flat angles C4'-P-C4' energy: -113.817 flat angles P-C4'-P energy: -75.824 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -743.827307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.827307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.827307 (E_RNA) where: Base-Base interactions energy: -296.590 where: short stacking energy: -251.741 Base-Backbone interact. energy: -1.810 local terms energy: -445.426394 where: bonds (distance) C4'-P energy: -144.977 bonds (distance) P-C4' energy: -142.306 flat angles C4'-P-C4' energy: -123.486 flat angles P-C4'-P energy: -59.003 tors. eta vs tors. theta energy: 24.345 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: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2537.276881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.276881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.276881 (E_RNA) where: Base-Base interactions energy: -1604.499 where: short stacking energy: -971.159 Base-Backbone interact. energy: -4.419 local terms energy: -928.358758 where: bonds (distance) C4'-P energy: -164.255 bonds (distance) P-C4' energy: -195.154 flat angles C4'-P-C4' energy: -203.545 flat angles P-C4'-P energy: -125.479 tors. eta vs tors. theta energy: -239.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2387.201954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.201954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.201954 (E_RNA) where: Base-Base interactions energy: -1503.209 where: short stacking energy: -933.481 Base-Backbone interact. energy: -5.347 local terms energy: -878.645646 where: bonds (distance) C4'-P energy: -151.319 bonds (distance) P-C4' energy: -166.928 flat angles C4'-P-C4' energy: -195.618 flat angles P-C4'-P energy: -136.972 tors. eta vs tors. theta energy: -227.809 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: 4 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2099.834067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.834067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.834067 (E_RNA) where: Base-Base interactions energy: -1243.001 where: short stacking energy: -808.137 Base-Backbone interact. energy: -5.399 local terms energy: -851.433120 where: bonds (distance) C4'-P energy: -155.477 bonds (distance) P-C4' energy: -171.909 flat angles C4'-P-C4' energy: -185.066 flat angles P-C4'-P energy: -144.983 tors. eta vs tors. theta energy: -193.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1958.681599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.681599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.681599 (E_RNA) where: Base-Base interactions energy: -1178.047 where: short stacking energy: -683.869 Base-Backbone interact. energy: -5.089 local terms energy: -775.545891 where: bonds (distance) C4'-P energy: -157.074 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -186.172 flat angles P-C4'-P energy: -119.712 tors. eta vs tors. theta energy: -155.888 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: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1634.026618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.026618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.026618 (E_RNA) where: Base-Base interactions energy: -927.551 where: short stacking energy: -607.381 Base-Backbone interact. energy: -2.442 local terms energy: -704.033105 where: bonds (distance) C4'-P energy: -141.087 bonds (distance) P-C4' energy: -175.806 flat angles C4'-P-C4' energy: -169.624 flat angles P-C4'-P energy: -105.607 tors. eta vs tors. theta energy: -111.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1336.650567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.650567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.650567 (E_RNA) where: Base-Base interactions energy: -704.154 where: short stacking energy: -512.421 Base-Backbone interact. energy: -3.072 local terms energy: -629.424851 where: bonds (distance) C4'-P energy: -159.454 bonds (distance) P-C4' energy: -150.468 flat angles C4'-P-C4' energy: -147.121 flat angles P-C4'-P energy: -89.892 tors. eta vs tors. theta energy: -82.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1058.362870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.362870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.362870 (E_RNA) where: Base-Base interactions energy: -478.663 where: short stacking energy: -347.134 Base-Backbone interact. energy: 0.848 local terms energy: -580.547821 where: bonds (distance) C4'-P energy: -146.802 bonds (distance) P-C4' energy: -158.882 flat angles C4'-P-C4' energy: -153.510 flat angles P-C4'-P energy: -112.971 tors. eta vs tors. theta energy: -8.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -982.611325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.611325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.611325 (E_RNA) where: Base-Base interactions energy: -425.770 where: short stacking energy: -329.628 Base-Backbone interact. energy: -1.144 local terms energy: -555.697532 where: bonds (distance) C4'-P energy: -151.136 bonds (distance) P-C4' energy: -160.917 flat angles C4'-P-C4' energy: -153.549 flat angles P-C4'-P energy: -91.974 tors. eta vs tors. theta energy: 1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -859.213990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.213990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.213990 (E_RNA) where: Base-Base interactions energy: -377.371 where: short stacking energy: -347.957 Base-Backbone interact. energy: 9.422 local terms energy: -491.265068 where: bonds (distance) C4'-P energy: -129.032 bonds (distance) P-C4' energy: -151.505 flat angles C4'-P-C4' energy: -117.496 flat angles P-C4'-P energy: -92.098 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -800.000346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.000346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.000346 (E_RNA) where: Base-Base interactions energy: -302.172 where: short stacking energy: -279.385 Base-Backbone interact. energy: 10.571 local terms energy: -508.399555 where: bonds (distance) C4'-P energy: -147.629 bonds (distance) P-C4' energy: -141.509 flat angles C4'-P-C4' energy: -140.500 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2573.969517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.969517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.969517 (E_RNA) where: Base-Base interactions energy: -1623.132 where: short stacking energy: -956.657 Base-Backbone interact. energy: -2.868 local terms energy: -947.969194 where: bonds (distance) C4'-P energy: -173.623 bonds (distance) P-C4' energy: -189.248 flat angles C4'-P-C4' energy: -208.723 flat angles P-C4'-P energy: -131.443 tors. eta vs tors. theta energy: -244.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2406.708929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.708929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.708929 (E_RNA) where: Base-Base interactions energy: -1485.796 where: short stacking energy: -886.399 Base-Backbone interact. energy: -0.770 local terms energy: -920.142203 where: bonds (distance) C4'-P energy: -181.090 bonds (distance) P-C4' energy: -192.114 flat angles C4'-P-C4' energy: -194.820 flat angles P-C4'-P energy: -139.932 tors. eta vs tors. theta energy: -212.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2191.888588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.888588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.888588 (E_RNA) where: Base-Base interactions energy: -1321.438 where: short stacking energy: -851.355 Base-Backbone interact. energy: 0.056 local terms energy: -870.506966 where: bonds (distance) C4'-P energy: -165.639 bonds (distance) P-C4' energy: -177.382 flat angles C4'-P-C4' energy: -191.083 flat angles P-C4'-P energy: -127.650 tors. eta vs tors. theta energy: -208.753 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: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1931.379391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.379391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.379391 (E_RNA) where: Base-Base interactions energy: -1150.964 where: short stacking energy: -710.336 Base-Backbone interact. energy: -3.343 local terms energy: -777.072304 where: bonds (distance) C4'-P energy: -165.375 bonds (distance) P-C4' energy: -164.823 flat angles C4'-P-C4' energy: -195.641 flat angles P-C4'-P energy: -119.733 tors. eta vs tors. theta energy: -131.500 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: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1643.807117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.807117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.807117 (E_RNA) where: Base-Base interactions energy: -952.297 where: short stacking energy: -600.135 Base-Backbone interact. energy: 2.181 local terms energy: -693.691313 where: bonds (distance) C4'-P energy: -141.978 bonds (distance) P-C4' energy: -171.290 flat angles C4'-P-C4' energy: -168.219 flat angles P-C4'-P energy: -109.617 tors. eta vs tors. theta energy: -102.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1330.121867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.121867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.121867 (E_RNA) where: Base-Base interactions energy: -671.084 where: short stacking energy: -514.808 Base-Backbone interact. energy: 2.494 local terms energy: -661.531362 where: bonds (distance) C4'-P energy: -167.763 bonds (distance) P-C4' energy: -169.995 flat angles C4'-P-C4' energy: -159.354 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -76.162 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: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1093.599395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.599395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.599395 (E_RNA) where: Base-Base interactions energy: -482.288 where: short stacking energy: -383.396 Base-Backbone interact. energy: -0.182 local terms energy: -611.129443 where: bonds (distance) C4'-P energy: -142.744 bonds (distance) P-C4' energy: -165.645 flat angles C4'-P-C4' energy: -161.234 flat angles P-C4'-P energy: -106.755 tors. eta vs tors. theta energy: -34.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1016.607007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.607007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.607007 (E_RNA) where: Base-Base interactions energy: -463.663 where: short stacking energy: -347.523 Base-Backbone interact. energy: -1.176 local terms energy: -551.767600 where: bonds (distance) C4'-P energy: -157.596 bonds (distance) P-C4' energy: -158.722 flat angles C4'-P-C4' energy: -145.566 flat angles P-C4'-P energy: -75.482 tors. eta vs tors. theta energy: -14.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -817.962365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.962365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.962365 (E_RNA) where: Base-Base interactions energy: -313.165 where: short stacking energy: -289.114 Base-Backbone interact. energy: 4.762 local terms energy: -509.559352 where: bonds (distance) C4'-P energy: -154.985 bonds (distance) P-C4' energy: -149.319 flat angles C4'-P-C4' energy: -129.976 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: 17.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -769.267572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.267572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.267572 (E_RNA) where: Base-Base interactions energy: -326.630 where: short stacking energy: -296.506 Base-Backbone interact. energy: -1.712 local terms energy: -440.925398 where: bonds (distance) C4'-P energy: -112.688 bonds (distance) P-C4' energy: -152.671 flat angles C4'-P-C4' energy: -109.812 flat angles P-C4'-P energy: -82.383 tors. eta vs tors. theta energy: 16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2596.330683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.330683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.330683 (E_RNA) where: Base-Base interactions energy: -1621.591 where: short stacking energy: -969.965 Base-Backbone interact. energy: -4.240 local terms energy: -970.499389 where: bonds (distance) C4'-P energy: -179.430 bonds (distance) P-C4' energy: -191.472 flat angles C4'-P-C4' energy: -221.091 flat angles P-C4'-P energy: -132.951 tors. eta vs tors. theta energy: -245.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2328.357623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.357623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.357623 (E_RNA) where: Base-Base interactions energy: -1445.705 where: short stacking energy: -869.930 Base-Backbone interact. energy: -5.714 local terms energy: -876.938846 where: bonds (distance) C4'-P energy: -165.246 bonds (distance) P-C4' energy: -181.755 flat angles C4'-P-C4' energy: -193.232 flat angles P-C4'-P energy: -117.082 tors. eta vs tors. theta energy: -219.624 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: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2217.120387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.120387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.120387 (E_RNA) where: Base-Base interactions energy: -1348.934 where: short stacking energy: -806.565 Base-Backbone interact. energy: -0.634 local terms energy: -867.552493 where: bonds (distance) C4'-P energy: -160.580 bonds (distance) P-C4' energy: -194.866 flat angles C4'-P-C4' energy: -193.747 flat angles P-C4'-P energy: -120.995 tors. eta vs tors. theta energy: -197.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1879.582748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.582748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.582748 (E_RNA) where: Base-Base interactions energy: -1094.365 where: short stacking energy: -645.235 Base-Backbone interact. energy: 3.285 local terms energy: -788.502512 where: bonds (distance) C4'-P energy: -186.206 bonds (distance) P-C4' energy: -183.101 flat angles C4'-P-C4' energy: -188.969 flat angles P-C4'-P energy: -95.261 tors. eta vs tors. theta energy: -134.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1682.171651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.171651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.171651 (E_RNA) where: Base-Base interactions energy: -950.739 where: short stacking energy: -634.445 Base-Backbone interact. energy: -2.817 local terms energy: -728.615494 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -177.667 flat angles C4'-P-C4' energy: -176.643 flat angles P-C4'-P energy: -104.893 tors. eta vs tors. theta energy: -128.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1362.149681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.149681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.149681 (E_RNA) where: Base-Base interactions energy: -704.392 where: short stacking energy: -533.186 Base-Backbone interact. energy: 2.240 local terms energy: -659.998014 where: bonds (distance) C4'-P energy: -154.480 bonds (distance) P-C4' energy: -167.225 flat angles C4'-P-C4' energy: -174.858 flat angles P-C4'-P energy: -90.822 tors. eta vs tors. theta energy: -72.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1131.349133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.349133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.349133 (E_RNA) where: Base-Base interactions energy: -535.736 where: short stacking energy: -463.663 Base-Backbone interact. energy: -4.750 local terms energy: -590.863847 where: bonds (distance) C4'-P energy: -144.403 bonds (distance) P-C4' energy: -155.409 flat angles C4'-P-C4' energy: -152.135 flat angles P-C4'-P energy: -81.652 tors. eta vs tors. theta energy: -57.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -952.815925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.815925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.815925 (E_RNA) where: Base-Base interactions energy: -443.029 where: short stacking energy: -316.007 Base-Backbone interact. energy: 2.118 local terms energy: -511.905051 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -153.657 flat angles C4'-P-C4' energy: -138.222 flat angles P-C4'-P energy: -88.622 tors. eta vs tors. theta energy: 13.229 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: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -831.117781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.117781 (E_RNA) where: Base-Base interactions energy: -323.876 where: short stacking energy: -301.036 Base-Backbone interact. energy: 3.536 local terms energy: -510.777474 where: bonds (distance) C4'-P energy: -131.057 bonds (distance) P-C4' energy: -165.288 flat angles C4'-P-C4' energy: -117.493 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -11.303 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: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -750.217375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.217375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.217375 (E_RNA) where: Base-Base interactions energy: -293.232 where: short stacking energy: -256.642 Base-Backbone interact. energy: 2.709 local terms energy: -459.694598 where: bonds (distance) C4'-P energy: -141.380 bonds (distance) P-C4' energy: -144.728 flat angles C4'-P-C4' energy: -140.824 flat angles P-C4'-P energy: -63.380 tors. eta vs tors. theta energy: 30.618 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: 391 Temperature: 0.900000 Total energy: -2581.891639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.891639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.891639 (E_RNA) where: Base-Base interactions energy: -1595.788 where: short stacking energy: -953.715 Base-Backbone interact. energy: -2.865 local terms energy: -983.238465 where: bonds (distance) C4'-P energy: -186.955 bonds (distance) P-C4' energy: -196.824 flat angles C4'-P-C4' energy: -210.788 flat angles P-C4'-P energy: -141.314 tors. eta vs tors. theta energy: -247.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2348.024142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.024142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.024142 (E_RNA) where: Base-Base interactions energy: -1450.301 where: short stacking energy: -862.906 Base-Backbone interact. energy: -3.211 local terms energy: -894.512163 where: bonds (distance) C4'-P energy: -167.085 bonds (distance) P-C4' energy: -186.180 flat angles C4'-P-C4' energy: -187.177 flat angles P-C4'-P energy: -137.346 tors. eta vs tors. theta energy: -216.724 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: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2264.235693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.235693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.235693 (E_RNA) where: Base-Base interactions energy: -1406.599 where: short stacking energy: -858.751 Base-Backbone interact. energy: -2.976 local terms energy: -854.660853 where: bonds (distance) C4'-P energy: -169.954 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -203.092 flat angles P-C4'-P energy: -118.610 tors. eta vs tors. theta energy: -212.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1960.962227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.962227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.962227 (E_RNA) where: Base-Base interactions energy: -1210.410 where: short stacking energy: -735.336 Base-Backbone interact. energy: -0.658 local terms energy: -749.894383 where: bonds (distance) C4'-P energy: -144.020 bonds (distance) P-C4' energy: -179.125 flat angles C4'-P-C4' energy: -172.540 flat angles P-C4'-P energy: -94.680 tors. eta vs tors. theta energy: -159.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1658.379068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.379068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.379068 (E_RNA) where: Base-Base interactions energy: -937.877 where: short stacking energy: -566.147 Base-Backbone interact. energy: -2.015 local terms energy: -718.487075 where: bonds (distance) C4'-P energy: -160.655 bonds (distance) P-C4' energy: -184.655 flat angles C4'-P-C4' energy: -167.090 flat angles P-C4'-P energy: -97.194 tors. eta vs tors. theta energy: -108.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1503.170748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.170748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.170748 (E_RNA) where: Base-Base interactions energy: -830.578 where: short stacking energy: -516.390 Base-Backbone interact. energy: -6.389 local terms energy: -666.203737 where: bonds (distance) C4'-P energy: -168.804 bonds (distance) P-C4' energy: -160.454 flat angles C4'-P-C4' energy: -155.730 flat angles P-C4'-P energy: -96.048 tors. eta vs tors. theta energy: -85.167 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: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1087.788080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.788080 (E_RNA) where: Base-Base interactions energy: -511.425 where: short stacking energy: -426.385 Base-Backbone interact. energy: -1.101 local terms energy: -575.261252 where: bonds (distance) C4'-P energy: -137.997 bonds (distance) P-C4' energy: -163.082 flat angles C4'-P-C4' energy: -140.892 flat angles P-C4'-P energy: -94.318 tors. eta vs tors. theta energy: -38.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -979.121068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.121068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.121068 (E_RNA) where: Base-Base interactions energy: -406.623 where: short stacking energy: -354.919 Base-Backbone interact. energy: -1.043 local terms energy: -571.454993 where: bonds (distance) C4'-P energy: -139.724 bonds (distance) P-C4' energy: -166.549 flat angles C4'-P-C4' energy: -157.655 flat angles P-C4'-P energy: -88.636 tors. eta vs tors. theta energy: -18.891 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: 391 Temperature: 1.300000 Total energy: -821.398610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.398610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.398610 (E_RNA) where: Base-Base interactions energy: -376.596 where: short stacking energy: -312.026 Base-Backbone interact. energy: -3.417 local terms energy: -441.385436 where: bonds (distance) C4'-P energy: -130.157 bonds (distance) P-C4' energy: -144.311 flat angles C4'-P-C4' energy: -123.713 flat angles P-C4'-P energy: -47.546 tors. eta vs tors. theta energy: 4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -739.891689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.891689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.891689 (E_RNA) where: Base-Base interactions energy: -282.261 where: short stacking energy: -269.562 Base-Backbone interact. energy: 3.298 local terms energy: -460.929189 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -154.144 flat angles C4'-P-C4' energy: -116.954 flat angles P-C4'-P energy: -88.911 tors. eta vs tors. theta energy: 25.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2588.205066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.205066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.205066 (E_RNA) where: Base-Base interactions energy: -1624.840 where: short stacking energy: -978.309 Base-Backbone interact. energy: 2.195 local terms energy: -965.559844 where: bonds (distance) C4'-P energy: -172.248 bonds (distance) P-C4' energy: -180.131 flat angles C4'-P-C4' energy: -221.866 flat angles P-C4'-P energy: -139.934 tors. eta vs tors. theta energy: -251.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2354.519429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.519429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.519429 (E_RNA) where: Base-Base interactions energy: -1469.694 where: short stacking energy: -867.606 Base-Backbone interact. energy: -3.800 local terms energy: -881.025775 where: bonds (distance) C4'-P energy: -190.453 bonds (distance) P-C4' energy: -160.294 flat angles C4'-P-C4' energy: -191.422 flat angles P-C4'-P energy: -124.305 tors. eta vs tors. theta energy: -214.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2220.107755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.107755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.107755 (E_RNA) where: Base-Base interactions energy: -1367.859 where: short stacking energy: -822.110 Base-Backbone interact. energy: -5.594 local terms energy: -846.655054 where: bonds (distance) C4'-P energy: -161.865 bonds (distance) P-C4' energy: -177.946 flat angles C4'-P-C4' energy: -187.486 flat angles P-C4'-P energy: -117.321 tors. eta vs tors. theta energy: -202.038 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: 392 Temperature: 1.050000 Total energy: -1992.653824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.653824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.653824 (E_RNA) where: Base-Base interactions energy: -1196.311 where: short stacking energy: -755.271 Base-Backbone interact. energy: -1.384 local terms energy: -794.958714 where: bonds (distance) C4'-P energy: -179.011 bonds (distance) P-C4' energy: -177.966 flat angles C4'-P-C4' energy: -169.338 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -163.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1628.542827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.542827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.542827 (E_RNA) where: Base-Base interactions energy: -935.165 where: short stacking energy: -581.399 Base-Backbone interact. energy: 0.389 local terms energy: -693.766890 where: bonds (distance) C4'-P energy: -145.203 bonds (distance) P-C4' energy: -171.643 flat angles C4'-P-C4' energy: -165.084 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -111.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1422.805286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.805286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.805286 (E_RNA) where: Base-Base interactions energy: -780.130 where: short stacking energy: -520.543 Base-Backbone interact. energy: -0.792 local terms energy: -641.883491 where: bonds (distance) C4'-P energy: -159.012 bonds (distance) P-C4' energy: -164.170 flat angles C4'-P-C4' energy: -163.696 flat angles P-C4'-P energy: -92.524 tors. eta vs tors. theta energy: -62.482 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: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1074.145687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.145687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.145687 (E_RNA) where: Base-Base interactions energy: -466.584 where: short stacking energy: -392.521 Base-Backbone interact. energy: 0.050 local terms energy: -607.612543 where: bonds (distance) C4'-P energy: -147.426 bonds (distance) P-C4' energy: -165.478 flat angles C4'-P-C4' energy: -144.514 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -47.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -925.224826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.224826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.224826 (E_RNA) where: Base-Base interactions energy: -413.089 where: short stacking energy: -361.455 Base-Backbone interact. energy: -1.161 local terms energy: -510.974929 where: bonds (distance) C4'-P energy: -135.863 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -131.288 flat angles P-C4'-P energy: -99.402 tors. eta vs tors. theta energy: -7.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -862.672924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.672924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.672924 (E_RNA) where: Base-Base interactions energy: -335.768 where: short stacking energy: -295.106 Base-Backbone interact. energy: 0.881 local terms energy: -527.786114 where: bonds (distance) C4'-P energy: -132.965 bonds (distance) P-C4' energy: -173.957 flat angles C4'-P-C4' energy: -144.623 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -756.253302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.253302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.253302 (E_RNA) where: Base-Base interactions energy: -329.458 where: short stacking energy: -284.412 Base-Backbone interact. energy: 3.155 local terms energy: -429.950785 where: bonds (distance) C4'-P energy: -142.682 bonds (distance) P-C4' energy: -157.870 flat angles C4'-P-C4' energy: -115.940 flat angles P-C4'-P energy: -43.594 tors. eta vs tors. theta energy: 30.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2509.877000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.877000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.877000 (E_RNA) where: Base-Base interactions energy: -1568.050 where: short stacking energy: -943.293 Base-Backbone interact. energy: -4.308 local terms energy: -937.519748 where: bonds (distance) C4'-P energy: -183.922 bonds (distance) P-C4' energy: -165.416 flat angles C4'-P-C4' energy: -206.384 flat angles P-C4'-P energy: -152.620 tors. eta vs tors. theta energy: -229.178 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: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2382.553335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.553335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.553335 (E_RNA) where: Base-Base interactions energy: -1470.571 where: short stacking energy: -880.831 Base-Backbone interact. energy: -4.550 local terms energy: -907.433077 where: bonds (distance) C4'-P energy: -163.988 bonds (distance) P-C4' energy: -188.343 flat angles C4'-P-C4' energy: -191.103 flat angles P-C4'-P energy: -150.013 tors. eta vs tors. theta energy: -213.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2249.583962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.583962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.583962 (E_RNA) where: Base-Base interactions energy: -1362.965 where: short stacking energy: -857.742 Base-Backbone interact. energy: -0.807 local terms energy: -885.811861 where: bonds (distance) C4'-P energy: -180.808 bonds (distance) P-C4' energy: -185.313 flat angles C4'-P-C4' energy: -189.535 flat angles P-C4'-P energy: -116.949 tors. eta vs tors. theta energy: -213.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2018.232208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.232208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.232208 (E_RNA) where: Base-Base interactions energy: -1241.497 where: short stacking energy: -733.021 Base-Backbone interact. energy: -0.681 local terms energy: -776.054569 where: bonds (distance) C4'-P energy: -161.556 bonds (distance) P-C4' energy: -164.272 flat angles C4'-P-C4' energy: -178.375 flat angles P-C4'-P energy: -98.284 tors. eta vs tors. theta energy: -173.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1644.962852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.962852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.962852 (E_RNA) where: Base-Base interactions energy: -937.041 where: short stacking energy: -599.095 Base-Backbone interact. energy: -3.068 local terms energy: -704.853796 where: bonds (distance) C4'-P energy: -159.401 bonds (distance) P-C4' energy: -163.909 flat angles C4'-P-C4' energy: -173.137 flat angles P-C4'-P energy: -91.657 tors. eta vs tors. theta energy: -116.750 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: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1423.385136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.385136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.385136 (E_RNA) where: Base-Base interactions energy: -764.565 where: short stacking energy: -497.898 Base-Backbone interact. energy: -1.744 local terms energy: -657.076174 where: bonds (distance) C4'-P energy: -153.569 bonds (distance) P-C4' energy: -181.456 flat angles C4'-P-C4' energy: -151.398 flat angles P-C4'-P energy: -114.637 tors. eta vs tors. theta energy: -56.016 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: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1137.412790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.412790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.412790 (E_RNA) where: Base-Base interactions energy: -558.280 where: short stacking energy: -442.417 Base-Backbone interact. energy: 3.803 local terms energy: -582.936067 where: bonds (distance) C4'-P energy: -146.579 bonds (distance) P-C4' energy: -157.507 flat angles C4'-P-C4' energy: -149.152 flat angles P-C4'-P energy: -89.870 tors. eta vs tors. theta energy: -39.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -895.275277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.275277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.275277 (E_RNA) where: Base-Base interactions energy: -378.275 where: short stacking energy: -312.410 Base-Backbone interact. energy: 1.665 local terms energy: -518.664923 where: bonds (distance) C4'-P energy: -149.267 bonds (distance) P-C4' energy: -163.292 flat angles C4'-P-C4' energy: -146.062 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: 3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -834.888612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.888612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.888612 (E_RNA) where: Base-Base interactions energy: -360.406 where: short stacking energy: -270.148 Base-Backbone interact. energy: 8.665 local terms energy: -483.146784 where: bonds (distance) C4'-P energy: -138.095 bonds (distance) P-C4' energy: -151.555 flat angles C4'-P-C4' energy: -129.380 flat angles P-C4'-P energy: -87.289 tors. eta vs tors. theta energy: 23.172 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: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -786.831295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.831295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.831295 (E_RNA) where: Base-Base interactions energy: -323.987 where: short stacking energy: -289.013 Base-Backbone interact. energy: 0.514 local terms energy: -463.359214 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -142.876 flat angles C4'-P-C4' energy: -126.118 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: 27.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2510.560494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.560494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.560494 (E_RNA) where: Base-Base interactions energy: -1610.648 where: short stacking energy: -948.666 Base-Backbone interact. energy: -4.550 local terms energy: -895.362733 where: bonds (distance) C4'-P energy: -162.604 bonds (distance) P-C4' energy: -170.795 flat angles C4'-P-C4' energy: -199.570 flat angles P-C4'-P energy: -124.662 tors. eta vs tors. theta energy: -237.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2420.472125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.472125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.472125 (E_RNA) where: Base-Base interactions energy: -1523.371 where: short stacking energy: -927.496 Base-Backbone interact. energy: -2.877 local terms energy: -894.223454 where: bonds (distance) C4'-P energy: -184.762 bonds (distance) P-C4' energy: -180.489 flat angles C4'-P-C4' energy: -180.678 flat angles P-C4'-P energy: -116.797 tors. eta vs tors. theta energy: -231.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2234.959972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.959972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.959972 (E_RNA) where: Base-Base interactions energy: -1350.032 where: short stacking energy: -868.625 Base-Backbone interact. energy: 0.988 local terms energy: -885.915560 where: bonds (distance) C4'-P energy: -159.624 bonds (distance) P-C4' energy: -179.506 flat angles C4'-P-C4' energy: -201.220 flat angles P-C4'-P energy: -128.705 tors. eta vs tors. theta energy: -216.860 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: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1989.454577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.454577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.454577 (E_RNA) where: Base-Base interactions energy: -1181.588 where: short stacking energy: -716.798 Base-Backbone interact. energy: 1.433 local terms energy: -809.299878 where: bonds (distance) C4'-P energy: -163.674 bonds (distance) P-C4' energy: -171.082 flat angles C4'-P-C4' energy: -183.412 flat angles P-C4'-P energy: -127.702 tors. eta vs tors. theta energy: -163.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1681.934867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.934867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.934867 (E_RNA) where: Base-Base interactions energy: -958.013 where: short stacking energy: -617.371 Base-Backbone interact. energy: 0.056 local terms energy: -723.977571 where: bonds (distance) C4'-P energy: -164.441 bonds (distance) P-C4' energy: -154.709 flat angles C4'-P-C4' energy: -175.661 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -121.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1520.860571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.860571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.860571 (E_RNA) where: Base-Base interactions energy: -812.093 where: short stacking energy: -539.830 Base-Backbone interact. energy: -3.593 local terms energy: -705.174665 where: bonds (distance) C4'-P energy: -160.232 bonds (distance) P-C4' energy: -157.493 flat angles C4'-P-C4' energy: -176.130 flat angles P-C4'-P energy: -123.869 tors. eta vs tors. theta energy: -87.450 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: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1115.177536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.177536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.177536 (E_RNA) where: Base-Base interactions energy: -528.029 where: short stacking energy: -398.275 Base-Backbone interact. energy: 3.193 local terms energy: -590.341016 where: bonds (distance) C4'-P energy: -167.573 bonds (distance) P-C4' energy: -165.105 flat angles C4'-P-C4' energy: -148.764 flat angles P-C4'-P energy: -85.247 tors. eta vs tors. theta energy: -23.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -960.282424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.282424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.282424 (E_RNA) where: Base-Base interactions energy: -422.431 where: short stacking energy: -349.855 Base-Backbone interact. energy: 1.386 local terms energy: -539.237986 where: bonds (distance) C4'-P energy: -148.141 bonds (distance) P-C4' energy: -162.101 flat angles C4'-P-C4' energy: -125.442 flat angles P-C4'-P energy: -93.229 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -803.381714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.381714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.381714 (E_RNA) where: Base-Base interactions energy: -321.122 where: short stacking energy: -291.615 Base-Backbone interact. energy: 3.257 local terms energy: -485.517215 where: bonds (distance) C4'-P energy: -136.640 bonds (distance) P-C4' energy: -162.186 flat angles C4'-P-C4' energy: -143.637 flat angles P-C4'-P energy: -57.857 tors. eta vs tors. theta energy: 14.803 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: 394 Temperature: 1.350000 Total energy: -791.313790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.313790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.313790 (E_RNA) where: Base-Base interactions energy: -330.874 where: short stacking energy: -282.974 Base-Backbone interact. energy: 7.774 local terms energy: -468.214003 where: bonds (distance) C4'-P energy: -139.825 bonds (distance) P-C4' energy: -146.572 flat angles C4'-P-C4' energy: -125.934 flat angles P-C4'-P energy: -62.546 tors. eta vs tors. theta energy: 6.662 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: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2531.184095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.184095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.184095 (E_RNA) where: Base-Base interactions energy: -1552.687 where: short stacking energy: -946.578 Base-Backbone interact. energy: -8.017 local terms energy: -970.480215 where: bonds (distance) C4'-P energy: -166.827 bonds (distance) P-C4' energy: -207.415 flat angles C4'-P-C4' energy: -211.548 flat angles P-C4'-P energy: -143.029 tors. eta vs tors. theta energy: -241.661 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: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2441.850552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.850552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.850552 (E_RNA) where: Base-Base interactions energy: -1552.303 where: short stacking energy: -921.562 Base-Backbone interact. energy: 0.605 local terms energy: -890.153026 where: bonds (distance) C4'-P energy: -161.551 bonds (distance) P-C4' energy: -177.049 flat angles C4'-P-C4' energy: -196.676 flat angles P-C4'-P energy: -121.759 tors. eta vs tors. theta energy: -233.118 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: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2246.188778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.188778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.188778 (E_RNA) where: Base-Base interactions energy: -1363.533 where: short stacking energy: -823.755 Base-Backbone interact. energy: -2.227 local terms energy: -880.428909 where: bonds (distance) C4'-P energy: -175.013 bonds (distance) P-C4' energy: -180.116 flat angles C4'-P-C4' energy: -188.321 flat angles P-C4'-P energy: -132.015 tors. eta vs tors. theta energy: -204.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1983.603353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.603353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.603353 (E_RNA) where: Base-Base interactions energy: -1218.866 where: short stacking energy: -745.776 Base-Backbone interact. energy: 0.840 local terms energy: -765.577560 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -175.088 flat angles C4'-P-C4' energy: -175.297 flat angles P-C4'-P energy: -110.685 tors. eta vs tors. theta energy: -158.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1582.323047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.323047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.323047 (E_RNA) where: Base-Base interactions energy: -886.243 where: short stacking energy: -571.376 Base-Backbone interact. energy: 1.206 local terms energy: -697.286163 where: bonds (distance) C4'-P energy: -157.511 bonds (distance) P-C4' energy: -171.935 flat angles C4'-P-C4' energy: -174.410 flat angles P-C4'-P energy: -101.766 tors. eta vs tors. theta energy: -91.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1524.260444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.260444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.260444 (E_RNA) where: Base-Base interactions energy: -845.790 where: short stacking energy: -554.791 Base-Backbone interact. energy: 4.695 local terms energy: -683.165285 where: bonds (distance) C4'-P energy: -152.791 bonds (distance) P-C4' energy: -161.127 flat angles C4'-P-C4' energy: -160.543 flat angles P-C4'-P energy: -121.988 tors. eta vs tors. theta energy: -86.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1089.674074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.674074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.674074 (E_RNA) where: Base-Base interactions energy: -500.395 where: short stacking energy: -437.447 Base-Backbone interact. energy: 4.217 local terms energy: -593.495355 where: bonds (distance) C4'-P energy: -137.051 bonds (distance) P-C4' energy: -170.098 flat angles C4'-P-C4' energy: -132.502 flat angles P-C4'-P energy: -97.322 tors. eta vs tors. theta energy: -56.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -959.872121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.872121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.872121 (E_RNA) where: Base-Base interactions energy: -443.281 where: short stacking energy: -373.723 Base-Backbone interact. energy: -2.852 local terms energy: -513.738980 where: bonds (distance) C4'-P energy: -155.823 bonds (distance) P-C4' energy: -141.153 flat angles C4'-P-C4' energy: -131.648 flat angles P-C4'-P energy: -81.542 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -899.578579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.578579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.578579 (E_RNA) where: Base-Base interactions energy: -410.128 where: short stacking energy: -313.494 Base-Backbone interact. energy: 0.883 local terms energy: -490.333999 where: bonds (distance) C4'-P energy: -130.819 bonds (distance) P-C4' energy: -149.548 flat angles C4'-P-C4' energy: -136.883 flat angles P-C4'-P energy: -71.557 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -783.545200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.545200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.545200 (E_RNA) where: Base-Base interactions energy: -354.960 where: short stacking energy: -283.484 Base-Backbone interact. energy: -0.226 local terms energy: -428.359664 where: bonds (distance) C4'-P energy: -129.315 bonds (distance) P-C4' energy: -127.996 flat angles C4'-P-C4' energy: -139.288 flat angles P-C4'-P energy: -51.547 tors. eta vs tors. theta energy: 19.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2547.145046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.145046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.145046 (E_RNA) where: Base-Base interactions energy: -1608.191 where: short stacking energy: -945.833 Base-Backbone interact. energy: 5.461 local terms energy: -944.415354 where: bonds (distance) C4'-P energy: -187.423 bonds (distance) P-C4' energy: -174.826 flat angles C4'-P-C4' energy: -203.643 flat angles P-C4'-P energy: -129.423 tors. eta vs tors. theta energy: -249.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2469.290143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.290143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.290143 (E_RNA) where: Base-Base interactions energy: -1540.763 where: short stacking energy: -901.770 Base-Backbone interact. energy: -3.698 local terms energy: -924.829322 where: bonds (distance) C4'-P energy: -171.395 bonds (distance) P-C4' energy: -188.467 flat angles C4'-P-C4' energy: -206.999 flat angles P-C4'-P energy: -134.881 tors. eta vs tors. theta energy: -223.087 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: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2223.097109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.097109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.097109 (E_RNA) where: Base-Base interactions energy: -1352.392 where: short stacking energy: -846.050 Base-Backbone interact. energy: -1.374 local terms energy: -869.330396 where: bonds (distance) C4'-P energy: -173.894 bonds (distance) P-C4' energy: -168.410 flat angles C4'-P-C4' energy: -197.246 flat angles P-C4'-P energy: -117.564 tors. eta vs tors. theta energy: -212.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1955.499632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.499632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.499632 (E_RNA) where: Base-Base interactions energy: -1156.696 where: short stacking energy: -700.462 Base-Backbone interact. energy: 0.435 local terms energy: -799.239085 where: bonds (distance) C4'-P energy: -157.083 bonds (distance) P-C4' energy: -179.450 flat angles C4'-P-C4' energy: -191.337 flat angles P-C4'-P energy: -111.801 tors. eta vs tors. theta energy: -159.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1570.137776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.137776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.137776 (E_RNA) where: Base-Base interactions energy: -903.623 where: short stacking energy: -577.540 Base-Backbone interact. energy: -1.550 local terms energy: -664.964197 where: bonds (distance) C4'-P energy: -146.055 bonds (distance) P-C4' energy: -164.995 flat angles C4'-P-C4' energy: -157.444 flat angles P-C4'-P energy: -96.011 tors. eta vs tors. theta energy: -100.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1445.243148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.243148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.243148 (E_RNA) where: Base-Base interactions energy: -755.158 where: short stacking energy: -540.769 Base-Backbone interact. energy: -4.939 local terms energy: -685.146404 where: bonds (distance) C4'-P energy: -165.964 bonds (distance) P-C4' energy: -174.494 flat angles C4'-P-C4' energy: -145.705 flat angles P-C4'-P energy: -110.332 tors. eta vs tors. theta energy: -88.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1114.197717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.197717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.197717 (E_RNA) where: Base-Base interactions energy: -494.311 where: short stacking energy: -419.258 Base-Backbone interact. energy: 0.763 local terms energy: -620.650295 where: bonds (distance) C4'-P energy: -144.894 bonds (distance) P-C4' energy: -157.997 flat angles C4'-P-C4' energy: -159.531 flat angles P-C4'-P energy: -97.405 tors. eta vs tors. theta energy: -60.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -918.931423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.931423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.931423 (E_RNA) where: Base-Base interactions energy: -424.076 where: short stacking energy: -372.492 Base-Backbone interact. energy: 3.189 local terms energy: -498.044085 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -130.319 flat angles P-C4'-P energy: -76.269 tors. eta vs tors. theta energy: -7.399 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: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -906.304249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.304249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.304249 (E_RNA) where: Base-Base interactions energy: -388.261 where: short stacking energy: -323.285 Base-Backbone interact. energy: 5.117 local terms energy: -523.160655 where: bonds (distance) C4'-P energy: -144.758 bonds (distance) P-C4' energy: -147.605 flat angles C4'-P-C4' energy: -151.961 flat angles P-C4'-P energy: -85.525 tors. eta vs tors. theta energy: 6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -772.558564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.558564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.558564 (E_RNA) where: Base-Base interactions energy: -330.395 where: short stacking energy: -298.712 Base-Backbone interact. energy: 2.498 local terms energy: -444.661862 where: bonds (distance) C4'-P energy: -131.683 bonds (distance) P-C4' energy: -154.802 flat angles C4'-P-C4' energy: -82.017 flat angles P-C4'-P energy: -75.749 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2590.426598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.426598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.426598 (E_RNA) where: Base-Base interactions energy: -1621.303 where: short stacking energy: -971.282 Base-Backbone interact. energy: -9.210 local terms energy: -959.913659 where: bonds (distance) C4'-P energy: -190.808 bonds (distance) P-C4' energy: -179.371 flat angles C4'-P-C4' energy: -204.422 flat angles P-C4'-P energy: -138.719 tors. eta vs tors. theta energy: -246.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2441.504893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.504893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.504893 (E_RNA) where: Base-Base interactions energy: -1542.345 where: short stacking energy: -919.058 Base-Backbone interact. energy: 1.431 local terms energy: -900.591032 where: bonds (distance) C4'-P energy: -186.434 bonds (distance) P-C4' energy: -174.914 flat angles C4'-P-C4' energy: -204.399 flat angles P-C4'-P energy: -113.606 tors. eta vs tors. theta energy: -221.238 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: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2153.270191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.270191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.270191 (E_RNA) where: Base-Base interactions energy: -1320.260 where: short stacking energy: -834.124 Base-Backbone interact. energy: -5.303 local terms energy: -827.707195 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -163.359 flat angles C4'-P-C4' energy: -206.177 flat angles P-C4'-P energy: -115.017 tors. eta vs tors. theta energy: -200.003 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: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1930.935962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.935962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.935962 (E_RNA) where: Base-Base interactions energy: -1149.386 where: short stacking energy: -675.853 Base-Backbone interact. energy: -5.254 local terms energy: -776.295979 where: bonds (distance) C4'-P energy: -164.114 bonds (distance) P-C4' energy: -175.775 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -112.979 tors. eta vs tors. theta energy: -149.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1553.508181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.508181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.508181 (E_RNA) where: Base-Base interactions energy: -879.334 where: short stacking energy: -573.021 Base-Backbone interact. energy: -1.652 local terms energy: -672.521885 where: bonds (distance) C4'-P energy: -157.504 bonds (distance) P-C4' energy: -176.638 flat angles C4'-P-C4' energy: -152.639 flat angles P-C4'-P energy: -103.542 tors. eta vs tors. theta energy: -82.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1466.656669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.656669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.656669 (E_RNA) where: Base-Base interactions energy: -804.077 where: short stacking energy: -557.924 Base-Backbone interact. energy: -0.185 local terms energy: -662.394887 where: bonds (distance) C4'-P energy: -141.867 bonds (distance) P-C4' energy: -167.371 flat angles C4'-P-C4' energy: -159.600 flat angles P-C4'-P energy: -86.501 tors. eta vs tors. theta energy: -107.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1005.578532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.578532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.578532 (E_RNA) where: Base-Base interactions energy: -426.949 where: short stacking energy: -357.538 Base-Backbone interact. energy: -2.698 local terms energy: -575.931804 where: bonds (distance) C4'-P energy: -158.783 bonds (distance) P-C4' energy: -185.329 flat angles C4'-P-C4' energy: -136.120 flat angles P-C4'-P energy: -91.162 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -891.183641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.183641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.183641 (E_RNA) where: Base-Base interactions energy: -348.441 where: short stacking energy: -314.174 Base-Backbone interact. energy: -3.222 local terms energy: -539.520492 where: bonds (distance) C4'-P energy: -141.750 bonds (distance) P-C4' energy: -169.180 flat angles C4'-P-C4' energy: -141.486 flat angles P-C4'-P energy: -88.496 tors. eta vs tors. theta energy: 1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -861.315042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.315042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.315042 (E_RNA) where: Base-Base interactions energy: -356.366 where: short stacking energy: -304.283 Base-Backbone interact. energy: 2.396 local terms energy: -507.344523 where: bonds (distance) C4'-P energy: -126.413 bonds (distance) P-C4' energy: -151.637 flat angles C4'-P-C4' energy: -137.388 flat angles P-C4'-P energy: -82.108 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -762.244787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.244787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.244787 (E_RNA) where: Base-Base interactions energy: -296.320 where: short stacking energy: -263.069 Base-Backbone interact. energy: 4.846 local terms energy: -470.770089 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -144.241 flat angles C4'-P-C4' energy: -130.859 flat angles P-C4'-P energy: -82.413 tors. eta vs tors. theta energy: 23.396 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: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2617.575110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.575110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.575110 (E_RNA) where: Base-Base interactions energy: -1647.261 where: short stacking energy: -989.326 Base-Backbone interact. energy: -4.397 local terms energy: -965.917640 where: bonds (distance) C4'-P energy: -168.671 bonds (distance) P-C4' energy: -191.239 flat angles C4'-P-C4' energy: -211.885 flat angles P-C4'-P energy: -132.841 tors. eta vs tors. theta energy: -261.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2446.258183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.258183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.258183 (E_RNA) where: Base-Base interactions energy: -1536.087 where: short stacking energy: -901.074 Base-Backbone interact. energy: -2.960 local terms energy: -907.210930 where: bonds (distance) C4'-P energy: -164.085 bonds (distance) P-C4' energy: -182.084 flat angles C4'-P-C4' energy: -197.053 flat angles P-C4'-P energy: -133.922 tors. eta vs tors. theta energy: -230.067 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: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2194.257265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.257265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.257265 (E_RNA) where: Base-Base interactions energy: -1301.433 where: short stacking energy: -827.492 Base-Backbone interact. energy: 1.708 local terms energy: -894.531759 where: bonds (distance) C4'-P energy: -177.378 bonds (distance) P-C4' energy: -200.439 flat angles C4'-P-C4' energy: -184.675 flat angles P-C4'-P energy: -134.024 tors. eta vs tors. theta energy: -198.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1990.816440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.816440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.816440 (E_RNA) where: Base-Base interactions energy: -1197.303 where: short stacking energy: -754.624 Base-Backbone interact. energy: -6.949 local terms energy: -786.564364 where: bonds (distance) C4'-P energy: -178.050 bonds (distance) P-C4' energy: -146.405 flat angles C4'-P-C4' energy: -181.019 flat angles P-C4'-P energy: -118.378 tors. eta vs tors. theta energy: -162.712 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: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1588.355883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.355883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.355883 (E_RNA) where: Base-Base interactions energy: -883.067 where: short stacking energy: -566.797 Base-Backbone interact. energy: -3.016 local terms energy: -702.272912 where: bonds (distance) C4'-P energy: -144.694 bonds (distance) P-C4' energy: -167.482 flat angles C4'-P-C4' energy: -172.573 flat angles P-C4'-P energy: -125.007 tors. eta vs tors. theta energy: -92.516 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: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1386.334979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.334979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.334979 (E_RNA) where: Base-Base interactions energy: -737.755 where: short stacking energy: -520.253 Base-Backbone interact. energy: 0.679 local terms energy: -649.258426 where: bonds (distance) C4'-P energy: -145.178 bonds (distance) P-C4' energy: -162.372 flat angles C4'-P-C4' energy: -159.308 flat angles P-C4'-P energy: -100.055 tors. eta vs tors. theta energy: -82.345 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: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1027.441158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.441158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.441158 (E_RNA) where: Base-Base interactions energy: -482.261 where: short stacking energy: -406.518 Base-Backbone interact. energy: 1.585 local terms energy: -546.764491 where: bonds (distance) C4'-P energy: -149.291 bonds (distance) P-C4' energy: -151.145 flat angles C4'-P-C4' energy: -131.558 flat angles P-C4'-P energy: -90.587 tors. eta vs tors. theta energy: -24.184 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: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -963.491245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.491245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.491245 (E_RNA) where: Base-Base interactions energy: -415.297 where: short stacking energy: -358.314 Base-Backbone interact. energy: 2.866 local terms energy: -551.060087 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -154.339 flat angles C4'-P-C4' energy: -138.974 flat angles P-C4'-P energy: -95.165 tors. eta vs tors. theta energy: -16.213 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: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -931.775650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.775650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.775650 (E_RNA) where: Base-Base interactions energy: -425.804 where: short stacking energy: -352.673 Base-Backbone interact. energy: 4.541 local terms energy: -510.512866 where: bonds (distance) C4'-P energy: -152.672 bonds (distance) P-C4' energy: -152.780 flat angles C4'-P-C4' energy: -124.715 flat angles P-C4'-P energy: -79.913 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -738.830744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.830744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.830744 (E_RNA) where: Base-Base interactions energy: -266.294 where: short stacking energy: -238.429 Base-Backbone interact. energy: 7.167 local terms energy: -479.704547 where: bonds (distance) C4'-P energy: -150.924 bonds (distance) P-C4' energy: -162.153 flat angles C4'-P-C4' energy: -126.292 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: 24.727 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: 399 Temperature: 0.900000 Total energy: -2665.534485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.534485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.534485 (E_RNA) where: Base-Base interactions energy: -1672.870 where: short stacking energy: -993.474 Base-Backbone interact. energy: -6.898 local terms energy: -985.766880 where: bonds (distance) C4'-P energy: -184.339 bonds (distance) P-C4' energy: -175.536 flat angles C4'-P-C4' energy: -216.576 flat angles P-C4'-P energy: -137.150 tors. eta vs tors. theta energy: -272.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2487.251085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.251085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.251085 (E_RNA) where: Base-Base interactions energy: -1594.107 where: short stacking energy: -956.081 Base-Backbone interact. energy: -2.205 local terms energy: -890.938850 where: bonds (distance) C4'-P energy: -162.678 bonds (distance) P-C4' energy: -173.209 flat angles C4'-P-C4' energy: -181.075 flat angles P-C4'-P energy: -125.858 tors. eta vs tors. theta energy: -248.118 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: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2191.368600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.368600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.368600 (E_RNA) where: Base-Base interactions energy: -1362.835 where: short stacking energy: -822.426 Base-Backbone interact. energy: 1.133 local terms energy: -829.666116 where: bonds (distance) C4'-P energy: -161.352 bonds (distance) P-C4' energy: -164.197 flat angles C4'-P-C4' energy: -196.335 flat angles P-C4'-P energy: -124.913 tors. eta vs tors. theta energy: -182.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1930.138500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.138500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.138500 (E_RNA) where: Base-Base interactions energy: -1169.360 where: short stacking energy: -685.442 Base-Backbone interact. energy: 1.530 local terms energy: -762.308364 where: bonds (distance) C4'-P energy: -146.048 bonds (distance) P-C4' energy: -176.004 flat angles C4'-P-C4' energy: -175.910 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -153.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1574.297541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.297541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.297541 (E_RNA) where: Base-Base interactions energy: -890.399 where: short stacking energy: -558.892 Base-Backbone interact. energy: 2.171 local terms energy: -686.068928 where: bonds (distance) C4'-P energy: -160.942 bonds (distance) P-C4' energy: -150.473 flat angles C4'-P-C4' energy: -165.264 flat angles P-C4'-P energy: -112.463 tors. eta vs tors. theta energy: -96.926 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: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1334.898956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.898956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.898956 (E_RNA) where: Base-Base interactions energy: -689.124 where: short stacking energy: -491.260 Base-Backbone interact. energy: 0.556 local terms energy: -646.330989 where: bonds (distance) C4'-P energy: -150.765 bonds (distance) P-C4' energy: -187.603 flat angles C4'-P-C4' energy: -160.173 flat angles P-C4'-P energy: -75.289 tors. eta vs tors. theta energy: -72.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1126.291480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.291480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.291480 (E_RNA) where: Base-Base interactions energy: -592.204 where: short stacking energy: -494.661 Base-Backbone interact. energy: 7.118 local terms energy: -541.204974 where: bonds (distance) C4'-P energy: -131.215 bonds (distance) P-C4' energy: -155.558 flat angles C4'-P-C4' energy: -111.111 flat angles P-C4'-P energy: -85.405 tors. eta vs tors. theta energy: -57.915 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: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -954.204014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.204014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.204014 (E_RNA) where: Base-Base interactions energy: -391.997 where: short stacking energy: -331.524 Base-Backbone interact. energy: 0.910 local terms energy: -563.117344 where: bonds (distance) C4'-P energy: -150.493 bonds (distance) P-C4' energy: -150.471 flat angles C4'-P-C4' energy: -154.262 flat angles P-C4'-P energy: -94.650 tors. eta vs tors. theta energy: -13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -817.986263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.986263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.986263 (E_RNA) where: Base-Base interactions energy: -342.553 where: short stacking energy: -315.131 Base-Backbone interact. energy: 4.438 local terms energy: -479.870953 where: bonds (distance) C4'-P energy: -139.781 bonds (distance) P-C4' energy: -163.271 flat angles C4'-P-C4' energy: -134.903 flat angles P-C4'-P energy: -54.756 tors. eta vs tors. theta energy: 12.840 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: 399 Temperature: 1.350000 Total energy: -728.618891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.618891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.618891 (E_RNA) where: Base-Base interactions energy: -305.913 where: short stacking energy: -277.698 Base-Backbone interact. energy: 15.795 local terms energy: -438.500816 where: bonds (distance) C4'-P energy: -137.029 bonds (distance) P-C4' energy: -126.131 flat angles C4'-P-C4' energy: -123.308 flat angles P-C4'-P energy: -68.762 tors. eta vs tors. theta energy: 16.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2628.789260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.789260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.789260 (E_RNA) where: Base-Base interactions energy: -1662.685 where: short stacking energy: -991.746 Base-Backbone interact. energy: -6.524 local terms energy: -959.580908 where: bonds (distance) C4'-P energy: -175.191 bonds (distance) P-C4' energy: -176.467 flat angles C4'-P-C4' energy: -211.035 flat angles P-C4'-P energy: -133.336 tors. eta vs tors. theta energy: -263.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2483.891818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.891818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.891818 (E_RNA) where: Base-Base interactions energy: -1567.081 where: short stacking energy: -907.712 Base-Backbone interact. energy: -1.373 local terms energy: -915.437446 where: bonds (distance) C4'-P energy: -174.461 bonds (distance) P-C4' energy: -183.038 flat angles C4'-P-C4' energy: -203.529 flat angles P-C4'-P energy: -131.664 tors. eta vs tors. theta energy: -222.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2173.909267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.909267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.909267 (E_RNA) where: Base-Base interactions energy: -1327.441 where: short stacking energy: -801.783 Base-Backbone interact. energy: -1.814 local terms energy: -844.654443 where: bonds (distance) C4'-P energy: -180.923 bonds (distance) P-C4' energy: -177.535 flat angles C4'-P-C4' energy: -176.742 flat angles P-C4'-P energy: -134.309 tors. eta vs tors. theta energy: -175.146 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: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1892.328230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.328230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.328230 (E_RNA) where: Base-Base interactions energy: -1134.019 where: short stacking energy: -667.968 Base-Backbone interact. energy: -1.272 local terms energy: -757.037933 where: bonds (distance) C4'-P energy: -155.460 bonds (distance) P-C4' energy: -172.295 flat angles C4'-P-C4' energy: -179.714 flat angles P-C4'-P energy: -110.354 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: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1715.209017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.209017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.209017 (E_RNA) where: Base-Base interactions energy: -1008.697 where: short stacking energy: -659.623 Base-Backbone interact. energy: 0.848 local terms energy: -707.359940 where: bonds (distance) C4'-P energy: -137.106 bonds (distance) P-C4' energy: -167.936 flat angles C4'-P-C4' energy: -161.219 flat angles P-C4'-P energy: -123.579 tors. eta vs tors. theta energy: -117.519 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: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1344.062559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.062559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.062559 (E_RNA) where: Base-Base interactions energy: -726.266 where: short stacking energy: -524.578 Base-Backbone interact. energy: -2.004 local terms energy: -615.792507 where: bonds (distance) C4'-P energy: -140.891 bonds (distance) P-C4' energy: -164.397 flat angles C4'-P-C4' energy: -145.209 flat angles P-C4'-P energy: -98.719 tors. eta vs tors. theta energy: -66.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1063.535936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.535936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.535936 (E_RNA) where: Base-Base interactions energy: -504.002 where: short stacking energy: -403.281 Base-Backbone interact. energy: 5.123 local terms energy: -564.656684 where: bonds (distance) C4'-P energy: -158.976 bonds (distance) P-C4' energy: -165.227 flat angles C4'-P-C4' energy: -138.874 flat angles P-C4'-P energy: -62.722 tors. eta vs tors. theta energy: -38.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1013.897389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.897389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.897389 (E_RNA) where: Base-Base interactions energy: -496.401 where: short stacking energy: -343.795 Base-Backbone interact. energy: -4.899 local terms energy: -512.596851 where: bonds (distance) C4'-P energy: -147.487 bonds (distance) P-C4' energy: -161.366 flat angles C4'-P-C4' energy: -137.148 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -17.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -843.082196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.082196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.082196 (E_RNA) where: Base-Base interactions energy: -339.799 where: short stacking energy: -306.594 Base-Backbone interact. energy: 0.969 local terms energy: -504.252362 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -154.101 flat angles C4'-P-C4' energy: -120.507 flat angles P-C4'-P energy: -64.111 tors. eta vs tors. theta energy: -16.130 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: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -791.845397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.845397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.845397 (E_RNA) where: Base-Base interactions energy: -325.319 where: short stacking energy: -263.824 Base-Backbone interact. energy: 9.845 local terms energy: -476.371196 where: bonds (distance) C4'-P energy: -147.015 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -138.206 flat angles P-C4'-P energy: -60.295 tors. eta vs tors. theta energy: 20.613 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: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2612.790352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.790352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.790352 (E_RNA) where: Base-Base interactions energy: -1645.993 where: short stacking energy: -989.581 Base-Backbone interact. energy: -1.698 local terms energy: -965.099690 where: bonds (distance) C4'-P energy: -164.781 bonds (distance) P-C4' energy: -182.822 flat angles C4'-P-C4' energy: -196.172 flat angles P-C4'-P energy: -156.169 tors. eta vs tors. theta energy: -265.155 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: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2491.479390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.479390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.479390 (E_RNA) where: Base-Base interactions energy: -1584.912 where: short stacking energy: -926.574 Base-Backbone interact. energy: -0.553 local terms energy: -906.014796 where: bonds (distance) C4'-P energy: -161.412 bonds (distance) P-C4' energy: -172.361 flat angles C4'-P-C4' energy: -200.365 flat angles P-C4'-P energy: -142.715 tors. eta vs tors. theta energy: -229.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2197.195202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.195202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.195202 (E_RNA) where: Base-Base interactions energy: -1342.913 where: short stacking energy: -824.995 Base-Backbone interact. energy: -1.967 local terms energy: -852.315094 where: bonds (distance) C4'-P energy: -169.487 bonds (distance) P-C4' energy: -189.498 flat angles C4'-P-C4' energy: -184.316 flat angles P-C4'-P energy: -111.525 tors. eta vs tors. theta energy: -197.488 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: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1882.372787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.372787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.372787 (E_RNA) where: Base-Base interactions energy: -1143.366 where: short stacking energy: -682.507 Base-Backbone interact. energy: -3.085 local terms energy: -735.920933 where: bonds (distance) C4'-P energy: -163.905 bonds (distance) P-C4' energy: -152.506 flat angles C4'-P-C4' energy: -165.506 flat angles P-C4'-P energy: -126.709 tors. eta vs tors. theta energy: -127.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1642.183227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.183227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.183227 (E_RNA) where: Base-Base interactions energy: -954.530 where: short stacking energy: -590.311 Base-Backbone interact. energy: 1.307 local terms energy: -688.960496 where: bonds (distance) C4'-P energy: -143.651 bonds (distance) P-C4' energy: -169.246 flat angles C4'-P-C4' energy: -155.394 flat angles P-C4'-P energy: -109.674 tors. eta vs tors. theta energy: -110.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1335.050523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.050523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.050523 (E_RNA) where: Base-Base interactions energy: -720.667 where: short stacking energy: -499.972 Base-Backbone interact. energy: 2.510 local terms energy: -616.893395 where: bonds (distance) C4'-P energy: -142.262 bonds (distance) P-C4' energy: -161.254 flat angles C4'-P-C4' energy: -149.210 flat angles P-C4'-P energy: -101.945 tors. eta vs tors. theta energy: -62.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1057.012742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.012742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.012742 (E_RNA) where: Base-Base interactions energy: -508.111 where: short stacking energy: -386.500 Base-Backbone interact. energy: 4.522 local terms energy: -553.423580 where: bonds (distance) C4'-P energy: -137.007 bonds (distance) P-C4' energy: -156.125 flat angles C4'-P-C4' energy: -155.515 flat angles P-C4'-P energy: -86.762 tors. eta vs tors. theta energy: -18.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1053.449237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.449237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.449237 (E_RNA) where: Base-Base interactions energy: -487.128 where: short stacking energy: -364.215 Base-Backbone interact. energy: 1.953 local terms energy: -568.274687 where: bonds (distance) C4'-P energy: -156.630 bonds (distance) P-C4' energy: -165.064 flat angles C4'-P-C4' energy: -149.677 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -823.506779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.506779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.506779 (E_RNA) where: Base-Base interactions energy: -348.792 where: short stacking energy: -297.889 Base-Backbone interact. energy: -0.677 local terms energy: -474.038311 where: bonds (distance) C4'-P energy: -140.889 bonds (distance) P-C4' energy: -169.825 flat angles C4'-P-C4' energy: -111.788 flat angles P-C4'-P energy: -76.460 tors. eta vs tors. theta energy: 24.924 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: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -806.457374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.457374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.457374 (E_RNA) where: Base-Base interactions energy: -325.333 where: short stacking energy: -306.759 Base-Backbone interact. energy: 2.092 local terms energy: -483.216529 where: bonds (distance) C4'-P energy: -140.890 bonds (distance) P-C4' energy: -149.557 flat angles C4'-P-C4' energy: -135.719 flat angles P-C4'-P energy: -70.110 tors. eta vs tors. theta energy: 13.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2608.686001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.686001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.686001 (E_RNA) where: Base-Base interactions energy: -1650.154 where: short stacking energy: -982.835 Base-Backbone interact. energy: -2.900 local terms energy: -955.632273 where: bonds (distance) C4'-P energy: -179.299 bonds (distance) P-C4' energy: -190.923 flat angles C4'-P-C4' energy: -203.956 flat angles P-C4'-P energy: -133.932 tors. eta vs tors. theta energy: -247.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2512.541745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.541745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.541745 (E_RNA) where: Base-Base interactions energy: -1584.255 where: short stacking energy: -914.734 Base-Backbone interact. energy: -2.235 local terms energy: -926.052303 where: bonds (distance) C4'-P energy: -176.950 bonds (distance) P-C4' energy: -184.861 flat angles C4'-P-C4' energy: -202.448 flat angles P-C4'-P energy: -126.010 tors. eta vs tors. theta energy: -235.783 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: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2175.125912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.125912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.125912 (E_RNA) where: Base-Base interactions energy: -1305.960 where: short stacking energy: -797.039 Base-Backbone interact. energy: -4.894 local terms energy: -864.271485 where: bonds (distance) C4'-P energy: -156.942 bonds (distance) P-C4' energy: -192.939 flat angles C4'-P-C4' energy: -210.836 flat angles P-C4'-P energy: -125.248 tors. eta vs tors. theta energy: -178.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1876.088956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.088956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.088956 (E_RNA) where: Base-Base interactions energy: -1143.937 where: short stacking energy: -699.061 Base-Backbone interact. energy: -3.097 local terms energy: -729.055446 where: bonds (distance) C4'-P energy: -158.342 bonds (distance) P-C4' energy: -175.454 flat angles C4'-P-C4' energy: -167.579 flat angles P-C4'-P energy: -80.831 tors. eta vs tors. theta energy: -146.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1614.993908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.993908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.993908 (E_RNA) where: Base-Base interactions energy: -911.029 where: short stacking energy: -608.208 Base-Backbone interact. energy: -2.455 local terms energy: -701.510135 where: bonds (distance) C4'-P energy: -183.443 bonds (distance) P-C4' energy: -157.686 flat angles C4'-P-C4' energy: -167.725 flat angles P-C4'-P energy: -91.510 tors. eta vs tors. theta energy: -101.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1236.418448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.418448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.418448 (E_RNA) where: Base-Base interactions energy: -639.498 where: short stacking energy: -471.574 Base-Backbone interact. energy: 4.039 local terms energy: -600.960296 where: bonds (distance) C4'-P energy: -156.244 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -161.168 flat angles P-C4'-P energy: -94.032 tors. eta vs tors. theta energy: -54.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1055.497601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.497601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.497601 (E_RNA) where: Base-Base interactions energy: -475.423 where: short stacking energy: -391.051 Base-Backbone interact. energy: 3.382 local terms energy: -583.456885 where: bonds (distance) C4'-P energy: -166.406 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -145.654 flat angles P-C4'-P energy: -77.304 tors. eta vs tors. theta energy: -32.233 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: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -982.045085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.045085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.045085 (E_RNA) where: Base-Base interactions energy: -441.132 where: short stacking energy: -339.188 Base-Backbone interact. energy: 6.958 local terms energy: -547.872005 where: bonds (distance) C4'-P energy: -140.523 bonds (distance) P-C4' energy: -162.094 flat angles C4'-P-C4' energy: -130.438 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -9.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -827.066987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.066987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.066987 (E_RNA) where: Base-Base interactions energy: -352.710 where: short stacking energy: -307.007 Base-Backbone interact. energy: 0.707 local terms energy: -475.063681 where: bonds (distance) C4'-P energy: -146.592 bonds (distance) P-C4' energy: -150.352 flat angles C4'-P-C4' energy: -136.639 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: 7.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -743.450531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.450531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.450531 (E_RNA) where: Base-Base interactions energy: -300.304 where: short stacking energy: -253.691 Base-Backbone interact. energy: 0.743 local terms energy: -443.889370 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -146.390 flat angles C4'-P-C4' energy: -120.928 flat angles P-C4'-P energy: -79.580 tors. eta vs tors. theta energy: 15.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2610.399136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.399136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.399136 (E_RNA) where: Base-Base interactions energy: -1657.632 where: short stacking energy: -981.882 Base-Backbone interact. energy: -7.200 local terms energy: -945.567460 where: bonds (distance) C4'-P energy: -167.628 bonds (distance) P-C4' energy: -181.660 flat angles C4'-P-C4' energy: -205.415 flat angles P-C4'-P energy: -128.414 tors. eta vs tors. theta energy: -262.451 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: 403 Temperature: 0.950000 Total energy: -2453.662253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.662253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.662253 (E_RNA) where: Base-Base interactions energy: -1526.308 where: short stacking energy: -918.974 Base-Backbone interact. energy: -7.158 local terms energy: -920.196330 where: bonds (distance) C4'-P energy: -170.923 bonds (distance) P-C4' energy: -171.376 flat angles C4'-P-C4' energy: -198.338 flat angles P-C4'-P energy: -129.564 tors. eta vs tors. theta energy: -249.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2123.713688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.713688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.713688 (E_RNA) where: Base-Base interactions energy: -1281.502 where: short stacking energy: -763.266 Base-Backbone interact. energy: -2.904 local terms energy: -839.307765 where: bonds (distance) C4'-P energy: -159.967 bonds (distance) P-C4' energy: -178.078 flat angles C4'-P-C4' energy: -187.252 flat angles P-C4'-P energy: -126.825 tors. eta vs tors. theta energy: -187.186 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: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1891.699402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.699402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.699402 (E_RNA) where: Base-Base interactions energy: -1127.166 where: short stacking energy: -689.925 Base-Backbone interact. energy: -3.602 local terms energy: -760.931043 where: bonds (distance) C4'-P energy: -164.435 bonds (distance) P-C4' energy: -169.068 flat angles C4'-P-C4' energy: -185.458 flat angles P-C4'-P energy: -111.979 tors. eta vs tors. theta energy: -129.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1644.280225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.280225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.280225 (E_RNA) where: Base-Base interactions energy: -919.979 where: short stacking energy: -602.492 Base-Backbone interact. energy: 1.082 local terms energy: -725.383155 where: bonds (distance) C4'-P energy: -169.926 bonds (distance) P-C4' energy: -167.793 flat angles C4'-P-C4' energy: -191.795 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -93.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1273.561411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.561411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.561411 (E_RNA) where: Base-Base interactions energy: -641.158 where: short stacking energy: -452.816 Base-Backbone interact. energy: 3.998 local terms energy: -636.401849 where: bonds (distance) C4'-P energy: -165.772 bonds (distance) P-C4' energy: -171.484 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -51.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1109.775838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.775838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.775838 (E_RNA) where: Base-Base interactions energy: -543.306 where: short stacking energy: -418.100 Base-Backbone interact. energy: 0.940 local terms energy: -567.409946 where: bonds (distance) C4'-P energy: -147.940 bonds (distance) P-C4' energy: -164.140 flat angles C4'-P-C4' energy: -154.947 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -51.556 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: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -969.276311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.276311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.276311 (E_RNA) where: Base-Base interactions energy: -386.590 where: short stacking energy: -340.013 Base-Backbone interact. energy: 3.207 local terms energy: -585.893247 where: bonds (distance) C4'-P energy: -154.609 bonds (distance) P-C4' energy: -167.179 flat angles C4'-P-C4' energy: -164.573 flat angles P-C4'-P energy: -83.657 tors. eta vs tors. theta energy: -15.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -912.766026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.766026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.766026 (E_RNA) where: Base-Base interactions energy: -386.470 where: short stacking energy: -320.892 Base-Backbone interact. energy: 0.941 local terms energy: -527.237154 where: bonds (distance) C4'-P energy: -128.767 bonds (distance) P-C4' energy: -164.405 flat angles C4'-P-C4' energy: -146.735 flat angles P-C4'-P energy: -77.376 tors. eta vs tors. theta energy: -9.954 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: 403 Temperature: 1.350000 Total energy: -748.729589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.729589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.729589 (E_RNA) where: Base-Base interactions energy: -276.286 where: short stacking energy: -266.713 Base-Backbone interact. energy: -2.798 local terms energy: -469.645600 where: bonds (distance) C4'-P energy: -125.216 bonds (distance) P-C4' energy: -164.144 flat angles C4'-P-C4' energy: -124.009 flat angles P-C4'-P energy: -67.431 tors. eta vs tors. theta energy: 11.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2585.753208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.753208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.753208 (E_RNA) where: Base-Base interactions energy: -1617.745 where: short stacking energy: -955.953 Base-Backbone interact. energy: -5.435 local terms energy: -962.574018 where: bonds (distance) C4'-P energy: -172.088 bonds (distance) P-C4' energy: -176.890 flat angles C4'-P-C4' energy: -213.939 flat angles P-C4'-P energy: -139.094 tors. eta vs tors. theta energy: -260.564 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: 404 Temperature: 0.950000 Total energy: -2448.832160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.832160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.832160 (E_RNA) where: Base-Base interactions energy: -1541.499 where: short stacking energy: -906.353 Base-Backbone interact. energy: -2.435 local terms energy: -904.897549 where: bonds (distance) C4'-P energy: -164.226 bonds (distance) P-C4' energy: -189.818 flat angles C4'-P-C4' energy: -211.096 flat angles P-C4'-P energy: -125.619 tors. eta vs tors. theta energy: -214.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2106.131500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.131500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.131500 (E_RNA) where: Base-Base interactions energy: -1260.765 where: short stacking energy: -796.436 Base-Backbone interact. energy: -6.196 local terms energy: -839.170766 where: bonds (distance) C4'-P energy: -168.038 bonds (distance) P-C4' energy: -185.435 flat angles C4'-P-C4' energy: -189.304 flat angles P-C4'-P energy: -112.133 tors. eta vs tors. theta energy: -184.261 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: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1872.576416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.576416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.576416 (E_RNA) where: Base-Base interactions energy: -1113.592 where: short stacking energy: -668.648 Base-Backbone interact. energy: -4.516 local terms energy: -754.468382 where: bonds (distance) C4'-P energy: -174.508 bonds (distance) P-C4' energy: -174.959 flat angles C4'-P-C4' energy: -187.703 flat angles P-C4'-P energy: -89.141 tors. eta vs tors. theta energy: -128.157 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: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1591.950162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.950162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.950162 (E_RNA) where: Base-Base interactions energy: -891.064 where: short stacking energy: -598.760 Base-Backbone interact. energy: -6.400 local terms energy: -694.485988 where: bonds (distance) C4'-P energy: -154.269 bonds (distance) P-C4' energy: -165.701 flat angles C4'-P-C4' energy: -166.873 flat angles P-C4'-P energy: -96.806 tors. eta vs tors. theta energy: -110.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1272.034157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.034157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.034157 (E_RNA) where: Base-Base interactions energy: -683.127 where: short stacking energy: -443.979 Base-Backbone interact. energy: 8.413 local terms energy: -597.320430 where: bonds (distance) C4'-P energy: -139.504 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -165.611 flat angles P-C4'-P energy: -85.172 tors. eta vs tors. theta energy: -51.719 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: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1110.659857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.659857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.659857 (E_RNA) where: Base-Base interactions energy: -533.211 where: short stacking energy: -396.401 Base-Backbone interact. energy: -1.080 local terms energy: -576.369845 where: bonds (distance) C4'-P energy: -140.636 bonds (distance) P-C4' energy: -159.043 flat angles C4'-P-C4' energy: -153.229 flat angles P-C4'-P energy: -99.884 tors. eta vs tors. theta energy: -23.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -982.555844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.555844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.555844 (E_RNA) where: Base-Base interactions energy: -454.454 where: short stacking energy: -360.403 Base-Backbone interact. energy: -1.821 local terms energy: -526.281328 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -164.097 flat angles C4'-P-C4' energy: -131.267 flat angles P-C4'-P energy: -60.739 tors. eta vs tors. theta energy: -21.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -845.372232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.372232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.372232 (E_RNA) where: Base-Base interactions energy: -358.719 where: short stacking energy: -316.590 Base-Backbone interact. energy: 2.624 local terms energy: -489.277272 where: bonds (distance) C4'-P energy: -144.950 bonds (distance) P-C4' energy: -165.466 flat angles C4'-P-C4' energy: -113.366 flat angles P-C4'-P energy: -63.929 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -748.673036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.673036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.673036 (E_RNA) where: Base-Base interactions energy: -305.048 where: short stacking energy: -282.649 Base-Backbone interact. energy: -1.403 local terms energy: -442.221280 where: bonds (distance) C4'-P energy: -137.083 bonds (distance) P-C4' energy: -150.070 flat angles C4'-P-C4' energy: -99.626 flat angles P-C4'-P energy: -66.357 tors. eta vs tors. theta energy: 10.916 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: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2615.357862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.357862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.357862 (E_RNA) where: Base-Base interactions energy: -1631.158 where: short stacking energy: -1000.309 Base-Backbone interact. energy: -1.366 local terms energy: -982.834556 where: bonds (distance) C4'-P energy: -168.343 bonds (distance) P-C4' energy: -198.355 flat angles C4'-P-C4' energy: -209.829 flat angles P-C4'-P energy: -146.648 tors. eta vs tors. theta energy: -259.659 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: 405 Temperature: 0.950000 Total energy: -2440.822451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.822451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.822451 (E_RNA) where: Base-Base interactions energy: -1538.356 where: short stacking energy: -918.673 Base-Backbone interact. energy: -5.682 local terms energy: -896.784808 where: bonds (distance) C4'-P energy: -165.742 bonds (distance) P-C4' energy: -183.708 flat angles C4'-P-C4' energy: -183.037 flat angles P-C4'-P energy: -132.942 tors. eta vs tors. theta energy: -231.356 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: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2180.267854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.267854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.267854 (E_RNA) where: Base-Base interactions energy: -1322.548 where: short stacking energy: -820.352 Base-Backbone interact. energy: -2.947 local terms energy: -854.772860 where: bonds (distance) C4'-P energy: -145.241 bonds (distance) P-C4' energy: -170.291 flat angles C4'-P-C4' energy: -184.741 flat angles P-C4'-P energy: -138.458 tors. eta vs tors. theta energy: -216.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1855.252434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.252434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.252434 (E_RNA) where: Base-Base interactions energy: -1123.417 where: short stacking energy: -676.923 Base-Backbone interact. energy: -0.195 local terms energy: -731.640755 where: bonds (distance) C4'-P energy: -149.720 bonds (distance) P-C4' energy: -171.655 flat angles C4'-P-C4' energy: -171.697 flat angles P-C4'-P energy: -117.876 tors. eta vs tors. theta energy: -120.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1570.036980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.036980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.036980 (E_RNA) where: Base-Base interactions energy: -888.819 where: short stacking energy: -582.209 Base-Backbone interact. energy: -1.472 local terms energy: -679.745559 where: bonds (distance) C4'-P energy: -161.942 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -164.825 flat angles P-C4'-P energy: -104.070 tors. eta vs tors. theta energy: -94.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1303.904867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.904867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.904867 (E_RNA) where: Base-Base interactions energy: -685.621 where: short stacking energy: -471.879 Base-Backbone interact. energy: 1.548 local terms energy: -619.832713 where: bonds (distance) C4'-P energy: -148.448 bonds (distance) P-C4' energy: -158.103 flat angles C4'-P-C4' energy: -164.918 flat angles P-C4'-P energy: -83.331 tors. eta vs tors. theta energy: -65.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1113.141731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.141731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.141731 (E_RNA) where: Base-Base interactions energy: -515.522 where: short stacking energy: -401.468 Base-Backbone interact. energy: -3.863 local terms energy: -593.756770 where: bonds (distance) C4'-P energy: -152.034 bonds (distance) P-C4' energy: -160.754 flat angles C4'-P-C4' energy: -126.194 flat angles P-C4'-P energy: -114.062 tors. eta vs tors. theta energy: -40.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -967.141326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.141326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.141326 (E_RNA) where: Base-Base interactions energy: -402.826 where: short stacking energy: -322.719 Base-Backbone interact. energy: 2.673 local terms energy: -566.987754 where: bonds (distance) C4'-P energy: -168.719 bonds (distance) P-C4' energy: -165.502 flat angles C4'-P-C4' energy: -132.793 flat angles P-C4'-P energy: -92.528 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -834.203203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.203203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.203203 (E_RNA) where: Base-Base interactions energy: -359.883 where: short stacking energy: -286.296 Base-Backbone interact. energy: 3.110 local terms energy: -477.431003 where: bonds (distance) C4'-P energy: -151.177 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -123.742 flat angles P-C4'-P energy: -72.674 tors. eta vs tors. theta energy: 13.916 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: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -757.864216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.864216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.864216 (E_RNA) where: Base-Base interactions energy: -277.491 where: short stacking energy: -250.101 Base-Backbone interact. energy: 4.434 local terms energy: -484.806544 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -127.062 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: 4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2609.887517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.887517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.887517 (E_RNA) where: Base-Base interactions energy: -1650.601 where: short stacking energy: -976.294 Base-Backbone interact. energy: -3.432 local terms energy: -955.854898 where: bonds (distance) C4'-P energy: -181.397 bonds (distance) P-C4' energy: -175.018 flat angles C4'-P-C4' energy: -207.784 flat angles P-C4'-P energy: -131.965 tors. eta vs tors. theta energy: -259.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2441.429211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.429211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.429211 (E_RNA) where: Base-Base interactions energy: -1525.727 where: short stacking energy: -923.355 Base-Backbone interact. energy: -0.868 local terms energy: -914.834158 where: bonds (distance) C4'-P energy: -169.578 bonds (distance) P-C4' energy: -183.764 flat angles C4'-P-C4' energy: -202.019 flat angles P-C4'-P energy: -125.084 tors. eta vs tors. theta energy: -234.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2166.642005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.642005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.642005 (E_RNA) where: Base-Base interactions energy: -1290.880 where: short stacking energy: -830.521 Base-Backbone interact. energy: -1.787 local terms energy: -873.975611 where: bonds (distance) C4'-P energy: -170.738 bonds (distance) P-C4' energy: -183.309 flat angles C4'-P-C4' energy: -191.030 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -212.706 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: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1880.309197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.309197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.309197 (E_RNA) where: Base-Base interactions energy: -1119.308 where: short stacking energy: -691.666 Base-Backbone interact. energy: -0.148 local terms energy: -760.853286 where: bonds (distance) C4'-P energy: -153.792 bonds (distance) P-C4' energy: -172.578 flat angles C4'-P-C4' energy: -183.828 flat angles P-C4'-P energy: -113.817 tors. eta vs tors. theta energy: -136.838 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: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1675.405514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.405514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.405514 (E_RNA) where: Base-Base interactions energy: -965.962 where: short stacking energy: -626.006 Base-Backbone interact. energy: -3.224 local terms energy: -706.219828 where: bonds (distance) C4'-P energy: -152.589 bonds (distance) P-C4' energy: -162.280 flat angles C4'-P-C4' energy: -176.912 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -113.251 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1296.260666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.260666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.260666 (E_RNA) where: Base-Base interactions energy: -673.452 where: short stacking energy: -463.594 Base-Backbone interact. energy: -4.541 local terms energy: -618.268342 where: bonds (distance) C4'-P energy: -163.559 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -164.361 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -55.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1027.144143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.144143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.144143 (E_RNA) where: Base-Base interactions energy: -450.488 where: short stacking energy: -388.801 Base-Backbone interact. energy: 5.936 local terms energy: -582.592893 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -169.711 flat angles C4'-P-C4' energy: -157.309 flat angles P-C4'-P energy: -75.874 tors. eta vs tors. theta energy: -28.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1045.649831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.649831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.649831 (E_RNA) where: Base-Base interactions energy: -506.992 where: short stacking energy: -427.762 Base-Backbone interact. energy: 7.736 local terms energy: -546.393546 where: bonds (distance) C4'-P energy: -172.275 bonds (distance) P-C4' energy: -147.038 flat angles C4'-P-C4' energy: -112.949 flat angles P-C4'-P energy: -80.864 tors. eta vs tors. theta energy: -33.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -820.722656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.722656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.722656 (E_RNA) where: Base-Base interactions energy: -297.091 where: short stacking energy: -272.769 Base-Backbone interact. energy: -3.704 local terms energy: -519.927545 where: bonds (distance) C4'-P energy: -156.498 bonds (distance) P-C4' energy: -164.912 flat angles C4'-P-C4' energy: -151.284 flat angles P-C4'-P energy: -71.305 tors. eta vs tors. theta energy: 24.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -778.622627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.622627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.622627 (E_RNA) where: Base-Base interactions energy: -313.763 where: short stacking energy: -271.569 Base-Backbone interact. energy: 0.652 local terms energy: -465.511177 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -124.176 flat angles C4'-P-C4' energy: -136.255 flat angles P-C4'-P energy: -75.020 tors. eta vs tors. theta energy: 11.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2588.628861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.628861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.628861 (E_RNA) where: Base-Base interactions energy: -1612.182 where: short stacking energy: -952.754 Base-Backbone interact. energy: -5.764 local terms energy: -970.682854 where: bonds (distance) C4'-P energy: -201.482 bonds (distance) P-C4' energy: -174.439 flat angles C4'-P-C4' energy: -208.802 flat angles P-C4'-P energy: -132.932 tors. eta vs tors. theta energy: -253.027 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: 407 Temperature: 0.950000 Total energy: -2473.339331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.339331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.339331 (E_RNA) where: Base-Base interactions energy: -1558.100 where: short stacking energy: -958.371 Base-Backbone interact. energy: -4.584 local terms energy: -910.655401 where: bonds (distance) C4'-P energy: -173.509 bonds (distance) P-C4' energy: -182.365 flat angles C4'-P-C4' energy: -199.693 flat angles P-C4'-P energy: -119.983 tors. eta vs tors. theta energy: -235.106 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: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2172.260641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.260641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.260641 (E_RNA) where: Base-Base interactions energy: -1321.604 where: short stacking energy: -835.503 Base-Backbone interact. energy: -3.149 local terms energy: -847.507522 where: bonds (distance) C4'-P energy: -178.929 bonds (distance) P-C4' energy: -156.137 flat angles C4'-P-C4' energy: -195.410 flat angles P-C4'-P energy: -111.721 tors. eta vs tors. theta energy: -205.311 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: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1912.703493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.703493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.703493 (E_RNA) where: Base-Base interactions energy: -1178.609 where: short stacking energy: -696.324 Base-Backbone interact. energy: -2.638 local terms energy: -731.456750 where: bonds (distance) C4'-P energy: -156.955 bonds (distance) P-C4' energy: -152.638 flat angles C4'-P-C4' energy: -177.345 flat angles P-C4'-P energy: -107.373 tors. eta vs tors. theta energy: -137.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1646.056009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.056009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.056009 (E_RNA) where: Base-Base interactions energy: -922.173 where: short stacking energy: -583.256 Base-Backbone interact. energy: -1.172 local terms energy: -722.710811 where: bonds (distance) C4'-P energy: -153.367 bonds (distance) P-C4' energy: -172.609 flat angles C4'-P-C4' energy: -166.209 flat angles P-C4'-P energy: -114.125 tors. eta vs tors. theta energy: -116.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1313.358715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.358715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.358715 (E_RNA) where: Base-Base interactions energy: -706.839 where: short stacking energy: -477.064 Base-Backbone interact. energy: -3.046 local terms energy: -603.473420 where: bonds (distance) C4'-P energy: -158.990 bonds (distance) P-C4' energy: -150.870 flat angles C4'-P-C4' energy: -135.667 flat angles P-C4'-P energy: -97.691 tors. eta vs tors. theta energy: -60.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1170.469390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.469390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.469390 (E_RNA) where: Base-Base interactions energy: -559.422 where: short stacking energy: -437.103 Base-Backbone interact. energy: -0.080 local terms energy: -610.967225 where: bonds (distance) C4'-P energy: -138.841 bonds (distance) P-C4' energy: -153.593 flat angles C4'-P-C4' energy: -157.893 flat angles P-C4'-P energy: -107.977 tors. eta vs tors. theta energy: -52.663 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: 407 Temperature: 1.250000 Total energy: -1022.178201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.178201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.178201 (E_RNA) where: Base-Base interactions energy: -473.867 where: short stacking energy: -384.764 Base-Backbone interact. energy: 4.339 local terms energy: -552.650524 where: bonds (distance) C4'-P energy: -135.896 bonds (distance) P-C4' energy: -175.375 flat angles C4'-P-C4' energy: -129.363 flat angles P-C4'-P energy: -76.486 tors. eta vs tors. theta energy: -35.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -804.998332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.998332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.998332 (E_RNA) where: Base-Base interactions energy: -342.810 where: short stacking energy: -291.664 Base-Backbone interact. energy: 6.037 local terms energy: -468.225218 where: bonds (distance) C4'-P energy: -131.136 bonds (distance) P-C4' energy: -139.415 flat angles C4'-P-C4' energy: -141.376 flat angles P-C4'-P energy: -72.272 tors. eta vs tors. theta energy: 15.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -745.628812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.628812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.628812 (E_RNA) where: Base-Base interactions energy: -275.833 where: short stacking energy: -257.571 Base-Backbone interact. energy: 0.346 local terms energy: -470.142280 where: bonds (distance) C4'-P energy: -120.309 bonds (distance) P-C4' energy: -157.465 flat angles C4'-P-C4' energy: -131.126 flat angles P-C4'-P energy: -86.423 tors. eta vs tors. theta energy: 25.180 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: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2565.837482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.837482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.837482 (E_RNA) where: Base-Base interactions energy: -1574.165 where: short stacking energy: -980.337 Base-Backbone interact. energy: -6.596 local terms energy: -985.076932 where: bonds (distance) C4'-P energy: -187.764 bonds (distance) P-C4' energy: -193.017 flat angles C4'-P-C4' energy: -201.946 flat angles P-C4'-P energy: -149.789 tors. eta vs tors. theta energy: -252.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2438.013242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.013242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.013242 (E_RNA) where: Base-Base interactions energy: -1521.021 where: short stacking energy: -929.407 Base-Backbone interact. energy: -4.784 local terms energy: -912.208432 where: bonds (distance) C4'-P energy: -166.529 bonds (distance) P-C4' energy: -176.778 flat angles C4'-P-C4' energy: -199.047 flat angles P-C4'-P energy: -131.411 tors. eta vs tors. theta energy: -238.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2157.669741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.669741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.669741 (E_RNA) where: Base-Base interactions energy: -1365.075 where: short stacking energy: -793.268 Base-Backbone interact. energy: -4.057 local terms energy: -788.537763 where: bonds (distance) C4'-P energy: -148.308 bonds (distance) P-C4' energy: -165.782 flat angles C4'-P-C4' energy: -170.251 flat angles P-C4'-P energy: -123.143 tors. eta vs tors. theta energy: -181.054 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: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1936.078211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.078211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.078211 (E_RNA) where: Base-Base interactions energy: -1153.971 where: short stacking energy: -715.373 Base-Backbone interact. energy: 0.061 local terms energy: -782.168389 where: bonds (distance) C4'-P energy: -169.827 bonds (distance) P-C4' energy: -179.313 flat angles C4'-P-C4' energy: -171.396 flat angles P-C4'-P energy: -116.748 tors. eta vs tors. theta energy: -144.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1653.329546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.329546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.329546 (E_RNA) where: Base-Base interactions energy: -943.442 where: short stacking energy: -598.969 Base-Backbone interact. energy: -2.816 local terms energy: -707.071238 where: bonds (distance) C4'-P energy: -157.440 bonds (distance) P-C4' energy: -168.463 flat angles C4'-P-C4' energy: -164.547 flat angles P-C4'-P energy: -112.737 tors. eta vs tors. theta energy: -103.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1306.444047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.444047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.444047 (E_RNA) where: Base-Base interactions energy: -645.650 where: short stacking energy: -464.123 Base-Backbone interact. energy: -1.983 local terms energy: -658.811031 where: bonds (distance) C4'-P energy: -165.944 bonds (distance) P-C4' energy: -179.379 flat angles C4'-P-C4' energy: -146.122 flat angles P-C4'-P energy: -95.986 tors. eta vs tors. theta energy: -71.380 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: 408 Temperature: 1.200000 Total energy: -1102.831213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.831213 (E_RNA) where: Base-Base interactions energy: -539.282 where: short stacking energy: -440.630 Base-Backbone interact. energy: 1.625 local terms energy: -565.173457 where: bonds (distance) C4'-P energy: -143.076 bonds (distance) P-C4' energy: -181.197 flat angles C4'-P-C4' energy: -137.882 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -23.916 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: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -933.773469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.773469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.773469 (E_RNA) where: Base-Base interactions energy: -422.252 where: short stacking energy: -347.494 Base-Backbone interact. energy: -0.232 local terms energy: -511.289626 where: bonds (distance) C4'-P energy: -149.464 bonds (distance) P-C4' energy: -131.742 flat angles C4'-P-C4' energy: -129.438 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -14.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -887.619977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.619977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.619977 (E_RNA) where: Base-Base interactions energy: -389.567 where: short stacking energy: -333.604 Base-Backbone interact. energy: -3.263 local terms energy: -494.789545 where: bonds (distance) C4'-P energy: -145.850 bonds (distance) P-C4' energy: -157.547 flat angles C4'-P-C4' energy: -115.068 flat angles P-C4'-P energy: -74.185 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -749.260516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.260516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.260516 (E_RNA) where: Base-Base interactions energy: -308.411 where: short stacking energy: -271.424 Base-Backbone interact. energy: 2.685 local terms energy: -443.533968 where: bonds (distance) C4'-P energy: -148.370 bonds (distance) P-C4' energy: -112.575 flat angles C4'-P-C4' energy: -120.047 flat angles P-C4'-P energy: -80.521 tors. eta vs tors. theta energy: 17.979 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: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2613.817086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.817086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.817086 (E_RNA) where: Base-Base interactions energy: -1648.070 where: short stacking energy: -983.801 Base-Backbone interact. energy: -7.084 local terms energy: -958.663635 where: bonds (distance) C4'-P energy: -169.689 bonds (distance) P-C4' energy: -190.444 flat angles C4'-P-C4' energy: -201.510 flat angles P-C4'-P energy: -139.302 tors. eta vs tors. theta energy: -257.718 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: 409 Temperature: 0.950000 Total energy: -2411.205667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.205667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.205667 (E_RNA) where: Base-Base interactions energy: -1508.067 where: short stacking energy: -892.491 Base-Backbone interact. energy: -0.217 local terms energy: -902.922004 where: bonds (distance) C4'-P energy: -182.846 bonds (distance) P-C4' energy: -187.567 flat angles C4'-P-C4' energy: -191.847 flat angles P-C4'-P energy: -131.003 tors. eta vs tors. theta energy: -209.659 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: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2206.954279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.954279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.954279 (E_RNA) where: Base-Base interactions energy: -1344.307 where: short stacking energy: -821.469 Base-Backbone interact. energy: -1.282 local terms energy: -861.364788 where: bonds (distance) C4'-P energy: -164.694 bonds (distance) P-C4' energy: -181.714 flat angles C4'-P-C4' energy: -195.351 flat angles P-C4'-P energy: -126.819 tors. eta vs tors. theta energy: -192.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1923.536008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.536008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.536008 (E_RNA) where: Base-Base interactions energy: -1130.540 where: short stacking energy: -699.756 Base-Backbone interact. energy: 1.058 local terms energy: -794.053957 where: bonds (distance) C4'-P energy: -157.448 bonds (distance) P-C4' energy: -184.882 flat angles C4'-P-C4' energy: -193.879 flat angles P-C4'-P energy: -114.488 tors. eta vs tors. theta energy: -143.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1676.998538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.998538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.998538 (E_RNA) where: Base-Base interactions energy: -961.900 where: short stacking energy: -614.342 Base-Backbone interact. energy: 2.095 local terms energy: -717.193265 where: bonds (distance) C4'-P energy: -166.980 bonds (distance) P-C4' energy: -169.596 flat angles C4'-P-C4' energy: -163.540 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -120.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1271.681690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.681690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.681690 (E_RNA) where: Base-Base interactions energy: -643.319 where: short stacking energy: -453.432 Base-Backbone interact. energy: -4.989 local terms energy: -623.374523 where: bonds (distance) C4'-P energy: -157.504 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -169.398 flat angles P-C4'-P energy: -86.282 tors. eta vs tors. theta energy: -66.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1095.695860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.695860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.695860 (E_RNA) where: Base-Base interactions energy: -509.675 where: short stacking energy: -413.901 Base-Backbone interact. energy: -0.002 local terms energy: -586.018745 where: bonds (distance) C4'-P energy: -167.197 bonds (distance) P-C4' energy: -162.649 flat angles C4'-P-C4' energy: -126.297 flat angles P-C4'-P energy: -96.917 tors. eta vs tors. theta energy: -32.959 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: 409 Temperature: 1.250000 Total energy: -1040.172183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.172183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.172183 (E_RNA) where: Base-Base interactions energy: -486.694 where: short stacking energy: -433.194 Base-Backbone interact. energy: 1.352 local terms energy: -554.830126 where: bonds (distance) C4'-P energy: -157.863 bonds (distance) P-C4' energy: -138.750 flat angles C4'-P-C4' energy: -150.806 flat angles P-C4'-P energy: -69.033 tors. eta vs tors. theta energy: -38.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -824.892150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.892150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.892150 (E_RNA) where: Base-Base interactions energy: -316.186 where: short stacking energy: -286.780 Base-Backbone interact. energy: -0.988 local terms energy: -507.718341 where: bonds (distance) C4'-P energy: -156.120 bonds (distance) P-C4' energy: -132.948 flat angles C4'-P-C4' energy: -137.233 flat angles P-C4'-P energy: -83.498 tors. eta vs tors. theta energy: 2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -757.759932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.759932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.759932 (E_RNA) where: Base-Base interactions energy: -316.043 where: short stacking energy: -255.484 Base-Backbone interact. energy: -1.740 local terms energy: -439.976229 where: bonds (distance) C4'-P energy: -144.304 bonds (distance) P-C4' energy: -160.274 flat angles C4'-P-C4' energy: -114.075 flat angles P-C4'-P energy: -59.218 tors. eta vs tors. theta energy: 37.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2591.767712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.767712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.767712 (E_RNA) where: Base-Base interactions energy: -1609.617 where: short stacking energy: -980.083 Base-Backbone interact. energy: -4.088 local terms energy: -978.062559 where: bonds (distance) C4'-P energy: -186.690 bonds (distance) P-C4' energy: -179.412 flat angles C4'-P-C4' energy: -200.515 flat angles P-C4'-P energy: -149.071 tors. eta vs tors. theta energy: -262.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2347.090208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.090208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.090208 (E_RNA) where: Base-Base interactions energy: -1449.025 where: short stacking energy: -865.400 Base-Backbone interact. energy: -3.460 local terms energy: -894.604650 where: bonds (distance) C4'-P energy: -169.537 bonds (distance) P-C4' energy: -179.871 flat angles C4'-P-C4' energy: -205.335 flat angles P-C4'-P energy: -129.463 tors. eta vs tors. theta energy: -210.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2231.516911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.516911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.516911 (E_RNA) where: Base-Base interactions energy: -1375.058 where: short stacking energy: -837.749 Base-Backbone interact. energy: 0.780 local terms energy: -857.238827 where: bonds (distance) C4'-P energy: -167.254 bonds (distance) P-C4' energy: -170.254 flat angles C4'-P-C4' energy: -199.876 flat angles P-C4'-P energy: -113.012 tors. eta vs tors. theta energy: -206.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1912.802401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.802401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.802401 (E_RNA) where: Base-Base interactions energy: -1157.664 where: short stacking energy: -682.352 Base-Backbone interact. energy: -5.733 local terms energy: -749.405992 where: bonds (distance) C4'-P energy: -152.480 bonds (distance) P-C4' energy: -166.347 flat angles C4'-P-C4' energy: -178.162 flat angles P-C4'-P energy: -110.910 tors. eta vs tors. theta energy: -141.507 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: 410 Temperature: 1.100000 Total energy: -1682.631829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.631829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.631829 (E_RNA) where: Base-Base interactions energy: -958.546 where: short stacking energy: -625.837 Base-Backbone interact. energy: -0.512 local terms energy: -723.573437 where: bonds (distance) C4'-P energy: -164.665 bonds (distance) P-C4' energy: -166.422 flat angles C4'-P-C4' energy: -168.853 flat angles P-C4'-P energy: -102.837 tors. eta vs tors. theta energy: -120.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1330.941915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.941915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.941915 (E_RNA) where: Base-Base interactions energy: -675.075 where: short stacking energy: -507.901 Base-Backbone interact. energy: -2.200 local terms energy: -653.667097 where: bonds (distance) C4'-P energy: -153.685 bonds (distance) P-C4' energy: -157.247 flat angles C4'-P-C4' energy: -148.026 flat angles P-C4'-P energy: -120.263 tors. eta vs tors. theta energy: -74.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1161.892719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.892719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.892719 (E_RNA) where: Base-Base interactions energy: -578.257 where: short stacking energy: -464.791 Base-Backbone interact. energy: 3.635 local terms energy: -587.270896 where: bonds (distance) C4'-P energy: -146.034 bonds (distance) P-C4' energy: -162.272 flat angles C4'-P-C4' energy: -146.130 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -44.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -997.809123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.809123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.809123 (E_RNA) where: Base-Base interactions energy: -418.372 where: short stacking energy: -380.632 Base-Backbone interact. energy: -1.284 local terms energy: -578.152990 where: bonds (distance) C4'-P energy: -153.255 bonds (distance) P-C4' energy: -160.683 flat angles C4'-P-C4' energy: -130.049 flat angles P-C4'-P energy: -97.694 tors. eta vs tors. theta energy: -36.472 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: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -838.601844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.601844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.601844 (E_RNA) where: Base-Base interactions energy: -340.933 where: short stacking energy: -315.494 Base-Backbone interact. energy: 2.885 local terms energy: -500.554463 where: bonds (distance) C4'-P energy: -149.239 bonds (distance) P-C4' energy: -154.279 flat angles C4'-P-C4' energy: -144.476 flat angles P-C4'-P energy: -59.102 tors. eta vs tors. theta energy: 6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -787.550660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.550660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.550660 (E_RNA) where: Base-Base interactions energy: -351.009 where: short stacking energy: -278.094 Base-Backbone interact. energy: -0.402 local terms energy: -436.139804 where: bonds (distance) C4'-P energy: -136.728 bonds (distance) P-C4' energy: -140.697 flat angles C4'-P-C4' energy: -128.982 flat angles P-C4'-P energy: -46.975 tors. eta vs tors. theta energy: 17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2599.379818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.379818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.379818 (E_RNA) where: Base-Base interactions energy: -1627.161 where: short stacking energy: -954.906 Base-Backbone interact. energy: -4.019 local terms energy: -968.199305 where: bonds (distance) C4'-P energy: -172.374 bonds (distance) P-C4' energy: -186.060 flat angles C4'-P-C4' energy: -220.099 flat angles P-C4'-P energy: -135.070 tors. eta vs tors. theta energy: -254.596 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: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2399.553330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.553330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.553330 (E_RNA) where: Base-Base interactions energy: -1472.904 where: short stacking energy: -917.975 Base-Backbone interact. energy: -0.775 local terms energy: -925.874013 where: bonds (distance) C4'-P energy: -180.836 bonds (distance) P-C4' energy: -174.251 flat angles C4'-P-C4' energy: -204.830 flat angles P-C4'-P energy: -127.246 tors. eta vs tors. theta energy: -238.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2265.850865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.850865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.850865 (E_RNA) where: Base-Base interactions energy: -1378.545 where: short stacking energy: -814.496 Base-Backbone interact. energy: -2.699 local terms energy: -884.607024 where: bonds (distance) C4'-P energy: -160.275 bonds (distance) P-C4' energy: -187.766 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -128.448 tors. eta vs tors. theta energy: -209.570 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: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1963.091815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.091815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.091815 (E_RNA) where: Base-Base interactions energy: -1187.067 where: short stacking energy: -733.187 Base-Backbone interact. energy: 1.995 local terms energy: -778.019354 where: bonds (distance) C4'-P energy: -160.183 bonds (distance) P-C4' energy: -164.945 flat angles C4'-P-C4' energy: -189.832 flat angles P-C4'-P energy: -100.953 tors. eta vs tors. theta energy: -162.106 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: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1639.239540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.239540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.239540 (E_RNA) where: Base-Base interactions energy: -950.888 where: short stacking energy: -623.655 Base-Backbone interact. energy: -0.116 local terms energy: -688.236427 where: bonds (distance) C4'-P energy: -161.000 bonds (distance) P-C4' energy: -170.709 flat angles C4'-P-C4' energy: -159.147 flat angles P-C4'-P energy: -85.529 tors. eta vs tors. theta energy: -111.852 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: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1380.786555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.786555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.786555 (E_RNA) where: Base-Base interactions energy: -715.625 where: short stacking energy: -481.616 Base-Backbone interact. energy: -3.724 local terms energy: -661.437349 where: bonds (distance) C4'-P energy: -182.523 bonds (distance) P-C4' energy: -140.355 flat angles C4'-P-C4' energy: -150.030 flat angles P-C4'-P energy: -112.087 tors. eta vs tors. theta energy: -76.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1122.365529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.365529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.365529 (E_RNA) where: Base-Base interactions energy: -527.578 where: short stacking energy: -415.945 Base-Backbone interact. energy: -0.322 local terms energy: -594.466435 where: bonds (distance) C4'-P energy: -159.325 bonds (distance) P-C4' energy: -160.060 flat angles C4'-P-C4' energy: -135.441 flat angles P-C4'-P energy: -90.513 tors. eta vs tors. theta energy: -49.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -981.277468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.277468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.277468 (E_RNA) where: Base-Base interactions energy: -422.382 where: short stacking energy: -369.673 Base-Backbone interact. energy: 0.407 local terms energy: -559.303184 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -176.229 flat angles C4'-P-C4' energy: -135.370 flat angles P-C4'-P energy: -90.518 tors. eta vs tors. theta energy: -27.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -837.850011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.850011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.850011 (E_RNA) where: Base-Base interactions energy: -354.833 where: short stacking energy: -282.444 Base-Backbone interact. energy: -1.126 local terms energy: -481.891581 where: bonds (distance) C4'-P energy: -128.872 bonds (distance) P-C4' energy: -143.488 flat angles C4'-P-C4' energy: -146.206 flat angles P-C4'-P energy: -83.822 tors. eta vs tors. theta energy: 20.495 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: 411 Temperature: 1.350000 Total energy: -762.958357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.958357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.958357 (E_RNA) where: Base-Base interactions energy: -333.781 where: short stacking energy: -288.506 Base-Backbone interact. energy: -1.037 local terms energy: -428.140417 where: bonds (distance) C4'-P energy: -146.669 bonds (distance) P-C4' energy: -139.265 flat angles C4'-P-C4' energy: -104.351 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: 16.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2594.790522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.790522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.790522 (E_RNA) where: Base-Base interactions energy: -1628.914 where: short stacking energy: -942.343 Base-Backbone interact. energy: -1.300 local terms energy: -964.576502 where: bonds (distance) C4'-P energy: -177.665 bonds (distance) P-C4' energy: -182.046 flat angles C4'-P-C4' energy: -213.254 flat angles P-C4'-P energy: -147.776 tors. eta vs tors. theta energy: -243.835 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: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2417.642055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.642055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.642055 (E_RNA) where: Base-Base interactions energy: -1501.722 where: short stacking energy: -938.715 Base-Backbone interact. energy: -2.764 local terms energy: -913.155553 where: bonds (distance) C4'-P energy: -170.558 bonds (distance) P-C4' energy: -181.223 flat angles C4'-P-C4' energy: -199.395 flat angles P-C4'-P energy: -123.955 tors. eta vs tors. theta energy: -238.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2255.695919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.695919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.695919 (E_RNA) where: Base-Base interactions energy: -1391.980 where: short stacking energy: -823.228 Base-Backbone interact. energy: -2.778 local terms energy: -860.938073 where: bonds (distance) C4'-P energy: -175.377 bonds (distance) P-C4' energy: -155.553 flat angles C4'-P-C4' energy: -216.535 flat angles P-C4'-P energy: -135.287 tors. eta vs tors. theta energy: -178.185 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: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1937.498331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.498331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.498331 (E_RNA) where: Base-Base interactions energy: -1156.186 where: short stacking energy: -736.735 Base-Backbone interact. energy: -2.995 local terms energy: -778.317861 where: bonds (distance) C4'-P energy: -160.271 bonds (distance) P-C4' energy: -178.675 flat angles C4'-P-C4' energy: -172.605 flat angles P-C4'-P energy: -117.059 tors. eta vs tors. theta energy: -149.708 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: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1640.345774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.345774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.345774 (E_RNA) where: Base-Base interactions energy: -948.090 where: short stacking energy: -620.029 Base-Backbone interact. energy: 9.703 local terms energy: -701.959675 where: bonds (distance) C4'-P energy: -160.189 bonds (distance) P-C4' energy: -152.940 flat angles C4'-P-C4' energy: -161.427 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -126.750 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: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1419.607754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.607754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.607754 (E_RNA) where: Base-Base interactions energy: -769.516 where: short stacking energy: -530.183 Base-Backbone interact. energy: 0.845 local terms energy: -650.937199 where: bonds (distance) C4'-P energy: -131.280 bonds (distance) P-C4' energy: -160.570 flat angles C4'-P-C4' energy: -173.500 flat angles P-C4'-P energy: -100.965 tors. eta vs tors. theta energy: -84.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1067.676843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.676843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.676843 (E_RNA) where: Base-Base interactions energy: -492.215 where: short stacking energy: -386.730 Base-Backbone interact. energy: -3.639 local terms energy: -571.822755 where: bonds (distance) C4'-P energy: -133.779 bonds (distance) P-C4' energy: -166.456 flat angles C4'-P-C4' energy: -151.382 flat angles P-C4'-P energy: -94.573 tors. eta vs tors. theta energy: -25.633 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: 412 Temperature: 1.250000 Total energy: -956.396054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.396054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.396054 (E_RNA) where: Base-Base interactions energy: -392.650 where: short stacking energy: -344.176 Base-Backbone interact. energy: 1.926 local terms energy: -565.671764 where: bonds (distance) C4'-P energy: -166.116 bonds (distance) P-C4' energy: -143.579 flat angles C4'-P-C4' energy: -152.528 flat angles P-C4'-P energy: -86.311 tors. eta vs tors. theta energy: -17.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -884.745356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.745356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.745356 (E_RNA) where: Base-Base interactions energy: -372.451 where: short stacking energy: -347.060 Base-Backbone interact. energy: 4.208 local terms energy: -516.502849 where: bonds (distance) C4'-P energy: -155.169 bonds (distance) P-C4' energy: -156.786 flat angles C4'-P-C4' energy: -124.922 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -751.075155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.075155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.075155 (E_RNA) where: Base-Base interactions energy: -278.308 where: short stacking energy: -247.512 Base-Backbone interact. energy: 0.288 local terms energy: -473.054817 where: bonds (distance) C4'-P energy: -139.853 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -141.830 flat angles P-C4'-P energy: -77.394 tors. eta vs tors. theta energy: 29.305 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: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2579.964454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.964454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.964454 (E_RNA) where: Base-Base interactions energy: -1602.302 where: short stacking energy: -974.219 Base-Backbone interact. energy: -6.772 local terms energy: -970.889647 where: bonds (distance) C4'-P energy: -175.407 bonds (distance) P-C4' energy: -193.198 flat angles C4'-P-C4' energy: -212.485 flat angles P-C4'-P energy: -130.646 tors. eta vs tors. theta energy: -259.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2380.580442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.580442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.580442 (E_RNA) where: Base-Base interactions energy: -1459.418 where: short stacking energy: -902.166 Base-Backbone interact. energy: -0.659 local terms energy: -920.503823 where: bonds (distance) C4'-P energy: -160.335 bonds (distance) P-C4' energy: -179.896 flat angles C4'-P-C4' energy: -201.819 flat angles P-C4'-P energy: -143.421 tors. eta vs tors. theta energy: -235.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2318.727924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.727924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.727924 (E_RNA) where: Base-Base interactions energy: -1434.588 where: short stacking energy: -867.938 Base-Backbone interact. energy: -1.862 local terms energy: -882.278246 where: bonds (distance) C4'-P energy: -161.183 bonds (distance) P-C4' energy: -184.225 flat angles C4'-P-C4' energy: -197.660 flat angles P-C4'-P energy: -129.761 tors. eta vs tors. theta energy: -209.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1937.627251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.627251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.627251 (E_RNA) where: Base-Base interactions energy: -1175.715 where: short stacking energy: -685.225 Base-Backbone interact. energy: -2.962 local terms energy: -758.950391 where: bonds (distance) C4'-P energy: -141.250 bonds (distance) P-C4' energy: -181.070 flat angles C4'-P-C4' energy: -185.101 flat angles P-C4'-P energy: -117.206 tors. eta vs tors. theta energy: -134.324 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: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1670.021858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.021858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.021858 (E_RNA) where: Base-Base interactions energy: -921.941 where: short stacking energy: -610.167 Base-Backbone interact. energy: -0.024 local terms energy: -748.057516 where: bonds (distance) C4'-P energy: -174.428 bonds (distance) P-C4' energy: -173.627 flat angles C4'-P-C4' energy: -163.613 flat angles P-C4'-P energy: -116.376 tors. eta vs tors. theta energy: -120.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1376.833169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.833169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.833169 (E_RNA) where: Base-Base interactions energy: -743.949 where: short stacking energy: -492.454 Base-Backbone interact. energy: -0.036 local terms energy: -632.848492 where: bonds (distance) C4'-P energy: -156.388 bonds (distance) P-C4' energy: -166.083 flat angles C4'-P-C4' energy: -148.274 flat angles P-C4'-P energy: -99.266 tors. eta vs tors. theta energy: -62.838 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: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1093.239664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.239664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.239664 (E_RNA) where: Base-Base interactions energy: -520.376 where: short stacking energy: -388.779 Base-Backbone interact. energy: -5.216 local terms energy: -567.647479 where: bonds (distance) C4'-P energy: -157.173 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -137.945 flat angles P-C4'-P energy: -78.829 tors. eta vs tors. theta energy: -37.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -951.055324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.055324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.055324 (E_RNA) where: Base-Base interactions energy: -425.208 where: short stacking energy: -366.364 Base-Backbone interact. energy: -1.414 local terms energy: -524.434024 where: bonds (distance) C4'-P energy: -157.787 bonds (distance) P-C4' energy: -147.122 flat angles C4'-P-C4' energy: -138.493 flat angles P-C4'-P energy: -65.326 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -859.007886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.007886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.007886 (E_RNA) where: Base-Base interactions energy: -366.867 where: short stacking energy: -336.636 Base-Backbone interact. energy: -0.131 local terms energy: -492.009620 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -143.349 flat angles C4'-P-C4' energy: -141.353 flat angles P-C4'-P energy: -68.770 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -755.494520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.494520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.494520 (E_RNA) where: Base-Base interactions energy: -277.288 where: short stacking energy: -244.736 Base-Backbone interact. energy: 4.068 local terms energy: -482.275166 where: bonds (distance) C4'-P energy: -165.425 bonds (distance) P-C4' energy: -158.135 flat angles C4'-P-C4' energy: -122.583 flat angles P-C4'-P energy: -45.763 tors. eta vs tors. theta energy: 9.631 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: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2582.489184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.489184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.489184 (E_RNA) where: Base-Base interactions energy: -1619.168 where: short stacking energy: -961.107 Base-Backbone interact. energy: -5.836 local terms energy: -957.485188 where: bonds (distance) C4'-P energy: -184.757 bonds (distance) P-C4' energy: -183.469 flat angles C4'-P-C4' energy: -206.903 flat angles P-C4'-P energy: -136.237 tors. eta vs tors. theta energy: -246.119 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: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2425.370051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.370051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.370051 (E_RNA) where: Base-Base interactions energy: -1497.543 where: short stacking energy: -948.213 Base-Backbone interact. energy: -1.418 local terms energy: -926.409234 where: bonds (distance) C4'-P energy: -171.081 bonds (distance) P-C4' energy: -187.986 flat angles C4'-P-C4' energy: -204.043 flat angles P-C4'-P energy: -126.475 tors. eta vs tors. theta energy: -236.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2291.695927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.695927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.695927 (E_RNA) where: Base-Base interactions energy: -1443.631 where: short stacking energy: -846.076 Base-Backbone interact. energy: -3.823 local terms energy: -844.242448 where: bonds (distance) C4'-P energy: -157.799 bonds (distance) P-C4' energy: -181.645 flat angles C4'-P-C4' energy: -184.751 flat angles P-C4'-P energy: -114.382 tors. eta vs tors. theta energy: -205.666 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: 414 Temperature: 1.050000 Total energy: -1948.406773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.406773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.406773 (E_RNA) where: Base-Base interactions energy: -1162.954 where: short stacking energy: -701.143 Base-Backbone interact. energy: -1.877 local terms energy: -783.575018 where: bonds (distance) C4'-P energy: -155.885 bonds (distance) P-C4' energy: -192.610 flat angles C4'-P-C4' energy: -188.860 flat angles P-C4'-P energy: -98.751 tors. eta vs tors. theta energy: -147.469 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: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1621.937416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.937416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.937416 (E_RNA) where: Base-Base interactions energy: -902.166 where: short stacking energy: -590.598 Base-Backbone interact. energy: -0.236 local terms energy: -719.535521 where: bonds (distance) C4'-P energy: -161.032 bonds (distance) P-C4' energy: -187.046 flat angles C4'-P-C4' energy: -172.849 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -101.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1404.359986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.359986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.359986 (E_RNA) where: Base-Base interactions energy: -760.488 where: short stacking energy: -512.443 Base-Backbone interact. energy: -0.074 local terms energy: -643.797377 where: bonds (distance) C4'-P energy: -144.788 bonds (distance) P-C4' energy: -160.884 flat angles C4'-P-C4' energy: -151.548 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -82.832 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: 7, replica: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1063.816974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.816974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.816974 (E_RNA) where: Base-Base interactions energy: -490.087 where: short stacking energy: -393.224 Base-Backbone interact. energy: 2.494 local terms energy: -576.223534 where: bonds (distance) C4'-P energy: -162.656 bonds (distance) P-C4' energy: -163.323 flat angles C4'-P-C4' energy: -144.293 flat angles P-C4'-P energy: -91.152 tors. eta vs tors. theta energy: -14.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -981.462837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.462837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.462837 (E_RNA) where: Base-Base interactions energy: -419.633 where: short stacking energy: -360.546 Base-Backbone interact. energy: -0.839 local terms energy: -560.990881 where: bonds (distance) C4'-P energy: -148.392 bonds (distance) P-C4' energy: -170.210 flat angles C4'-P-C4' energy: -112.814 flat angles P-C4'-P energy: -89.107 tors. eta vs tors. theta energy: -40.468 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: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -845.318462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.318462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.318462 (E_RNA) where: Base-Base interactions energy: -339.140 where: short stacking energy: -306.837 Base-Backbone interact. energy: -0.061 local terms energy: -506.117403 where: bonds (distance) C4'-P energy: -133.361 bonds (distance) P-C4' energy: -156.215 flat angles C4'-P-C4' energy: -136.132 flat angles P-C4'-P energy: -80.826 tors. eta vs tors. theta energy: 0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -756.746028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.746028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.746028 (E_RNA) where: Base-Base interactions energy: -302.660 where: short stacking energy: -279.939 Base-Backbone interact. energy: 2.487 local terms energy: -456.572869 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -151.938 flat angles C4'-P-C4' energy: -123.887 flat angles P-C4'-P energy: -43.217 tors. eta vs tors. theta energy: 11.871 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: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2575.922461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.922461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.922461 (E_RNA) where: Base-Base interactions energy: -1613.352 where: short stacking energy: -990.213 Base-Backbone interact. energy: 4.139 local terms energy: -966.709693 where: bonds (distance) C4'-P energy: -178.549 bonds (distance) P-C4' energy: -177.975 flat angles C4'-P-C4' energy: -213.021 flat angles P-C4'-P energy: -143.577 tors. eta vs tors. theta energy: -253.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2417.496327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.496327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.496327 (E_RNA) where: Base-Base interactions energy: -1481.221 where: short stacking energy: -918.502 Base-Backbone interact. energy: -2.238 local terms energy: -934.037296 where: bonds (distance) C4'-P energy: -169.090 bonds (distance) P-C4' energy: -188.322 flat angles C4'-P-C4' energy: -205.718 flat angles P-C4'-P energy: -123.919 tors. eta vs tors. theta energy: -246.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2231.546081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.546081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.546081 (E_RNA) where: Base-Base interactions energy: -1413.491 where: short stacking energy: -806.435 Base-Backbone interact. energy: 3.221 local terms energy: -821.275263 where: bonds (distance) C4'-P energy: -159.611 bonds (distance) P-C4' energy: -167.769 flat angles C4'-P-C4' energy: -185.819 flat angles P-C4'-P energy: -124.000 tors. eta vs tors. theta energy: -184.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1948.411370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.411370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.411370 (E_RNA) where: Base-Base interactions energy: -1190.213 where: short stacking energy: -682.288 Base-Backbone interact. energy: 5.926 local terms energy: -764.124078 where: bonds (distance) C4'-P energy: -153.641 bonds (distance) P-C4' energy: -172.868 flat angles C4'-P-C4' energy: -190.358 flat angles P-C4'-P energy: -115.893 tors. eta vs tors. theta energy: -131.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1562.728253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.728253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.728253 (E_RNA) where: Base-Base interactions energy: -882.918 where: short stacking energy: -605.920 Base-Backbone interact. energy: 2.472 local terms energy: -682.282616 where: bonds (distance) C4'-P energy: -142.228 bonds (distance) P-C4' energy: -167.443 flat angles C4'-P-C4' energy: -162.070 flat angles P-C4'-P energy: -99.753 tors. eta vs tors. theta energy: -110.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1256.082850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.082850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.082850 (E_RNA) where: Base-Base interactions energy: -628.000 where: short stacking energy: -444.816 Base-Backbone interact. energy: -6.698 local terms energy: -621.385299 where: bonds (distance) C4'-P energy: -179.489 bonds (distance) P-C4' energy: -150.217 flat angles C4'-P-C4' energy: -158.361 flat angles P-C4'-P energy: -87.952 tors. eta vs tors. theta energy: -45.366 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: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1127.346268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.346268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.346268 (E_RNA) where: Base-Base interactions energy: -528.477 where: short stacking energy: -426.065 Base-Backbone interact. energy: -1.075 local terms energy: -597.794594 where: bonds (distance) C4'-P energy: -146.752 bonds (distance) P-C4' energy: -152.930 flat angles C4'-P-C4' energy: -159.096 flat angles P-C4'-P energy: -105.750 tors. eta vs tors. theta energy: -33.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -925.545631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.545631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.545631 (E_RNA) where: Base-Base interactions energy: -383.833 where: short stacking energy: -340.009 Base-Backbone interact. energy: 4.296 local terms energy: -546.008896 where: bonds (distance) C4'-P energy: -131.351 bonds (distance) P-C4' energy: -179.509 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -97.159 tors. eta vs tors. theta energy: -6.200 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: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -851.906233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.906233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.906233 (E_RNA) where: Base-Base interactions energy: -371.243 where: short stacking energy: -296.604 Base-Backbone interact. energy: 1.233 local terms energy: -481.895899 where: bonds (distance) C4'-P energy: -126.091 bonds (distance) P-C4' energy: -168.116 flat angles C4'-P-C4' energy: -130.969 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: 6.471 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: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -770.174648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.174648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.174648 (E_RNA) where: Base-Base interactions energy: -304.568 where: short stacking energy: -268.309 Base-Backbone interact. energy: 9.626 local terms energy: -475.232354 where: bonds (distance) C4'-P energy: -149.531 bonds (distance) P-C4' energy: -153.370 flat angles C4'-P-C4' energy: -135.166 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: 25.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2606.756014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.756014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.756014 (E_RNA) where: Base-Base interactions energy: -1629.763 where: short stacking energy: -955.748 Base-Backbone interact. energy: -1.064 local terms energy: -975.929085 where: bonds (distance) C4'-P energy: -189.915 bonds (distance) P-C4' energy: -176.985 flat angles C4'-P-C4' energy: -217.582 flat angles P-C4'-P energy: -136.133 tors. eta vs tors. theta energy: -255.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2421.969884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.969884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.969884 (E_RNA) where: Base-Base interactions energy: -1467.073 where: short stacking energy: -932.491 Base-Backbone interact. energy: -3.243 local terms energy: -951.653677 where: bonds (distance) C4'-P energy: -170.033 bonds (distance) P-C4' energy: -191.014 flat angles C4'-P-C4' energy: -211.911 flat angles P-C4'-P energy: -121.596 tors. eta vs tors. theta energy: -257.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2211.537327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.537327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.537327 (E_RNA) where: Base-Base interactions energy: -1370.045 where: short stacking energy: -813.281 Base-Backbone interact. energy: -2.566 local terms energy: -838.926715 where: bonds (distance) C4'-P energy: -155.780 bonds (distance) P-C4' energy: -173.972 flat angles C4'-P-C4' energy: -193.278 flat angles P-C4'-P energy: -125.567 tors. eta vs tors. theta energy: -190.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1926.574721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.574721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.574721 (E_RNA) where: Base-Base interactions energy: -1140.878 where: short stacking energy: -656.430 Base-Backbone interact. energy: -1.034 local terms energy: -784.662862 where: bonds (distance) C4'-P energy: -157.471 bonds (distance) P-C4' energy: -179.689 flat angles C4'-P-C4' energy: -183.063 flat angles P-C4'-P energy: -109.485 tors. eta vs tors. theta energy: -154.955 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: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1494.129940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.129940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.129940 (E_RNA) where: Base-Base interactions energy: -816.775 where: short stacking energy: -559.568 Base-Backbone interact. energy: -2.322 local terms energy: -675.033228 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -154.070 flat angles C4'-P-C4' energy: -167.707 flat angles P-C4'-P energy: -104.901 tors. eta vs tors. theta energy: -95.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1365.592821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.592821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.592821 (E_RNA) where: Base-Base interactions energy: -714.302 where: short stacking energy: -505.634 Base-Backbone interact. energy: 1.386 local terms energy: -652.676418 where: bonds (distance) C4'-P energy: -158.166 bonds (distance) P-C4' energy: -161.096 flat angles C4'-P-C4' energy: -170.087 flat angles P-C4'-P energy: -97.919 tors. eta vs tors. theta energy: -65.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1146.539441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.539441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.539441 (E_RNA) where: Base-Base interactions energy: -551.521 where: short stacking energy: -416.339 Base-Backbone interact. energy: -0.833 local terms energy: -594.184717 where: bonds (distance) C4'-P energy: -161.448 bonds (distance) P-C4' energy: -159.678 flat angles C4'-P-C4' energy: -147.259 flat angles P-C4'-P energy: -88.440 tors. eta vs tors. theta energy: -37.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1031.124339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.124339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.124339 (E_RNA) where: Base-Base interactions energy: -471.484 where: short stacking energy: -411.122 Base-Backbone interact. energy: -0.235 local terms energy: -559.405105 where: bonds (distance) C4'-P energy: -156.256 bonds (distance) P-C4' energy: -168.210 flat angles C4'-P-C4' energy: -135.994 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -29.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -828.413047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.413047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.413047 (E_RNA) where: Base-Base interactions energy: -308.798 where: short stacking energy: -277.042 Base-Backbone interact. energy: 8.556 local terms energy: -528.171034 where: bonds (distance) C4'-P energy: -135.041 bonds (distance) P-C4' energy: -162.470 flat angles C4'-P-C4' energy: -128.876 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -5.954 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: 416 Temperature: 1.350000 Total energy: -798.601922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.601922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.601922 (E_RNA) where: Base-Base interactions energy: -319.102 where: short stacking energy: -273.073 Base-Backbone interact. energy: 0.313 local terms energy: -479.813333 where: bonds (distance) C4'-P energy: -153.880 bonds (distance) P-C4' energy: -114.734 flat angles C4'-P-C4' energy: -126.620 flat angles P-C4'-P energy: -88.720 tors. eta vs tors. theta energy: 4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2566.793311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.793311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.793311 (E_RNA) where: Base-Base interactions energy: -1628.123 where: short stacking energy: -983.270 Base-Backbone interact. energy: -8.060 local terms energy: -930.609834 where: bonds (distance) C4'-P energy: -149.758 bonds (distance) P-C4' energy: -188.323 flat angles C4'-P-C4' energy: -210.110 flat angles P-C4'-P energy: -138.270 tors. eta vs tors. theta energy: -244.149 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: 417 Temperature: 0.950000 Total energy: -2464.712925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.712925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.712925 (E_RNA) where: Base-Base interactions energy: -1526.082 where: short stacking energy: -952.779 Base-Backbone interact. energy: -2.218 local terms energy: -936.413703 where: bonds (distance) C4'-P energy: -167.607 bonds (distance) P-C4' energy: -189.726 flat angles C4'-P-C4' energy: -198.572 flat angles P-C4'-P energy: -138.939 tors. eta vs tors. theta energy: -241.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2258.732163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.732163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.732163 (E_RNA) where: Base-Base interactions energy: -1410.186 where: short stacking energy: -853.787 Base-Backbone interact. energy: 4.481 local terms energy: -853.026397 where: bonds (distance) C4'-P energy: -149.650 bonds (distance) P-C4' energy: -187.228 flat angles C4'-P-C4' energy: -189.212 flat angles P-C4'-P energy: -122.350 tors. eta vs tors. theta energy: -204.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1909.760812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.760812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.760812 (E_RNA) where: Base-Base interactions energy: -1162.002 where: short stacking energy: -720.494 Base-Backbone interact. energy: 2.337 local terms energy: -750.096375 where: bonds (distance) C4'-P energy: -158.087 bonds (distance) P-C4' energy: -151.929 flat angles C4'-P-C4' energy: -185.187 flat angles P-C4'-P energy: -107.483 tors. eta vs tors. theta energy: -147.410 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: 5, replica: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1504.512387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.512387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.512387 (E_RNA) where: Base-Base interactions energy: -826.354 where: short stacking energy: -579.678 Base-Backbone interact. energy: -0.866 local terms energy: -677.292246 where: bonds (distance) C4'-P energy: -153.141 bonds (distance) P-C4' energy: -173.331 flat angles C4'-P-C4' energy: -157.861 flat angles P-C4'-P energy: -85.636 tors. eta vs tors. theta energy: -107.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1322.161284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.161284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.161284 (E_RNA) where: Base-Base interactions energy: -709.084 where: short stacking energy: -487.019 Base-Backbone interact. energy: -2.884 local terms energy: -610.193724 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -144.815 flat angles C4'-P-C4' energy: -148.106 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -70.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1135.978437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.978437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.978437 (E_RNA) where: Base-Base interactions energy: -580.720 where: short stacking energy: -427.122 Base-Backbone interact. energy: -3.002 local terms energy: -552.256067 where: bonds (distance) C4'-P energy: -133.858 bonds (distance) P-C4' energy: -147.799 flat angles C4'-P-C4' energy: -167.718 flat angles P-C4'-P energy: -89.267 tors. eta vs tors. theta energy: -13.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1003.671879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.671879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.671879 (E_RNA) where: Base-Base interactions energy: -440.749 where: short stacking energy: -369.563 Base-Backbone interact. energy: -1.732 local terms energy: -561.190256 where: bonds (distance) C4'-P energy: -141.596 bonds (distance) P-C4' energy: -161.202 flat angles C4'-P-C4' energy: -124.392 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -40.154 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: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -820.048458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.048458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.048458 (E_RNA) where: Base-Base interactions energy: -350.575 where: short stacking energy: -323.977 Base-Backbone interact. energy: 0.812 local terms energy: -470.285078 where: bonds (distance) C4'-P energy: -123.628 bonds (distance) P-C4' energy: -159.331 flat angles C4'-P-C4' energy: -116.424 flat angles P-C4'-P energy: -78.391 tors. eta vs tors. theta energy: 7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -743.163227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.163227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.163227 (E_RNA) where: Base-Base interactions energy: -254.888 where: short stacking energy: -230.675 Base-Backbone interact. energy: 1.596 local terms energy: -489.871421 where: bonds (distance) C4'-P energy: -154.518 bonds (distance) P-C4' energy: -155.535 flat angles C4'-P-C4' energy: -126.460 flat angles P-C4'-P energy: -74.796 tors. eta vs tors. theta energy: 21.437 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: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2551.176225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.176225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.176225 (E_RNA) where: Base-Base interactions energy: -1608.806 where: short stacking energy: -948.380 Base-Backbone interact. energy: -1.074 local terms energy: -941.296265 where: bonds (distance) C4'-P energy: -184.121 bonds (distance) P-C4' energy: -174.026 flat angles C4'-P-C4' energy: -207.903 flat angles P-C4'-P energy: -134.400 tors. eta vs tors. theta energy: -240.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2424.527947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.527947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.527947 (E_RNA) where: Base-Base interactions energy: -1529.701 where: short stacking energy: -937.311 Base-Backbone interact. energy: 0.172 local terms energy: -894.998554 where: bonds (distance) C4'-P energy: -165.073 bonds (distance) P-C4' energy: -172.036 flat angles C4'-P-C4' energy: -196.023 flat angles P-C4'-P energy: -132.590 tors. eta vs tors. theta energy: -229.277 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: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2251.819473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.819473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.819473 (E_RNA) where: Base-Base interactions energy: -1392.089 where: short stacking energy: -836.243 Base-Backbone interact. energy: -3.224 local terms energy: -856.505835 where: bonds (distance) C4'-P energy: -160.809 bonds (distance) P-C4' energy: -178.980 flat angles C4'-P-C4' energy: -199.083 flat angles P-C4'-P energy: -122.672 tors. eta vs tors. theta energy: -194.962 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: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1902.787551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.787551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.787551 (E_RNA) where: Base-Base interactions energy: -1142.779 where: short stacking energy: -689.136 Base-Backbone interact. energy: -0.252 local terms energy: -759.756113 where: bonds (distance) C4'-P energy: -175.491 bonds (distance) P-C4' energy: -178.635 flat angles C4'-P-C4' energy: -170.537 flat angles P-C4'-P energy: -98.122 tors. eta vs tors. theta energy: -136.971 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1476.086520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.086520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.086520 (E_RNA) where: Base-Base interactions energy: -790.105 where: short stacking energy: -524.644 Base-Backbone interact. energy: 0.596 local terms energy: -686.577698 where: bonds (distance) C4'-P energy: -162.781 bonds (distance) P-C4' energy: -184.271 flat angles C4'-P-C4' energy: -173.456 flat angles P-C4'-P energy: -96.362 tors. eta vs tors. theta energy: -69.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1374.696356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.696356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.696356 (E_RNA) where: Base-Base interactions energy: -771.627 where: short stacking energy: -509.513 Base-Backbone interact. energy: -4.232 local terms energy: -598.837527 where: bonds (distance) C4'-P energy: -132.248 bonds (distance) P-C4' energy: -146.758 flat angles C4'-P-C4' energy: -156.455 flat angles P-C4'-P energy: -84.687 tors. eta vs tors. theta energy: -78.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1148.420802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.420802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.420802 (E_RNA) where: Base-Base interactions energy: -542.440 where: short stacking energy: -419.499 Base-Backbone interact. energy: 8.890 local terms energy: -614.870987 where: bonds (distance) C4'-P energy: -168.103 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -134.091 flat angles P-C4'-P energy: -102.921 tors. eta vs tors. theta energy: -48.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -909.108852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.108852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.108852 (E_RNA) where: Base-Base interactions energy: -392.867 where: short stacking energy: -338.614 Base-Backbone interact. energy: 3.212 local terms energy: -519.453896 where: bonds (distance) C4'-P energy: -155.050 bonds (distance) P-C4' energy: -157.752 flat angles C4'-P-C4' energy: -134.795 flat angles P-C4'-P energy: -62.241 tors. eta vs tors. theta energy: -9.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -802.710894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.710894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.710894 (E_RNA) where: Base-Base interactions energy: -341.456 where: short stacking energy: -300.714 Base-Backbone interact. energy: 0.896 local terms energy: -462.150337 where: bonds (distance) C4'-P energy: -134.091 bonds (distance) P-C4' energy: -157.997 flat angles C4'-P-C4' energy: -125.819 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: 1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -796.766212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.766212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.766212 (E_RNA) where: Base-Base interactions energy: -285.996 where: short stacking energy: -263.030 Base-Backbone interact. energy: 0.628 local terms energy: -511.398229 where: bonds (distance) C4'-P energy: -132.414 bonds (distance) P-C4' energy: -172.752 flat angles C4'-P-C4' energy: -135.758 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: 8.976 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: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2601.867006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.867006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.867006 (E_RNA) where: Base-Base interactions energy: -1636.254 where: short stacking energy: -1003.053 Base-Backbone interact. energy: -5.466 local terms energy: -960.146881 where: bonds (distance) C4'-P energy: -184.671 bonds (distance) P-C4' energy: -181.716 flat angles C4'-P-C4' energy: -204.218 flat angles P-C4'-P energy: -145.444 tors. eta vs tors. theta energy: -244.099 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: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2386.781281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.781281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.781281 (E_RNA) where: Base-Base interactions energy: -1493.764 where: short stacking energy: -931.761 Base-Backbone interact. energy: -2.776 local terms energy: -890.240482 where: bonds (distance) C4'-P energy: -175.386 bonds (distance) P-C4' energy: -170.700 flat angles C4'-P-C4' energy: -192.626 flat angles P-C4'-P energy: -125.658 tors. eta vs tors. theta energy: -225.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2291.247483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.247483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.247483 (E_RNA) where: Base-Base interactions energy: -1397.969 where: short stacking energy: -871.203 Base-Backbone interact. energy: -3.846 local terms energy: -889.432339 where: bonds (distance) C4'-P energy: -157.064 bonds (distance) P-C4' energy: -160.388 flat angles C4'-P-C4' energy: -206.821 flat angles P-C4'-P energy: -130.860 tors. eta vs tors. theta energy: -234.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1979.502683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.502683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.502683 (E_RNA) where: Base-Base interactions energy: -1172.004 where: short stacking energy: -723.515 Base-Backbone interact. energy: 1.334 local terms energy: -808.833423 where: bonds (distance) C4'-P energy: -177.213 bonds (distance) P-C4' energy: -169.113 flat angles C4'-P-C4' energy: -193.272 flat angles P-C4'-P energy: -106.405 tors. eta vs tors. theta energy: -162.831 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: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1459.397949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.397949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.397949 (E_RNA) where: Base-Base interactions energy: -807.060 where: short stacking energy: -581.467 Base-Backbone interact. energy: 6.406 local terms energy: -658.743635 where: bonds (distance) C4'-P energy: -152.949 bonds (distance) P-C4' energy: -163.141 flat angles C4'-P-C4' energy: -173.883 flat angles P-C4'-P energy: -76.170 tors. eta vs tors. theta energy: -92.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1384.818161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.818161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.818161 (E_RNA) where: Base-Base interactions energy: -731.681 where: short stacking energy: -520.489 Base-Backbone interact. energy: 0.929 local terms energy: -654.066676 where: bonds (distance) C4'-P energy: -159.401 bonds (distance) P-C4' energy: -172.224 flat angles C4'-P-C4' energy: -147.777 flat angles P-C4'-P energy: -99.765 tors. eta vs tors. theta energy: -74.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1144.893489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.893489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.893489 (E_RNA) where: Base-Base interactions energy: -544.769 where: short stacking energy: -416.571 Base-Backbone interact. energy: -1.695 local terms energy: -598.429749 where: bonds (distance) C4'-P energy: -153.401 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -141.033 flat angles P-C4'-P energy: -87.943 tors. eta vs tors. theta energy: -54.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -913.934485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.934485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.934485 (E_RNA) where: Base-Base interactions energy: -360.348 where: short stacking energy: -299.571 Base-Backbone interact. energy: -4.673 local terms energy: -548.913196 where: bonds (distance) C4'-P energy: -146.845 bonds (distance) P-C4' energy: -153.063 flat angles C4'-P-C4' energy: -133.470 flat angles P-C4'-P energy: -100.249 tors. eta vs tors. theta energy: -15.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -799.975700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.975700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.975700 (E_RNA) where: Base-Base interactions energy: -304.217 where: short stacking energy: -271.262 Base-Backbone interact. energy: 2.334 local terms energy: -498.092921 where: bonds (distance) C4'-P energy: -138.360 bonds (distance) P-C4' energy: -160.669 flat angles C4'-P-C4' energy: -133.089 flat angles P-C4'-P energy: -79.057 tors. eta vs tors. theta energy: 13.082 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: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -762.254083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.254083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.254083 (E_RNA) where: Base-Base interactions energy: -310.143 where: short stacking energy: -268.253 Base-Backbone interact. energy: -3.587 local terms energy: -448.524728 where: bonds (distance) C4'-P energy: -152.868 bonds (distance) P-C4' energy: -169.875 flat angles C4'-P-C4' energy: -90.691 flat angles P-C4'-P energy: -57.137 tors. eta vs tors. theta energy: 22.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2578.870790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.870790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.870790 (E_RNA) where: Base-Base interactions energy: -1641.466 where: short stacking energy: -963.408 Base-Backbone interact. energy: -2.736 local terms energy: -934.668754 where: bonds (distance) C4'-P energy: -174.477 bonds (distance) P-C4' energy: -180.646 flat angles C4'-P-C4' energy: -201.890 flat angles P-C4'-P energy: -139.267 tors. eta vs tors. theta energy: -238.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2451.237639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.237639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.237639 (E_RNA) where: Base-Base interactions energy: -1537.970 where: short stacking energy: -931.815 Base-Backbone interact. energy: 4.266 local terms energy: -917.533780 where: bonds (distance) C4'-P energy: -170.028 bonds (distance) P-C4' energy: -182.786 flat angles C4'-P-C4' energy: -205.358 flat angles P-C4'-P energy: -128.187 tors. eta vs tors. theta energy: -231.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2314.425556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.425556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.425556 (E_RNA) where: Base-Base interactions energy: -1406.505 where: short stacking energy: -856.077 Base-Backbone interact. energy: -4.024 local terms energy: -903.896546 where: bonds (distance) C4'-P energy: -177.811 bonds (distance) P-C4' energy: -178.799 flat angles C4'-P-C4' energy: -193.039 flat angles P-C4'-P energy: -124.175 tors. eta vs tors. theta energy: -230.073 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: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1980.145978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.145978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.145978 (E_RNA) where: Base-Base interactions energy: -1172.476 where: short stacking energy: -729.634 Base-Backbone interact. energy: -2.859 local terms energy: -804.810493 where: bonds (distance) C4'-P energy: -174.091 bonds (distance) P-C4' energy: -171.691 flat angles C4'-P-C4' energy: -183.595 flat angles P-C4'-P energy: -123.445 tors. eta vs tors. theta energy: -151.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1524.591940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.591940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.591940 (E_RNA) where: Base-Base interactions energy: -827.031 where: short stacking energy: -578.012 Base-Backbone interact. energy: 0.348 local terms energy: -697.908290 where: bonds (distance) C4'-P energy: -158.883 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -177.436 flat angles P-C4'-P energy: -118.962 tors. eta vs tors. theta energy: -102.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1386.327983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.327983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.327983 (E_RNA) where: Base-Base interactions energy: -737.171 where: short stacking energy: -496.498 Base-Backbone interact. energy: -4.463 local terms energy: -644.693720 where: bonds (distance) C4'-P energy: -153.808 bonds (distance) P-C4' energy: -134.815 flat angles C4'-P-C4' energy: -162.916 flat angles P-C4'-P energy: -113.723 tors. eta vs tors. theta energy: -79.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1193.390579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.390579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.390579 (E_RNA) where: Base-Base interactions energy: -600.724 where: short stacking energy: -446.178 Base-Backbone interact. energy: 7.424 local terms energy: -600.090772 where: bonds (distance) C4'-P energy: -141.230 bonds (distance) P-C4' energy: -169.807 flat angles C4'-P-C4' energy: -148.323 flat angles P-C4'-P energy: -90.815 tors. eta vs tors. theta energy: -49.916 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: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -983.545719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.545719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.545719 (E_RNA) where: Base-Base interactions energy: -437.518 where: short stacking energy: -369.306 Base-Backbone interact. energy: 3.521 local terms energy: -549.549366 where: bonds (distance) C4'-P energy: -135.887 bonds (distance) P-C4' energy: -167.556 flat angles C4'-P-C4' energy: -140.159 flat angles P-C4'-P energy: -93.324 tors. eta vs tors. theta energy: -12.623 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: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -845.822824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.822824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.822824 (E_RNA) where: Base-Base interactions energy: -357.073 where: short stacking energy: -312.481 Base-Backbone interact. energy: 7.112 local terms energy: -495.862578 where: bonds (distance) C4'-P energy: -138.837 bonds (distance) P-C4' energy: -158.374 flat angles C4'-P-C4' energy: -112.791 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: -16.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -764.073860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.073860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.073860 (E_RNA) where: Base-Base interactions energy: -325.048 where: short stacking energy: -301.115 Base-Backbone interact. energy: 3.913 local terms energy: -442.939193 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -145.203 flat angles C4'-P-C4' energy: -123.646 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: 12.395 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: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2530.422018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.422018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.422018 (E_RNA) where: Base-Base interactions energy: -1606.365 where: short stacking energy: -945.117 Base-Backbone interact. energy: -2.787 local terms energy: -921.269659 where: bonds (distance) C4'-P energy: -168.932 bonds (distance) P-C4' energy: -169.855 flat angles C4'-P-C4' energy: -201.170 flat angles P-C4'-P energy: -142.761 tors. eta vs tors. theta energy: -238.552 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: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2408.485320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.485320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.485320 (E_RNA) where: Base-Base interactions energy: -1482.543 where: short stacking energy: -896.200 Base-Backbone interact. energy: -3.063 local terms energy: -922.879783 where: bonds (distance) C4'-P energy: -159.198 bonds (distance) P-C4' energy: -174.742 flat angles C4'-P-C4' energy: -210.569 flat angles P-C4'-P energy: -152.685 tors. eta vs tors. theta energy: -225.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2281.789424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.789424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.789424 (E_RNA) where: Base-Base interactions energy: -1393.623 where: short stacking energy: -844.938 Base-Backbone interact. energy: 0.187 local terms energy: -888.353020 where: bonds (distance) C4'-P energy: -168.507 bonds (distance) P-C4' energy: -185.845 flat angles C4'-P-C4' energy: -191.811 flat angles P-C4'-P energy: -130.645 tors. eta vs tors. theta energy: -211.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1857.487089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.487089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.487089 (E_RNA) where: Base-Base interactions energy: -1124.481 where: short stacking energy: -696.151 Base-Backbone interact. energy: 1.461 local terms energy: -734.467163 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -186.364 flat angles C4'-P-C4' energy: -174.367 flat angles P-C4'-P energy: -95.521 tors. eta vs tors. theta energy: -131.643 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: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1450.060294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.060294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.060294 (E_RNA) where: Base-Base interactions energy: -732.600 where: short stacking energy: -537.168 Base-Backbone interact. energy: -4.302 local terms energy: -713.158035 where: bonds (distance) C4'-P energy: -172.551 bonds (distance) P-C4' energy: -171.073 flat angles C4'-P-C4' energy: -177.887 flat angles P-C4'-P energy: -105.153 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: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1396.505619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.505619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.505619 (E_RNA) where: Base-Base interactions energy: -743.581 where: short stacking energy: -487.466 Base-Backbone interact. energy: -1.969 local terms energy: -650.954887 where: bonds (distance) C4'-P energy: -143.435 bonds (distance) P-C4' energy: -181.332 flat angles C4'-P-C4' energy: -153.366 flat angles P-C4'-P energy: -95.078 tors. eta vs tors. theta energy: -77.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1241.139084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.139084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.139084 (E_RNA) where: Base-Base interactions energy: -658.810 where: short stacking energy: -502.208 Base-Backbone interact. energy: -1.507 local terms energy: -580.822155 where: bonds (distance) C4'-P energy: -123.281 bonds (distance) P-C4' energy: -140.474 flat angles C4'-P-C4' energy: -144.538 flat angles P-C4'-P energy: -92.265 tors. eta vs tors. theta energy: -80.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -947.952113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.952113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.952113 (E_RNA) where: Base-Base interactions energy: -415.958 where: short stacking energy: -358.419 Base-Backbone interact. energy: 1.403 local terms energy: -533.397773 where: bonds (distance) C4'-P energy: -147.458 bonds (distance) P-C4' energy: -159.269 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -8.818 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: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -912.749869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.749869 (E_RNA) where: Base-Base interactions energy: -382.823 where: short stacking energy: -331.215 Base-Backbone interact. energy: 1.154 local terms energy: -531.081473 where: bonds (distance) C4'-P energy: -138.465 bonds (distance) P-C4' energy: -148.524 flat angles C4'-P-C4' energy: -153.084 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -9.352 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: 421 Temperature: 1.350000 Total energy: -753.435355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.435355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.435355 (E_RNA) where: Base-Base interactions energy: -328.113 where: short stacking energy: -267.178 Base-Backbone interact. energy: 8.830 local terms energy: -434.152230 where: bonds (distance) C4'-P energy: -137.981 bonds (distance) P-C4' energy: -150.095 flat angles C4'-P-C4' energy: -85.297 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: 15.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2522.755456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.755456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.755456 (E_RNA) where: Base-Base interactions energy: -1582.633 where: short stacking energy: -889.796 Base-Backbone interact. energy: -1.686 local terms energy: -938.436525 where: bonds (distance) C4'-P energy: -173.361 bonds (distance) P-C4' energy: -183.264 flat angles C4'-P-C4' energy: -213.571 flat angles P-C4'-P energy: -144.191 tors. eta vs tors. theta energy: -224.050 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: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2408.156583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.156583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.156583 (E_RNA) where: Base-Base interactions energy: -1481.163 where: short stacking energy: -911.275 Base-Backbone interact. energy: -1.170 local terms energy: -925.823599 where: bonds (distance) C4'-P energy: -181.684 bonds (distance) P-C4' energy: -185.694 flat angles C4'-P-C4' energy: -200.311 flat angles P-C4'-P energy: -118.437 tors. eta vs tors. theta energy: -239.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2199.799639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.799639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.799639 (E_RNA) where: Base-Base interactions energy: -1322.208 where: short stacking energy: -790.908 Base-Backbone interact. energy: -1.359 local terms energy: -876.232350 where: bonds (distance) C4'-P energy: -170.764 bonds (distance) P-C4' energy: -169.471 flat angles C4'-P-C4' energy: -207.681 flat angles P-C4'-P energy: -139.563 tors. eta vs tors. theta energy: -188.753 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: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1942.627033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.627033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.627033 (E_RNA) where: Base-Base interactions energy: -1184.357 where: short stacking energy: -704.388 Base-Backbone interact. energy: 3.969 local terms energy: -762.239535 where: bonds (distance) C4'-P energy: -166.686 bonds (distance) P-C4' energy: -165.482 flat angles C4'-P-C4' energy: -179.294 flat angles P-C4'-P energy: -116.015 tors. eta vs tors. theta energy: -134.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1479.346016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.346016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.346016 (E_RNA) where: Base-Base interactions energy: -810.574 where: short stacking energy: -615.679 Base-Backbone interact. energy: -1.973 local terms energy: -666.798386 where: bonds (distance) C4'-P energy: -141.229 bonds (distance) P-C4' energy: -156.976 flat angles C4'-P-C4' energy: -173.772 flat angles P-C4'-P energy: -93.227 tors. eta vs tors. theta energy: -101.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1392.671660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.671660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.671660 (E_RNA) where: Base-Base interactions energy: -783.085 where: short stacking energy: -529.712 Base-Backbone interact. energy: -1.586 local terms energy: -608.000716 where: bonds (distance) C4'-P energy: -150.854 bonds (distance) P-C4' energy: -166.184 flat angles C4'-P-C4' energy: -154.857 flat angles P-C4'-P energy: -79.400 tors. eta vs tors. theta energy: -56.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1175.514215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.514215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.514215 (E_RNA) where: Base-Base interactions energy: -592.741 where: short stacking energy: -449.173 Base-Backbone interact. energy: 2.685 local terms energy: -585.458776 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -145.354 flat angles P-C4'-P energy: -80.491 tors. eta vs tors. theta energy: -52.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -990.718374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.718374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.718374 (E_RNA) where: Base-Base interactions energy: -414.400 where: short stacking energy: -348.330 Base-Backbone interact. energy: 7.346 local terms energy: -583.664705 where: bonds (distance) C4'-P energy: -157.250 bonds (distance) P-C4' energy: -151.600 flat angles C4'-P-C4' energy: -152.220 flat angles P-C4'-P energy: -100.120 tors. eta vs tors. theta energy: -22.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -814.644096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.644096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.644096 (E_RNA) where: Base-Base interactions energy: -309.355 where: short stacking energy: -273.088 Base-Backbone interact. energy: -0.438 local terms energy: -504.851012 where: bonds (distance) C4'-P energy: -127.093 bonds (distance) P-C4' energy: -148.074 flat angles C4'-P-C4' energy: -147.891 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: 6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -788.110954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.110954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.110954 (E_RNA) where: Base-Base interactions energy: -306.780 where: short stacking energy: -256.777 Base-Backbone interact. energy: 7.311 local terms energy: -488.642729 where: bonds (distance) C4'-P energy: -158.329 bonds (distance) P-C4' energy: -168.333 flat angles C4'-P-C4' energy: -120.728 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: 21.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2491.055632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.055632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.055632 (E_RNA) where: Base-Base interactions energy: -1570.183 where: short stacking energy: -900.785 Base-Backbone interact. energy: -4.230 local terms energy: -916.642424 where: bonds (distance) C4'-P energy: -168.764 bonds (distance) P-C4' energy: -202.497 flat angles C4'-P-C4' energy: -195.076 flat angles P-C4'-P energy: -141.298 tors. eta vs tors. theta energy: -209.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2385.967261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.967261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.967261 (E_RNA) where: Base-Base interactions energy: -1454.362 where: short stacking energy: -917.249 Base-Backbone interact. energy: -2.468 local terms energy: -929.137264 where: bonds (distance) C4'-P energy: -185.677 bonds (distance) P-C4' energy: -168.886 flat angles C4'-P-C4' energy: -206.024 flat angles P-C4'-P energy: -136.180 tors. eta vs tors. theta energy: -232.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2287.857574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.857574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.857574 (E_RNA) where: Base-Base interactions energy: -1428.542 where: short stacking energy: -870.875 Base-Backbone interact. energy: -3.014 local terms energy: -856.301454 where: bonds (distance) C4'-P energy: -167.133 bonds (distance) P-C4' energy: -159.899 flat angles C4'-P-C4' energy: -197.004 flat angles P-C4'-P energy: -107.845 tors. eta vs tors. theta energy: -224.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1925.269143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.269143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.269143 (E_RNA) where: Base-Base interactions energy: -1151.016 where: short stacking energy: -702.336 Base-Backbone interact. energy: 0.814 local terms energy: -775.067170 where: bonds (distance) C4'-P energy: -150.662 bonds (distance) P-C4' energy: -185.092 flat angles C4'-P-C4' energy: -188.840 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -157.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1425.079851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.079851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.079851 (E_RNA) where: Base-Base interactions energy: -742.269 where: short stacking energy: -520.566 Base-Backbone interact. energy: -1.676 local terms energy: -681.134499 where: bonds (distance) C4'-P energy: -165.924 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -166.620 flat angles P-C4'-P energy: -110.426 tors. eta vs tors. theta energy: -77.612 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: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1431.670608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.670608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.670608 (E_RNA) where: Base-Base interactions energy: -798.753 where: short stacking energy: -558.108 Base-Backbone interact. energy: -2.796 local terms energy: -630.121327 where: bonds (distance) C4'-P energy: -149.630 bonds (distance) P-C4' energy: -150.907 flat angles C4'-P-C4' energy: -142.694 flat angles P-C4'-P energy: -106.619 tors. eta vs tors. theta energy: -80.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1170.497359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.497359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.497359 (E_RNA) where: Base-Base interactions energy: -574.106 where: short stacking energy: -445.062 Base-Backbone interact. energy: 2.199 local terms energy: -598.590502 where: bonds (distance) C4'-P energy: -147.346 bonds (distance) P-C4' energy: -164.842 flat angles C4'-P-C4' energy: -146.109 flat angles P-C4'-P energy: -95.576 tors. eta vs tors. theta energy: -44.718 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: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -979.541094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.541094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.541094 (E_RNA) where: Base-Base interactions energy: -441.534 where: short stacking energy: -346.295 Base-Backbone interact. energy: -2.834 local terms energy: -535.173576 where: bonds (distance) C4'-P energy: -162.428 bonds (distance) P-C4' energy: -155.316 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -66.503 tors. eta vs tors. theta energy: -13.259 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: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -876.294709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.294709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.294709 (E_RNA) where: Base-Base interactions energy: -363.479 where: short stacking energy: -300.930 Base-Backbone interact. energy: 5.602 local terms energy: -518.416793 where: bonds (distance) C4'-P energy: -154.276 bonds (distance) P-C4' energy: -162.164 flat angles C4'-P-C4' energy: -116.627 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -6.168 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: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -793.382803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.382803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.382803 (E_RNA) where: Base-Base interactions energy: -289.783 where: short stacking energy: -285.132 Base-Backbone interact. energy: 2.507 local terms energy: -506.106510 where: bonds (distance) C4'-P energy: -120.588 bonds (distance) P-C4' energy: -168.416 flat angles C4'-P-C4' energy: -122.952 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: 1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2521.091076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.091076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.091076 (E_RNA) where: Base-Base interactions energy: -1582.255 where: short stacking energy: -916.153 Base-Backbone interact. energy: -3.279 local terms energy: -935.556800 where: bonds (distance) C4'-P energy: -182.556 bonds (distance) P-C4' energy: -191.942 flat angles C4'-P-C4' energy: -209.291 flat angles P-C4'-P energy: -125.408 tors. eta vs tors. theta energy: -226.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2371.105946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.105946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.105946 (E_RNA) where: Base-Base interactions energy: -1469.897 where: short stacking energy: -879.855 Base-Backbone interact. energy: -2.697 local terms energy: -898.511412 where: bonds (distance) C4'-P energy: -156.893 bonds (distance) P-C4' energy: -187.165 flat angles C4'-P-C4' energy: -207.311 flat angles P-C4'-P energy: -131.844 tors. eta vs tors. theta energy: -215.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2256.825671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.825671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.825671 (E_RNA) where: Base-Base interactions energy: -1364.950 where: short stacking energy: -816.274 Base-Backbone interact. energy: -4.570 local terms energy: -887.305207 where: bonds (distance) C4'-P energy: -172.003 bonds (distance) P-C4' energy: -187.758 flat angles C4'-P-C4' energy: -202.718 flat angles P-C4'-P energy: -129.922 tors. eta vs tors. theta energy: -194.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1887.161080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.161080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.161080 (E_RNA) where: Base-Base interactions energy: -1138.862 where: short stacking energy: -668.120 Base-Backbone interact. energy: -1.196 local terms energy: -747.103186 where: bonds (distance) C4'-P energy: -171.760 bonds (distance) P-C4' energy: -172.101 flat angles C4'-P-C4' energy: -171.388 flat angles P-C4'-P energy: -96.625 tors. eta vs tors. theta energy: -135.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1479.032193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.032193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.032193 (E_RNA) where: Base-Base interactions energy: -800.151 where: short stacking energy: -540.016 Base-Backbone interact. energy: 1.279 local terms energy: -680.159459 where: bonds (distance) C4'-P energy: -159.848 bonds (distance) P-C4' energy: -161.244 flat angles C4'-P-C4' energy: -172.853 flat angles P-C4'-P energy: -99.880 tors. eta vs tors. theta energy: -86.333 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: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1378.161109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.161109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.161109 (E_RNA) where: Base-Base interactions energy: -748.947 where: short stacking energy: -502.090 Base-Backbone interact. energy: -1.469 local terms energy: -627.745263 where: bonds (distance) C4'-P energy: -156.872 bonds (distance) P-C4' energy: -152.949 flat angles C4'-P-C4' energy: -154.994 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -73.321 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: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1117.452426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.452426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.452426 (E_RNA) where: Base-Base interactions energy: -514.082 where: short stacking energy: -394.413 Base-Backbone interact. energy: 3.686 local terms energy: -607.057387 where: bonds (distance) C4'-P energy: -150.020 bonds (distance) P-C4' energy: -183.520 flat angles C4'-P-C4' energy: -146.368 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -39.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -931.520426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.520426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.520426 (E_RNA) where: Base-Base interactions energy: -383.091 where: short stacking energy: -330.529 Base-Backbone interact. energy: 3.323 local terms energy: -551.753385 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -158.608 flat angles C4'-P-C4' energy: -148.822 flat angles P-C4'-P energy: -94.840 tors. eta vs tors. theta energy: -18.650 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: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -816.611893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.611893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.611893 (E_RNA) where: Base-Base interactions energy: -305.030 where: short stacking energy: -290.382 Base-Backbone interact. energy: 1.306 local terms energy: -512.888162 where: bonds (distance) C4'-P energy: -138.768 bonds (distance) P-C4' energy: -166.820 flat angles C4'-P-C4' energy: -139.319 flat angles P-C4'-P energy: -62.528 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -783.761554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.761554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.761554 (E_RNA) where: Base-Base interactions energy: -306.584 where: short stacking energy: -288.011 Base-Backbone interact. energy: 5.453 local terms energy: -482.631089 where: bonds (distance) C4'-P energy: -139.165 bonds (distance) P-C4' energy: -150.200 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: 12.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2520.030183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.030183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.030183 (E_RNA) where: Base-Base interactions energy: -1622.578 where: short stacking energy: -909.080 Base-Backbone interact. energy: 0.081 local terms energy: -897.532666 where: bonds (distance) C4'-P energy: -177.218 bonds (distance) P-C4' energy: -186.570 flat angles C4'-P-C4' energy: -189.140 flat angles P-C4'-P energy: -122.479 tors. eta vs tors. theta energy: -222.125 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: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2390.413138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.413138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.413138 (E_RNA) where: Base-Base interactions energy: -1502.662 where: short stacking energy: -942.565 Base-Backbone interact. energy: -5.235 local terms energy: -882.515587 where: bonds (distance) C4'-P energy: -168.479 bonds (distance) P-C4' energy: -179.881 flat angles C4'-P-C4' energy: -196.625 flat angles P-C4'-P energy: -104.380 tors. eta vs tors. theta energy: -233.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2242.363465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.363465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.363465 (E_RNA) where: Base-Base interactions energy: -1398.364 where: short stacking energy: -804.397 Base-Backbone interact. energy: -4.075 local terms energy: -839.925187 where: bonds (distance) C4'-P energy: -159.566 bonds (distance) P-C4' energy: -175.838 flat angles C4'-P-C4' energy: -197.438 flat angles P-C4'-P energy: -116.737 tors. eta vs tors. theta energy: -190.346 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: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1880.973172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.973172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.973172 (E_RNA) where: Base-Base interactions energy: -1125.949 where: short stacking energy: -683.420 Base-Backbone interact. energy: 2.474 local terms energy: -757.498572 where: bonds (distance) C4'-P energy: -167.528 bonds (distance) P-C4' energy: -179.164 flat angles C4'-P-C4' energy: -179.717 flat angles P-C4'-P energy: -108.554 tors. eta vs tors. theta energy: -122.536 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: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1520.638636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.638636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.638636 (E_RNA) where: Base-Base interactions energy: -837.467 where: short stacking energy: -539.330 Base-Backbone interact. energy: -6.840 local terms energy: -676.331082 where: bonds (distance) C4'-P energy: -156.032 bonds (distance) P-C4' energy: -140.344 flat angles C4'-P-C4' energy: -184.548 flat angles P-C4'-P energy: -109.443 tors. eta vs tors. theta energy: -85.964 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: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1383.289954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.289954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.289954 (E_RNA) where: Base-Base interactions energy: -754.452 where: short stacking energy: -530.351 Base-Backbone interact. energy: -2.306 local terms energy: -626.531967 where: bonds (distance) C4'-P energy: -121.353 bonds (distance) P-C4' energy: -161.735 flat angles C4'-P-C4' energy: -161.617 flat angles P-C4'-P energy: -106.179 tors. eta vs tors. theta energy: -75.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1137.300427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.300427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.300427 (E_RNA) where: Base-Base interactions energy: -552.446 where: short stacking energy: -411.286 Base-Backbone interact. energy: -1.095 local terms energy: -583.759796 where: bonds (distance) C4'-P energy: -149.735 bonds (distance) P-C4' energy: -156.508 flat angles C4'-P-C4' energy: -152.646 flat angles P-C4'-P energy: -82.163 tors. eta vs tors. theta energy: -42.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -996.604280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.604280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.604280 (E_RNA) where: Base-Base interactions energy: -422.165 where: short stacking energy: -359.697 Base-Backbone interact. energy: 3.642 local terms energy: -578.081163 where: bonds (distance) C4'-P energy: -157.717 bonds (distance) P-C4' energy: -159.201 flat angles C4'-P-C4' energy: -129.956 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -38.441 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: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -799.200299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.200299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.200299 (E_RNA) where: Base-Base interactions energy: -321.857 where: short stacking energy: -303.020 Base-Backbone interact. energy: -0.843 local terms energy: -476.500243 where: bonds (distance) C4'-P energy: -131.188 bonds (distance) P-C4' energy: -155.517 flat angles C4'-P-C4' energy: -113.897 flat angles P-C4'-P energy: -80.779 tors. eta vs tors. theta energy: 4.881 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -815.913666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.913666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.913666 (E_RNA) where: Base-Base interactions energy: -347.710 where: short stacking energy: -289.917 Base-Backbone interact. energy: 6.977 local terms energy: -475.180899 where: bonds (distance) C4'-P energy: -134.242 bonds (distance) P-C4' energy: -140.081 flat angles C4'-P-C4' energy: -137.279 flat angles P-C4'-P energy: -62.584 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2571.938152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.938152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.938152 (E_RNA) where: Base-Base interactions energy: -1622.222 where: short stacking energy: -942.509 Base-Backbone interact. energy: -3.458 local terms energy: -946.258692 where: bonds (distance) C4'-P energy: -173.915 bonds (distance) P-C4' energy: -189.425 flat angles C4'-P-C4' energy: -210.394 flat angles P-C4'-P energy: -139.776 tors. eta vs tors. theta energy: -232.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2404.049637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.049637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.049637 (E_RNA) where: Base-Base interactions energy: -1494.516 where: short stacking energy: -923.607 Base-Backbone interact. energy: -1.744 local terms energy: -907.790329 where: bonds (distance) C4'-P energy: -166.480 bonds (distance) P-C4' energy: -189.033 flat angles C4'-P-C4' energy: -193.263 flat angles P-C4'-P energy: -139.487 tors. eta vs tors. theta energy: -219.527 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: 426 Temperature: 1.000000 Total energy: -2295.601172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.601172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.601172 (E_RNA) where: Base-Base interactions energy: -1443.695 where: short stacking energy: -856.063 Base-Backbone interact. energy: -0.986 local terms energy: -850.920015 where: bonds (distance) C4'-P energy: -165.031 bonds (distance) P-C4' energy: -162.037 flat angles C4'-P-C4' energy: -191.497 flat angles P-C4'-P energy: -137.353 tors. eta vs tors. theta energy: -195.003 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: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1889.582705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.582705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.582705 (E_RNA) where: Base-Base interactions energy: -1121.594 where: short stacking energy: -698.502 Base-Backbone interact. energy: -4.012 local terms energy: -763.976288 where: bonds (distance) C4'-P energy: -171.301 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -177.995 flat angles P-C4'-P energy: -122.740 tors. eta vs tors. theta energy: -134.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1671.739127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.739127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.739127 (E_RNA) where: Base-Base interactions energy: -926.730 where: short stacking energy: -634.216 Base-Backbone interact. energy: -4.777 local terms energy: -740.232404 where: bonds (distance) C4'-P energy: -179.161 bonds (distance) P-C4' energy: -152.633 flat angles C4'-P-C4' energy: -174.198 flat angles P-C4'-P energy: -108.698 tors. eta vs tors. theta energy: -125.543 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: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1444.550644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.550644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.550644 (E_RNA) where: Base-Base interactions energy: -765.453 where: short stacking energy: -546.690 Base-Backbone interact. energy: -2.029 local terms energy: -677.068955 where: bonds (distance) C4'-P energy: -169.744 bonds (distance) P-C4' energy: -181.485 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -97.051 tors. eta vs tors. theta energy: -89.821 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: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1057.600556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.600556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.600556 (E_RNA) where: Base-Base interactions energy: -484.143 where: short stacking energy: -408.363 Base-Backbone interact. energy: 0.571 local terms energy: -574.029434 where: bonds (distance) C4'-P energy: -157.610 bonds (distance) P-C4' energy: -162.834 flat angles C4'-P-C4' energy: -150.484 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -38.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -882.257565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.257565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.257565 (E_RNA) where: Base-Base interactions energy: -373.212 where: short stacking energy: -327.114 Base-Backbone interact. energy: 2.183 local terms energy: -511.228362 where: bonds (distance) C4'-P energy: -147.419 bonds (distance) P-C4' energy: -136.726 flat angles C4'-P-C4' energy: -130.538 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -19.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -823.844562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.844562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.844562 (E_RNA) where: Base-Base interactions energy: -340.330 where: short stacking energy: -295.198 Base-Backbone interact. energy: 7.266 local terms energy: -490.781516 where: bonds (distance) C4'-P energy: -134.549 bonds (distance) P-C4' energy: -150.494 flat angles C4'-P-C4' energy: -130.259 flat angles P-C4'-P energy: -77.912 tors. eta vs tors. theta energy: 2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -735.310985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.310985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.310985 (E_RNA) where: Base-Base interactions energy: -234.479 where: short stacking energy: -211.553 Base-Backbone interact. energy: -0.734 local terms energy: -500.097152 where: bonds (distance) C4'-P energy: -152.532 bonds (distance) P-C4' energy: -146.281 flat angles C4'-P-C4' energy: -158.753 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: 42.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2537.920736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.920736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.920736 (E_RNA) where: Base-Base interactions energy: -1576.666 where: short stacking energy: -944.731 Base-Backbone interact. energy: -6.429 local terms energy: -954.825877 where: bonds (distance) C4'-P energy: -189.232 bonds (distance) P-C4' energy: -185.971 flat angles C4'-P-C4' energy: -205.852 flat angles P-C4'-P energy: -130.932 tors. eta vs tors. theta energy: -242.839 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: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2357.777944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.777944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.777944 (E_RNA) where: Base-Base interactions energy: -1451.408 where: short stacking energy: -910.101 Base-Backbone interact. energy: -3.254 local terms energy: -903.115970 where: bonds (distance) C4'-P energy: -173.310 bonds (distance) P-C4' energy: -180.608 flat angles C4'-P-C4' energy: -192.031 flat angles P-C4'-P energy: -127.481 tors. eta vs tors. theta energy: -229.687 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: 427 Temperature: 1.000000 Total energy: -2268.369551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.369551 (E_RNA) where: Base-Base interactions energy: -1420.549 where: short stacking energy: -867.445 Base-Backbone interact. energy: -0.533 local terms energy: -847.287742 where: bonds (distance) C4'-P energy: -163.467 bonds (distance) P-C4' energy: -162.397 flat angles C4'-P-C4' energy: -196.582 flat angles P-C4'-P energy: -112.364 tors. eta vs tors. theta energy: -212.477 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: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1940.278463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.278463 (E_RNA) where: Base-Base interactions energy: -1156.153 where: short stacking energy: -709.671 Base-Backbone interact. energy: -1.131 local terms energy: -782.994218 where: bonds (distance) C4'-P energy: -161.694 bonds (distance) P-C4' energy: -173.734 flat angles C4'-P-C4' energy: -194.493 flat angles P-C4'-P energy: -105.672 tors. eta vs tors. theta energy: -147.401 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: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1597.962794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.962794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.962794 (E_RNA) where: Base-Base interactions energy: -889.239 where: short stacking energy: -587.086 Base-Backbone interact. energy: -1.306 local terms energy: -707.418420 where: bonds (distance) C4'-P energy: -161.045 bonds (distance) P-C4' energy: -183.541 flat angles C4'-P-C4' energy: -153.035 flat angles P-C4'-P energy: -116.423 tors. eta vs tors. theta energy: -93.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1365.934463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.934463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.934463 (E_RNA) where: Base-Base interactions energy: -728.318 where: short stacking energy: -497.977 Base-Backbone interact. energy: -5.056 local terms energy: -632.560697 where: bonds (distance) C4'-P energy: -146.551 bonds (distance) P-C4' energy: -155.225 flat angles C4'-P-C4' energy: -168.587 flat angles P-C4'-P energy: -96.836 tors. eta vs tors. theta energy: -65.361 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: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1046.504017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.504017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.504017 (E_RNA) where: Base-Base interactions energy: -476.046 where: short stacking energy: -345.588 Base-Backbone interact. energy: -0.128 local terms energy: -570.329490 where: bonds (distance) C4'-P energy: -129.054 bonds (distance) P-C4' energy: -166.239 flat angles C4'-P-C4' energy: -147.763 flat angles P-C4'-P energy: -102.804 tors. eta vs tors. theta energy: -24.468 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: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -970.136187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.136187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.136187 (E_RNA) where: Base-Base interactions energy: -402.546 where: short stacking energy: -356.527 Base-Backbone interact. energy: -1.330 local terms energy: -566.260971 where: bonds (distance) C4'-P energy: -146.041 bonds (distance) P-C4' energy: -175.530 flat angles C4'-P-C4' energy: -127.356 flat angles P-C4'-P energy: -87.194 tors. eta vs tors. theta energy: -30.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -829.785022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.785022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.785022 (E_RNA) where: Base-Base interactions energy: -353.296 where: short stacking energy: -301.509 Base-Backbone interact. energy: -1.506 local terms energy: -474.983891 where: bonds (distance) C4'-P energy: -129.609 bonds (distance) P-C4' energy: -147.242 flat angles C4'-P-C4' energy: -132.207 flat angles P-C4'-P energy: -63.611 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -735.230989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.230989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.230989 (E_RNA) where: Base-Base interactions energy: -291.492 where: short stacking energy: -247.145 Base-Backbone interact. energy: -2.963 local terms energy: -440.775422 where: bonds (distance) C4'-P energy: -127.884 bonds (distance) P-C4' energy: -134.401 flat angles C4'-P-C4' energy: -119.678 flat angles P-C4'-P energy: -86.570 tors. eta vs tors. theta energy: 27.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2567.711689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.711689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.711689 (E_RNA) where: Base-Base interactions energy: -1617.698 where: short stacking energy: -954.689 Base-Backbone interact. energy: -6.277 local terms energy: -943.737016 where: bonds (distance) C4'-P energy: -180.678 bonds (distance) P-C4' energy: -166.780 flat angles C4'-P-C4' energy: -211.308 flat angles P-C4'-P energy: -137.468 tors. eta vs tors. theta energy: -247.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2336.795829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.795829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.795829 (E_RNA) where: Base-Base interactions energy: -1430.745 where: short stacking energy: -910.582 Base-Backbone interact. energy: -1.867 local terms energy: -904.183259 where: bonds (distance) C4'-P energy: -158.203 bonds (distance) P-C4' energy: -184.100 flat angles C4'-P-C4' energy: -204.587 flat angles P-C4'-P energy: -136.735 tors. eta vs tors. theta energy: -220.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2222.573741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.573741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.573741 (E_RNA) where: Base-Base interactions energy: -1383.988 where: short stacking energy: -852.792 Base-Backbone interact. energy: 1.250 local terms energy: -839.836477 where: bonds (distance) C4'-P energy: -167.175 bonds (distance) P-C4' energy: -169.264 flat angles C4'-P-C4' energy: -195.850 flat angles P-C4'-P energy: -112.681 tors. eta vs tors. theta energy: -194.867 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: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1951.722549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.722549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.722549 (E_RNA) where: Base-Base interactions energy: -1140.117 where: short stacking energy: -704.645 Base-Backbone interact. energy: -1.256 local terms energy: -810.349158 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -182.009 flat angles C4'-P-C4' energy: -191.050 flat angles P-C4'-P energy: -113.669 tors. eta vs tors. theta energy: -165.928 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: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1588.657763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.657763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.657763 (E_RNA) where: Base-Base interactions energy: -922.839 where: short stacking energy: -573.249 Base-Backbone interact. energy: -0.522 local terms energy: -665.296156 where: bonds (distance) C4'-P energy: -152.456 bonds (distance) P-C4' energy: -163.333 flat angles C4'-P-C4' energy: -172.588 flat angles P-C4'-P energy: -88.214 tors. eta vs tors. theta energy: -88.705 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: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1363.325744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.325744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.325744 (E_RNA) where: Base-Base interactions energy: -765.887 where: short stacking energy: -549.885 Base-Backbone interact. energy: -1.363 local terms energy: -596.075855 where: bonds (distance) C4'-P energy: -128.870 bonds (distance) P-C4' energy: -142.391 flat angles C4'-P-C4' energy: -148.529 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -95.971 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: 7, replica: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1151.474836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.474836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.474836 (E_RNA) where: Base-Base interactions energy: -554.279 where: short stacking energy: -429.729 Base-Backbone interact. energy: -2.119 local terms energy: -595.077006 where: bonds (distance) C4'-P energy: -146.330 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -134.690 flat angles P-C4'-P energy: -110.525 tors. eta vs tors. theta energy: -43.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -995.163007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.163007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.163007 (E_RNA) where: Base-Base interactions energy: -471.482 where: short stacking energy: -384.150 Base-Backbone interact. energy: 3.041 local terms energy: -526.721973 where: bonds (distance) C4'-P energy: -133.850 bonds (distance) P-C4' energy: -154.357 flat angles C4'-P-C4' energy: -151.655 flat angles P-C4'-P energy: -59.682 tors. eta vs tors. theta energy: -27.178 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: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -804.473402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.473402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.473402 (E_RNA) where: Base-Base interactions energy: -340.003 where: short stacking energy: -309.706 Base-Backbone interact. energy: -1.830 local terms energy: -462.639708 where: bonds (distance) C4'-P energy: -118.257 bonds (distance) P-C4' energy: -170.652 flat angles C4'-P-C4' energy: -126.574 flat angles P-C4'-P energy: -53.296 tors. eta vs tors. theta energy: 6.140 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: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -780.904290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.904290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.904290 (E_RNA) where: Base-Base interactions energy: -309.900 where: short stacking energy: -279.970 Base-Backbone interact. energy: -1.709 local terms energy: -469.295560 where: bonds (distance) C4'-P energy: -163.783 bonds (distance) P-C4' energy: -151.269 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -62.262 tors. eta vs tors. theta energy: 2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2536.625667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.625667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.625667 (E_RNA) where: Base-Base interactions energy: -1585.548 where: short stacking energy: -947.521 Base-Backbone interact. energy: -5.908 local terms energy: -945.169638 where: bonds (distance) C4'-P energy: -166.175 bonds (distance) P-C4' energy: -180.450 flat angles C4'-P-C4' energy: -220.525 flat angles P-C4'-P energy: -136.472 tors. eta vs tors. theta energy: -241.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2389.058344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.058344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.058344 (E_RNA) where: Base-Base interactions energy: -1488.398 where: short stacking energy: -852.276 Base-Backbone interact. energy: -5.220 local terms energy: -895.439857 where: bonds (distance) C4'-P energy: -171.142 bonds (distance) P-C4' energy: -176.193 flat angles C4'-P-C4' energy: -216.773 flat angles P-C4'-P energy: -137.350 tors. eta vs tors. theta energy: -193.982 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: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2236.819025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.819025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.819025 (E_RNA) where: Base-Base interactions energy: -1354.663 where: short stacking energy: -858.047 Base-Backbone interact. energy: -1.194 local terms energy: -880.962404 where: bonds (distance) C4'-P energy: -174.519 bonds (distance) P-C4' energy: -171.109 flat angles C4'-P-C4' energy: -185.518 flat angles P-C4'-P energy: -128.335 tors. eta vs tors. theta energy: -221.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1900.082124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.082124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.082124 (E_RNA) where: Base-Base interactions energy: -1108.808 where: short stacking energy: -663.888 Base-Backbone interact. energy: -5.270 local terms energy: -786.003709 where: bonds (distance) C4'-P energy: -167.364 bonds (distance) P-C4' energy: -196.193 flat angles C4'-P-C4' energy: -177.492 flat angles P-C4'-P energy: -106.334 tors. eta vs tors. theta energy: -138.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1626.264110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.264110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.264110 (E_RNA) where: Base-Base interactions energy: -942.925 where: short stacking energy: -616.344 Base-Backbone interact. energy: 6.178 local terms energy: -689.517437 where: bonds (distance) C4'-P energy: -147.071 bonds (distance) P-C4' energy: -163.240 flat angles C4'-P-C4' energy: -188.104 flat angles P-C4'-P energy: -96.371 tors. eta vs tors. theta energy: -94.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1396.853142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.853142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.853142 (E_RNA) where: Base-Base interactions energy: -733.548 where: short stacking energy: -540.044 Base-Backbone interact. energy: -3.545 local terms energy: -659.760438 where: bonds (distance) C4'-P energy: -159.795 bonds (distance) P-C4' energy: -165.642 flat angles C4'-P-C4' energy: -146.033 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -99.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1052.773981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.773981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.773981 (E_RNA) where: Base-Base interactions energy: -488.065 where: short stacking energy: -382.545 Base-Backbone interact. energy: 0.772 local terms energy: -565.481394 where: bonds (distance) C4'-P energy: -157.737 bonds (distance) P-C4' energy: -165.288 flat angles C4'-P-C4' energy: -133.837 flat angles P-C4'-P energy: -90.445 tors. eta vs tors. theta energy: -18.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -993.106127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.106127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.106127 (E_RNA) where: Base-Base interactions energy: -461.695 where: short stacking energy: -400.345 Base-Backbone interact. energy: 3.777 local terms energy: -535.188045 where: bonds (distance) C4'-P energy: -152.004 bonds (distance) P-C4' energy: -145.430 flat angles C4'-P-C4' energy: -123.792 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: -38.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -852.734860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.734860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.734860 (E_RNA) where: Base-Base interactions energy: -372.232 where: short stacking energy: -347.203 Base-Backbone interact. energy: -1.872 local terms energy: -478.631429 where: bonds (distance) C4'-P energy: -112.876 bonds (distance) P-C4' energy: -127.230 flat angles C4'-P-C4' energy: -129.769 flat angles P-C4'-P energy: -94.444 tors. eta vs tors. theta energy: -14.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -763.205128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.205128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.205128 (E_RNA) where: Base-Base interactions energy: -315.615 where: short stacking energy: -287.075 Base-Backbone interact. energy: 3.957 local terms energy: -451.547232 where: bonds (distance) C4'-P energy: -135.729 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -134.222 flat angles P-C4'-P energy: -66.454 tors. eta vs tors. theta energy: 10.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2521.421835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.421835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.421835 (E_RNA) where: Base-Base interactions energy: -1553.735 where: short stacking energy: -948.711 Base-Backbone interact. energy: -9.129 local terms energy: -958.557717 where: bonds (distance) C4'-P energy: -183.577 bonds (distance) P-C4' energy: -189.484 flat angles C4'-P-C4' energy: -209.209 flat angles P-C4'-P energy: -138.059 tors. eta vs tors. theta energy: -238.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2379.854157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.854157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.854157 (E_RNA) where: Base-Base interactions energy: -1464.626 where: short stacking energy: -894.356 Base-Backbone interact. energy: -3.629 local terms energy: -911.599422 where: bonds (distance) C4'-P energy: -162.888 bonds (distance) P-C4' energy: -171.774 flat angles C4'-P-C4' energy: -214.078 flat angles P-C4'-P energy: -142.173 tors. eta vs tors. theta energy: -220.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2249.437598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.437598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.437598 (E_RNA) where: Base-Base interactions energy: -1370.750 where: short stacking energy: -868.946 Base-Backbone interact. energy: -2.629 local terms energy: -876.058641 where: bonds (distance) C4'-P energy: -164.748 bonds (distance) P-C4' energy: -174.313 flat angles C4'-P-C4' energy: -195.831 flat angles P-C4'-P energy: -126.679 tors. eta vs tors. theta energy: -214.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1889.211552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.211552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.211552 (E_RNA) where: Base-Base interactions energy: -1144.984 where: short stacking energy: -662.621 Base-Backbone interact. energy: -3.782 local terms energy: -740.444957 where: bonds (distance) C4'-P energy: -167.499 bonds (distance) P-C4' energy: -149.311 flat angles C4'-P-C4' energy: -179.706 flat angles P-C4'-P energy: -113.550 tors. eta vs tors. theta energy: -130.380 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: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1639.099258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.099258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.099258 (E_RNA) where: Base-Base interactions energy: -917.321 where: short stacking energy: -584.116 Base-Backbone interact. energy: 0.660 local terms energy: -722.438393 where: bonds (distance) C4'-P energy: -140.012 bonds (distance) P-C4' energy: -179.472 flat angles C4'-P-C4' energy: -172.426 flat angles P-C4'-P energy: -112.342 tors. eta vs tors. theta energy: -118.187 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: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1412.932006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.932006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.932006 (E_RNA) where: Base-Base interactions energy: -792.551 where: short stacking energy: -585.865 Base-Backbone interact. energy: 2.360 local terms energy: -622.740993 where: bonds (distance) C4'-P energy: -157.433 bonds (distance) P-C4' energy: -148.130 flat angles C4'-P-C4' energy: -143.256 flat angles P-C4'-P energy: -86.895 tors. eta vs tors. theta energy: -87.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1077.659060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.659060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.659060 (E_RNA) where: Base-Base interactions energy: -489.271 where: short stacking energy: -384.822 Base-Backbone interact. energy: -2.497 local terms energy: -585.891256 where: bonds (distance) C4'-P energy: -155.214 bonds (distance) P-C4' energy: -159.688 flat angles C4'-P-C4' energy: -154.458 flat angles P-C4'-P energy: -63.003 tors. eta vs tors. theta energy: -53.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -949.806421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.806421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.806421 (E_RNA) where: Base-Base interactions energy: -434.986 where: short stacking energy: -364.970 Base-Backbone interact. energy: 0.628 local terms energy: -515.447981 where: bonds (distance) C4'-P energy: -128.932 bonds (distance) P-C4' energy: -149.911 flat angles C4'-P-C4' energy: -150.087 flat angles P-C4'-P energy: -90.062 tors. eta vs tors. theta energy: 3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -910.897758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.897758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.897758 (E_RNA) where: Base-Base interactions energy: -404.285 where: short stacking energy: -295.512 Base-Backbone interact. energy: 0.600 local terms energy: -507.212505 where: bonds (distance) C4'-P energy: -160.058 bonds (distance) P-C4' energy: -170.602 flat angles C4'-P-C4' energy: -110.465 flat angles P-C4'-P energy: -59.655 tors. eta vs tors. theta energy: -6.432 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: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -798.171799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.171799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.171799 (E_RNA) where: Base-Base interactions energy: -318.402 where: short stacking energy: -299.726 Base-Backbone interact. energy: -3.150 local terms energy: -476.619828 where: bonds (distance) C4'-P energy: -118.727 bonds (distance) P-C4' energy: -149.291 flat angles C4'-P-C4' energy: -138.103 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: 4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2484.496100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.496100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.496100 (E_RNA) where: Base-Base interactions energy: -1548.177 where: short stacking energy: -925.998 Base-Backbone interact. energy: -7.827 local terms energy: -928.492314 where: bonds (distance) C4'-P energy: -169.602 bonds (distance) P-C4' energy: -187.801 flat angles C4'-P-C4' energy: -197.011 flat angles P-C4'-P energy: -129.035 tors. eta vs tors. theta energy: -245.043 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: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2342.837420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.837420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.837420 (E_RNA) where: Base-Base interactions energy: -1460.084 where: short stacking energy: -901.323 Base-Backbone interact. energy: 1.769 local terms energy: -884.522921 where: bonds (distance) C4'-P energy: -170.862 bonds (distance) P-C4' energy: -172.626 flat angles C4'-P-C4' energy: -201.863 flat angles P-C4'-P energy: -125.444 tors. eta vs tors. theta energy: -213.728 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: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2232.049732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.049732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.049732 (E_RNA) where: Base-Base interactions energy: -1372.954 where: short stacking energy: -845.491 Base-Backbone interact. energy: -3.113 local terms energy: -855.983206 where: bonds (distance) C4'-P energy: -157.123 bonds (distance) P-C4' energy: -168.345 flat angles C4'-P-C4' energy: -202.925 flat angles P-C4'-P energy: -125.955 tors. eta vs tors. theta energy: -201.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1852.062183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.062183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.062183 (E_RNA) where: Base-Base interactions energy: -1120.296 where: short stacking energy: -678.642 Base-Backbone interact. energy: -1.002 local terms energy: -730.763872 where: bonds (distance) C4'-P energy: -141.864 bonds (distance) P-C4' energy: -174.830 flat angles C4'-P-C4' energy: -184.299 flat angles P-C4'-P energy: -99.384 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: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1627.106205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.106205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.106205 (E_RNA) where: Base-Base interactions energy: -921.291 where: short stacking energy: -583.824 Base-Backbone interact. energy: 1.876 local terms energy: -707.691476 where: bonds (distance) C4'-P energy: -158.527 bonds (distance) P-C4' energy: -161.821 flat angles C4'-P-C4' energy: -166.744 flat angles P-C4'-P energy: -122.068 tors. eta vs tors. theta energy: -98.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1367.065255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.065255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.065255 (E_RNA) where: Base-Base interactions energy: -707.815 where: short stacking energy: -518.906 Base-Backbone interact. energy: -4.136 local terms energy: -655.114406 where: bonds (distance) C4'-P energy: -144.736 bonds (distance) P-C4' energy: -173.045 flat angles C4'-P-C4' energy: -160.361 flat angles P-C4'-P energy: -79.125 tors. eta vs tors. theta energy: -97.847 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: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -981.336962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.336962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.336962 (E_RNA) where: Base-Base interactions energy: -436.634 where: short stacking energy: -383.794 Base-Backbone interact. energy: 1.971 local terms energy: -546.673877 where: bonds (distance) C4'-P energy: -168.398 bonds (distance) P-C4' energy: -160.892 flat angles C4'-P-C4' energy: -127.692 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: -17.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -966.681333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.681333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.681333 (E_RNA) where: Base-Base interactions energy: -432.305 where: short stacking energy: -338.343 Base-Backbone interact. energy: -0.665 local terms energy: -533.710854 where: bonds (distance) C4'-P energy: -135.118 bonds (distance) P-C4' energy: -157.387 flat angles C4'-P-C4' energy: -151.669 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -22.801 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: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -851.202532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.202532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.202532 (E_RNA) where: Base-Base interactions energy: -381.075 where: short stacking energy: -345.690 Base-Backbone interact. energy: -2.708 local terms energy: -467.419275 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -133.605 flat angles P-C4'-P energy: -70.381 tors. eta vs tors. theta energy: -14.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -769.437547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.437547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.437547 (E_RNA) where: Base-Base interactions energy: -296.012 where: short stacking energy: -273.933 Base-Backbone interact. energy: 2.083 local terms energy: -475.509318 where: bonds (distance) C4'-P energy: -119.846 bonds (distance) P-C4' energy: -164.436 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -71.912 tors. eta vs tors. theta energy: 9.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2514.065938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.065938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.065938 (E_RNA) where: Base-Base interactions energy: -1561.141 where: short stacking energy: -936.527 Base-Backbone interact. energy: -2.991 local terms energy: -949.934112 where: bonds (distance) C4'-P energy: -181.495 bonds (distance) P-C4' energy: -202.218 flat angles C4'-P-C4' energy: -206.662 flat angles P-C4'-P energy: -122.721 tors. eta vs tors. theta energy: -236.838 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: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2400.277401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.277401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.277401 (E_RNA) where: Base-Base interactions energy: -1481.508 where: short stacking energy: -887.498 Base-Backbone interact. energy: -3.354 local terms energy: -915.416192 where: bonds (distance) C4'-P energy: -174.927 bonds (distance) P-C4' energy: -194.352 flat angles C4'-P-C4' energy: -190.305 flat angles P-C4'-P energy: -127.911 tors. eta vs tors. theta energy: -227.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2230.712061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.712061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.712061 (E_RNA) where: Base-Base interactions energy: -1353.390 where: short stacking energy: -840.027 Base-Backbone interact. energy: 1.034 local terms energy: -878.356137 where: bonds (distance) C4'-P energy: -155.639 bonds (distance) P-C4' energy: -177.492 flat angles C4'-P-C4' energy: -204.931 flat angles P-C4'-P energy: -122.930 tors. eta vs tors. theta energy: -217.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1944.795007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.795007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.795007 (E_RNA) where: Base-Base interactions energy: -1189.864 where: short stacking energy: -729.848 Base-Backbone interact. energy: -4.034 local terms energy: -750.896855 where: bonds (distance) C4'-P energy: -156.516 bonds (distance) P-C4' energy: -175.795 flat angles C4'-P-C4' energy: -167.837 flat angles P-C4'-P energy: -101.438 tors. eta vs tors. theta energy: -149.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1624.218831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.218831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.218831 (E_RNA) where: Base-Base interactions energy: -901.356 where: short stacking energy: -597.012 Base-Backbone interact. energy: -0.811 local terms energy: -722.051398 where: bonds (distance) C4'-P energy: -153.039 bonds (distance) P-C4' energy: -168.550 flat angles C4'-P-C4' energy: -168.472 flat angles P-C4'-P energy: -125.156 tors. eta vs tors. theta energy: -106.835 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: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1355.391979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.391979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.391979 (E_RNA) where: Base-Base interactions energy: -720.819 where: short stacking energy: -516.528 Base-Backbone interact. energy: -2.345 local terms energy: -632.228587 where: bonds (distance) C4'-P energy: -160.098 bonds (distance) P-C4' energy: -159.764 flat angles C4'-P-C4' energy: -147.975 flat angles P-C4'-P energy: -92.530 tors. eta vs tors. theta energy: -71.863 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: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1073.748186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.748186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.748186 (E_RNA) where: Base-Base interactions energy: -505.252 where: short stacking energy: -412.015 Base-Backbone interact. energy: 0.976 local terms energy: -569.472092 where: bonds (distance) C4'-P energy: -152.040 bonds (distance) P-C4' energy: -151.992 flat angles C4'-P-C4' energy: -132.219 flat angles P-C4'-P energy: -88.332 tors. eta vs tors. theta energy: -44.888 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: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -914.858962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.858962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.858962 (E_RNA) where: Base-Base interactions energy: -403.729 where: short stacking energy: -373.282 Base-Backbone interact. energy: -3.071 local terms energy: -508.059582 where: bonds (distance) C4'-P energy: -147.223 bonds (distance) P-C4' energy: -150.372 flat angles C4'-P-C4' energy: -125.989 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -867.253403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.253403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.253403 (E_RNA) where: Base-Base interactions energy: -374.053 where: short stacking energy: -302.225 Base-Backbone interact. energy: 8.868 local terms energy: -502.068089 where: bonds (distance) C4'-P energy: -149.725 bonds (distance) P-C4' energy: -158.464 flat angles C4'-P-C4' energy: -121.046 flat angles P-C4'-P energy: -53.063 tors. eta vs tors. theta energy: -19.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -752.731541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.731541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.731541 (E_RNA) where: Base-Base interactions energy: -282.756 where: short stacking energy: -261.862 Base-Backbone interact. energy: 1.213 local terms energy: -471.188826 where: bonds (distance) C4'-P energy: -137.840 bonds (distance) P-C4' energy: -145.296 flat angles C4'-P-C4' energy: -139.535 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: 17.615 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: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2527.493041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.493041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.493041 (E_RNA) where: Base-Base interactions energy: -1585.132 where: short stacking energy: -934.795 Base-Backbone interact. energy: -6.752 local terms energy: -935.608508 where: bonds (distance) C4'-P energy: -173.277 bonds (distance) P-C4' energy: -186.023 flat angles C4'-P-C4' energy: -197.134 flat angles P-C4'-P energy: -146.986 tors. eta vs tors. theta energy: -232.189 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: 2, replica: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2405.959735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.959735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.959735 (E_RNA) where: Base-Base interactions energy: -1496.670 where: short stacking energy: -907.180 Base-Backbone interact. energy: -3.403 local terms energy: -905.886715 where: bonds (distance) C4'-P energy: -173.322 bonds (distance) P-C4' energy: -164.887 flat angles C4'-P-C4' energy: -197.270 flat angles P-C4'-P energy: -135.138 tors. eta vs tors. theta energy: -235.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2181.199732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.199732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.199732 (E_RNA) where: Base-Base interactions energy: -1343.901 where: short stacking energy: -807.639 Base-Backbone interact. energy: -6.038 local terms energy: -831.259971 where: bonds (distance) C4'-P energy: -167.462 bonds (distance) P-C4' energy: -181.901 flat angles C4'-P-C4' energy: -185.476 flat angles P-C4'-P energy: -109.941 tors. eta vs tors. theta energy: -186.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1881.615174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.615174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.615174 (E_RNA) where: Base-Base interactions energy: -1086.976 where: short stacking energy: -688.448 Base-Backbone interact. energy: -0.914 local terms energy: -793.724309 where: bonds (distance) C4'-P energy: -171.527 bonds (distance) P-C4' energy: -169.911 flat angles C4'-P-C4' energy: -184.124 flat angles P-C4'-P energy: -112.891 tors. eta vs tors. theta energy: -155.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1565.102530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.102530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.102530 (E_RNA) where: Base-Base interactions energy: -863.073 where: short stacking energy: -534.130 Base-Backbone interact. energy: 2.382 local terms energy: -704.411131 where: bonds (distance) C4'-P energy: -156.871 bonds (distance) P-C4' energy: -154.436 flat angles C4'-P-C4' energy: -176.130 flat angles P-C4'-P energy: -118.459 tors. eta vs tors. theta energy: -98.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1313.204522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.204522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.204522 (E_RNA) where: Base-Base interactions energy: -714.346 where: short stacking energy: -438.087 Base-Backbone interact. energy: -2.893 local terms energy: -595.965638 where: bonds (distance) C4'-P energy: -135.396 bonds (distance) P-C4' energy: -160.515 flat angles C4'-P-C4' energy: -159.437 flat angles P-C4'-P energy: -90.089 tors. eta vs tors. theta energy: -50.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1086.870759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.870759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.870759 (E_RNA) where: Base-Base interactions energy: -491.125 where: short stacking energy: -410.475 Base-Backbone interact. energy: 0.821 local terms energy: -596.566927 where: bonds (distance) C4'-P energy: -149.373 bonds (distance) P-C4' energy: -149.723 flat angles C4'-P-C4' energy: -145.929 flat angles P-C4'-P energy: -96.202 tors. eta vs tors. theta energy: -55.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -941.483628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.483628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.483628 (E_RNA) where: Base-Base interactions energy: -429.844 where: short stacking energy: -335.272 Base-Backbone interact. energy: -1.544 local terms energy: -510.095131 where: bonds (distance) C4'-P energy: -141.725 bonds (distance) P-C4' energy: -142.470 flat angles C4'-P-C4' energy: -135.899 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -15.426 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: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -977.566003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.566003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.566003 (E_RNA) where: Base-Base interactions energy: -438.888 where: short stacking energy: -338.724 Base-Backbone interact. energy: 1.022 local terms energy: -539.700362 where: bonds (distance) C4'-P energy: -132.944 bonds (distance) P-C4' energy: -154.597 flat angles C4'-P-C4' energy: -141.073 flat angles P-C4'-P energy: -96.715 tors. eta vs tors. theta energy: -14.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -785.626110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.626110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.626110 (E_RNA) where: Base-Base interactions energy: -317.278 where: short stacking energy: -288.886 Base-Backbone interact. energy: 5.681 local terms energy: -474.029463 where: bonds (distance) C4'-P energy: -134.324 bonds (distance) P-C4' energy: -154.857 flat angles C4'-P-C4' energy: -113.932 flat angles P-C4'-P energy: -56.188 tors. eta vs tors. theta energy: -14.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2567.149528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.149528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.149528 (E_RNA) where: Base-Base interactions energy: -1613.111 where: short stacking energy: -965.067 Base-Backbone interact. energy: -5.989 local terms energy: -948.049792 where: bonds (distance) C4'-P energy: -164.927 bonds (distance) P-C4' energy: -186.583 flat angles C4'-P-C4' energy: -208.274 flat angles P-C4'-P energy: -148.995 tors. eta vs tors. theta energy: -239.270 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: 434 Temperature: 0.950000 Total energy: -2389.452611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.452611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.452611 (E_RNA) where: Base-Base interactions energy: -1483.395 where: short stacking energy: -868.001 Base-Backbone interact. energy: -4.684 local terms energy: -901.374072 where: bonds (distance) C4'-P energy: -176.062 bonds (distance) P-C4' energy: -184.719 flat angles C4'-P-C4' energy: -197.014 flat angles P-C4'-P energy: -127.434 tors. eta vs tors. theta energy: -216.144 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: 434 Temperature: 1.000000 Total energy: -2228.027400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.027400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.027400 (E_RNA) where: Base-Base interactions energy: -1381.067 where: short stacking energy: -861.916 Base-Backbone interact. energy: -2.620 local terms energy: -844.340702 where: bonds (distance) C4'-P energy: -150.458 bonds (distance) P-C4' energy: -168.042 flat angles C4'-P-C4' energy: -180.474 flat angles P-C4'-P energy: -120.786 tors. eta vs tors. theta energy: -224.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1898.393162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.393162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.393162 (E_RNA) where: Base-Base interactions energy: -1140.389 where: short stacking energy: -712.640 Base-Backbone interact. energy: -4.097 local terms energy: -753.907089 where: bonds (distance) C4'-P energy: -169.290 bonds (distance) P-C4' energy: -162.311 flat angles C4'-P-C4' energy: -188.447 flat angles P-C4'-P energy: -105.335 tors. eta vs tors. theta energy: -128.524 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: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1553.765441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.765441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.765441 (E_RNA) where: Base-Base interactions energy: -867.955 where: short stacking energy: -570.737 Base-Backbone interact. energy: -4.027 local terms energy: -681.783847 where: bonds (distance) C4'-P energy: -156.452 bonds (distance) P-C4' energy: -159.156 flat angles C4'-P-C4' energy: -176.761 flat angles P-C4'-P energy: -95.717 tors. eta vs tors. theta energy: -93.698 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: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1240.404262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.404262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.404262 (E_RNA) where: Base-Base interactions energy: -646.278 where: short stacking energy: -457.888 Base-Backbone interact. energy: -2.369 local terms energy: -591.757388 where: bonds (distance) C4'-P energy: -160.783 bonds (distance) P-C4' energy: -152.274 flat angles C4'-P-C4' energy: -128.736 flat angles P-C4'-P energy: -94.852 tors. eta vs tors. theta energy: -55.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1126.161618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.161618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.161618 (E_RNA) where: Base-Base interactions energy: -524.089 where: short stacking energy: -429.824 Base-Backbone interact. energy: 1.997 local terms energy: -604.068759 where: bonds (distance) C4'-P energy: -155.769 bonds (distance) P-C4' energy: -149.542 flat angles C4'-P-C4' energy: -136.313 flat angles P-C4'-P energy: -100.434 tors. eta vs tors. theta energy: -62.011 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: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -940.446461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.446461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.446461 (E_RNA) where: Base-Base interactions energy: -415.813 where: short stacking energy: -335.983 Base-Backbone interact. energy: 0.658 local terms energy: -525.291563 where: bonds (distance) C4'-P energy: -156.069 bonds (distance) P-C4' energy: -170.484 flat angles C4'-P-C4' energy: -137.329 flat angles P-C4'-P energy: -80.606 tors. eta vs tors. theta energy: 19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -826.391187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.391187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.391187 (E_RNA) where: Base-Base interactions energy: -356.729 where: short stacking energy: -333.223 Base-Backbone interact. energy: 3.397 local terms energy: -473.059099 where: bonds (distance) C4'-P energy: -141.118 bonds (distance) P-C4' energy: -155.165 flat angles C4'-P-C4' energy: -111.702 flat angles P-C4'-P energy: -77.513 tors. eta vs tors. theta energy: 12.438 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: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -781.864328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.864328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.864328 (E_RNA) where: Base-Base interactions energy: -337.046 where: short stacking energy: -290.301 Base-Backbone interact. energy: 5.518 local terms energy: -450.337047 where: bonds (distance) C4'-P energy: -152.572 bonds (distance) P-C4' energy: -126.486 flat angles C4'-P-C4' energy: -121.468 flat angles P-C4'-P energy: -56.213 tors. eta vs tors. theta energy: 6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2587.771254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.771254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.771254 (E_RNA) where: Base-Base interactions energy: -1616.150 where: short stacking energy: -967.930 Base-Backbone interact. energy: -0.671 local terms energy: -970.950497 where: bonds (distance) C4'-P energy: -171.834 bonds (distance) P-C4' energy: -183.487 flat angles C4'-P-C4' energy: -208.735 flat angles P-C4'-P energy: -150.535 tors. eta vs tors. theta energy: -256.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2409.351923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.351923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.351923 (E_RNA) where: Base-Base interactions energy: -1484.583 where: short stacking energy: -892.021 Base-Backbone interact. energy: -2.568 local terms energy: -922.200725 where: bonds (distance) C4'-P energy: -173.830 bonds (distance) P-C4' energy: -176.164 flat angles C4'-P-C4' energy: -218.830 flat angles P-C4'-P energy: -132.222 tors. eta vs tors. theta energy: -221.155 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: 3, replica: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2222.442179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.442179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.442179 (E_RNA) where: Base-Base interactions energy: -1388.928 where: short stacking energy: -853.265 Base-Backbone interact. energy: -3.163 local terms energy: -830.350860 where: bonds (distance) C4'-P energy: -151.468 bonds (distance) P-C4' energy: -177.444 flat angles C4'-P-C4' energy: -168.870 flat angles P-C4'-P energy: -136.763 tors. eta vs tors. theta energy: -195.806 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: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1924.296554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.296554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.296554 (E_RNA) where: Base-Base interactions energy: -1142.883 where: short stacking energy: -688.362 Base-Backbone interact. energy: -5.027 local terms energy: -776.386545 where: bonds (distance) C4'-P energy: -172.120 bonds (distance) P-C4' energy: -149.316 flat angles C4'-P-C4' energy: -193.482 flat angles P-C4'-P energy: -113.280 tors. eta vs tors. theta energy: -148.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1566.930232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.930232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.930232 (E_RNA) where: Base-Base interactions energy: -864.425 where: short stacking energy: -558.810 Base-Backbone interact. energy: 0.353 local terms energy: -702.857709 where: bonds (distance) C4'-P energy: -168.982 bonds (distance) P-C4' energy: -160.171 flat angles C4'-P-C4' energy: -166.105 flat angles P-C4'-P energy: -121.812 tors. eta vs tors. theta energy: -85.788 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: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1310.383952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.383952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.383952 (E_RNA) where: Base-Base interactions energy: -669.345 where: short stacking energy: -500.360 Base-Backbone interact. energy: -2.138 local terms energy: -638.900527 where: bonds (distance) C4'-P energy: -151.108 bonds (distance) P-C4' energy: -155.695 flat angles C4'-P-C4' energy: -165.788 flat angles P-C4'-P energy: -99.431 tors. eta vs tors. theta energy: -66.878 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: 435 Temperature: 1.200000 Total energy: -1104.037359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.037359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.037359 (E_RNA) where: Base-Base interactions energy: -542.426 where: short stacking energy: -408.091 Base-Backbone interact. energy: 1.673 local terms energy: -563.284683 where: bonds (distance) C4'-P energy: -150.354 bonds (distance) P-C4' energy: -149.970 flat angles C4'-P-C4' energy: -150.502 flat angles P-C4'-P energy: -76.970 tors. eta vs tors. theta energy: -35.489 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: 435 Temperature: 1.250000 Total energy: -977.197243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.197243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.197243 (E_RNA) where: Base-Base interactions energy: -430.064 where: short stacking energy: -353.621 Base-Backbone interact. energy: -1.872 local terms energy: -545.261560 where: bonds (distance) C4'-P energy: -163.830 bonds (distance) P-C4' energy: -154.738 flat angles C4'-P-C4' energy: -122.161 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -24.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -863.905996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.905996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.905996 (E_RNA) where: Base-Base interactions energy: -385.904 where: short stacking energy: -297.265 Base-Backbone interact. energy: 2.011 local terms energy: -480.012646 where: bonds (distance) C4'-P energy: -117.496 bonds (distance) P-C4' energy: -155.102 flat angles C4'-P-C4' energy: -144.215 flat angles P-C4'-P energy: -69.895 tors. eta vs tors. theta energy: 6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -738.957725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.957725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.957725 (E_RNA) where: Base-Base interactions energy: -327.661 where: short stacking energy: -270.707 Base-Backbone interact. energy: 11.286 local terms energy: -422.582841 where: bonds (distance) C4'-P energy: -110.739 bonds (distance) P-C4' energy: -143.126 flat angles C4'-P-C4' energy: -100.814 flat angles P-C4'-P energy: -90.379 tors. eta vs tors. theta energy: 22.475 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2561.105030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.105030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.105030 (E_RNA) where: Base-Base interactions energy: -1606.090 where: short stacking energy: -964.065 Base-Backbone interact. energy: -3.469 local terms energy: -951.546161 where: bonds (distance) C4'-P energy: -173.741 bonds (distance) P-C4' energy: -192.251 flat angles C4'-P-C4' energy: -213.262 flat angles P-C4'-P energy: -136.800 tors. eta vs tors. theta energy: -235.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2399.943552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.943552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.943552 (E_RNA) where: Base-Base interactions energy: -1483.812 where: short stacking energy: -902.077 Base-Backbone interact. energy: -6.013 local terms energy: -910.118063 where: bonds (distance) C4'-P energy: -158.178 bonds (distance) P-C4' energy: -190.940 flat angles C4'-P-C4' energy: -204.125 flat angles P-C4'-P energy: -136.386 tors. eta vs tors. theta energy: -220.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2207.495785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.495785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.495785 (E_RNA) where: Base-Base interactions energy: -1347.558 where: short stacking energy: -835.261 Base-Backbone interact. energy: -3.083 local terms energy: -856.854923 where: bonds (distance) C4'-P energy: -170.041 bonds (distance) P-C4' energy: -180.910 flat angles C4'-P-C4' energy: -190.240 flat angles P-C4'-P energy: -127.268 tors. eta vs tors. theta energy: -188.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1930.631545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.631545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.631545 (E_RNA) where: Base-Base interactions energy: -1160.900 where: short stacking energy: -693.139 Base-Backbone interact. energy: -5.278 local terms energy: -764.452913 where: bonds (distance) C4'-P energy: -159.950 bonds (distance) P-C4' energy: -161.901 flat angles C4'-P-C4' energy: -186.350 flat angles P-C4'-P energy: -118.589 tors. eta vs tors. theta energy: -137.663 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1655.727524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.727524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.727524 (E_RNA) where: Base-Base interactions energy: -978.794 where: short stacking energy: -651.719 Base-Backbone interact. energy: -1.793 local terms energy: -675.140322 where: bonds (distance) C4'-P energy: -145.543 bonds (distance) P-C4' energy: -151.169 flat angles C4'-P-C4' energy: -161.563 flat angles P-C4'-P energy: -83.088 tors. eta vs tors. theta energy: -133.777 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: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1299.767600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.767600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.767600 (E_RNA) where: Base-Base interactions energy: -659.012 where: short stacking energy: -513.412 Base-Backbone interact. energy: -1.850 local terms energy: -638.905185 where: bonds (distance) C4'-P energy: -141.299 bonds (distance) P-C4' energy: -182.773 flat angles C4'-P-C4' energy: -149.089 flat angles P-C4'-P energy: -102.997 tors. eta vs tors. theta energy: -62.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1126.133969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.133969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.133969 (E_RNA) where: Base-Base interactions energy: -551.066 where: short stacking energy: -416.315 Base-Backbone interact. energy: 0.794 local terms energy: -575.861126 where: bonds (distance) C4'-P energy: -157.597 bonds (distance) P-C4' energy: -158.637 flat angles C4'-P-C4' energy: -145.227 flat angles P-C4'-P energy: -81.637 tors. eta vs tors. theta energy: -32.763 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: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1070.734840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.734840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.734840 (E_RNA) where: Base-Base interactions energy: -485.772 where: short stacking energy: -381.434 Base-Backbone interact. energy: -1.161 local terms energy: -583.802585 where: bonds (distance) C4'-P energy: -165.365 bonds (distance) P-C4' energy: -146.363 flat angles C4'-P-C4' energy: -157.341 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -29.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -808.053653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.053653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.053653 (E_RNA) where: Base-Base interactions energy: -296.049 where: short stacking energy: -253.746 Base-Backbone interact. energy: -1.760 local terms energy: -510.244291 where: bonds (distance) C4'-P energy: -166.989 bonds (distance) P-C4' energy: -160.052 flat angles C4'-P-C4' energy: -121.255 flat angles P-C4'-P energy: -83.106 tors. eta vs tors. theta energy: 21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -731.469153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.469153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.469153 (E_RNA) where: Base-Base interactions energy: -284.482 where: short stacking energy: -252.274 Base-Backbone interact. energy: 5.187 local terms energy: -452.174502 where: bonds (distance) C4'-P energy: -133.106 bonds (distance) P-C4' energy: -156.168 flat angles C4'-P-C4' energy: -121.581 flat angles P-C4'-P energy: -58.707 tors. eta vs tors. theta energy: 17.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2551.178119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.178119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.178119 (E_RNA) where: Base-Base interactions energy: -1592.479 where: short stacking energy: -960.945 Base-Backbone interact. energy: -3.079 local terms energy: -955.619794 where: bonds (distance) C4'-P energy: -172.055 bonds (distance) P-C4' energy: -180.691 flat angles C4'-P-C4' energy: -205.622 flat angles P-C4'-P energy: -146.689 tors. eta vs tors. theta energy: -250.562 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: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2355.197358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.197358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.197358 (E_RNA) where: Base-Base interactions energy: -1451.122 where: short stacking energy: -884.327 Base-Backbone interact. energy: -0.419 local terms energy: -903.656271 where: bonds (distance) C4'-P energy: -162.078 bonds (distance) P-C4' energy: -190.467 flat angles C4'-P-C4' energy: -195.232 flat angles P-C4'-P energy: -134.715 tors. eta vs tors. theta energy: -221.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2252.313475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.313475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.313475 (E_RNA) where: Base-Base interactions energy: -1410.969 where: short stacking energy: -854.829 Base-Backbone interact. energy: -4.311 local terms energy: -837.032984 where: bonds (distance) C4'-P energy: -167.537 bonds (distance) P-C4' energy: -172.344 flat angles C4'-P-C4' energy: -187.709 flat angles P-C4'-P energy: -106.719 tors. eta vs tors. theta energy: -202.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1912.022434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.022434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.022434 (E_RNA) where: Base-Base interactions energy: -1129.550 where: short stacking energy: -700.908 Base-Backbone interact. energy: 2.784 local terms energy: -785.255714 where: bonds (distance) C4'-P energy: -171.510 bonds (distance) P-C4' energy: -179.367 flat angles C4'-P-C4' energy: -169.538 flat angles P-C4'-P energy: -114.094 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: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1677.851217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.851217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.851217 (E_RNA) where: Base-Base interactions energy: -953.258 where: short stacking energy: -623.159 Base-Backbone interact. energy: -3.884 local terms energy: -720.709762 where: bonds (distance) C4'-P energy: -158.700 bonds (distance) P-C4' energy: -174.938 flat angles C4'-P-C4' energy: -182.361 flat angles P-C4'-P energy: -92.218 tors. eta vs tors. theta energy: -112.494 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: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1297.358737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.358737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.358737 (E_RNA) where: Base-Base interactions energy: -685.016 where: short stacking energy: -475.462 Base-Backbone interact. energy: -4.148 local terms energy: -608.194448 where: bonds (distance) C4'-P energy: -151.018 bonds (distance) P-C4' energy: -153.517 flat angles C4'-P-C4' energy: -150.148 flat angles P-C4'-P energy: -106.043 tors. eta vs tors. theta energy: -47.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1132.514172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.514172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.514172 (E_RNA) where: Base-Base interactions energy: -564.223 where: short stacking energy: -443.283 Base-Backbone interact. energy: 4.458 local terms energy: -572.748414 where: bonds (distance) C4'-P energy: -148.326 bonds (distance) P-C4' energy: -137.726 flat angles C4'-P-C4' energy: -152.504 flat angles P-C4'-P energy: -89.776 tors. eta vs tors. theta energy: -44.417 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: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -977.502440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.502440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.502440 (E_RNA) where: Base-Base interactions energy: -418.478 where: short stacking energy: -318.677 Base-Backbone interact. energy: 3.462 local terms energy: -562.485787 where: bonds (distance) C4'-P energy: -155.707 bonds (distance) P-C4' energy: -177.167 flat angles C4'-P-C4' energy: -146.655 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -18.476 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: 437 Temperature: 1.300000 Total energy: -818.842383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.842383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.842383 (E_RNA) where: Base-Base interactions energy: -323.655 where: short stacking energy: -284.471 Base-Backbone interact. energy: -1.445 local terms energy: -493.742582 where: bonds (distance) C4'-P energy: -142.035 bonds (distance) P-C4' energy: -135.183 flat angles C4'-P-C4' energy: -135.295 flat angles P-C4'-P energy: -76.171 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -779.876256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.876256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.876256 (E_RNA) where: Base-Base interactions energy: -323.026 where: short stacking energy: -264.332 Base-Backbone interact. energy: 2.539 local terms energy: -459.389878 where: bonds (distance) C4'-P energy: -141.585 bonds (distance) P-C4' energy: -140.149 flat angles C4'-P-C4' energy: -118.793 flat angles P-C4'-P energy: -56.484 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2574.437071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.437071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.437071 (E_RNA) where: Base-Base interactions energy: -1630.001 where: short stacking energy: -977.066 Base-Backbone interact. energy: 5.117 local terms energy: -949.552726 where: bonds (distance) C4'-P energy: -175.917 bonds (distance) P-C4' energy: -183.487 flat angles C4'-P-C4' energy: -201.474 flat angles P-C4'-P energy: -142.291 tors. eta vs tors. theta energy: -246.384 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: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2395.216235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.216235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.216235 (E_RNA) where: Base-Base interactions energy: -1489.556 where: short stacking energy: -913.626 Base-Backbone interact. energy: -0.961 local terms energy: -904.698453 where: bonds (distance) C4'-P energy: -186.853 bonds (distance) P-C4' energy: -192.508 flat angles C4'-P-C4' energy: -188.628 flat angles P-C4'-P energy: -113.522 tors. eta vs tors. theta energy: -223.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2308.176877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.176877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.176877 (E_RNA) where: Base-Base interactions energy: -1424.906 where: short stacking energy: -880.580 Base-Backbone interact. energy: 6.167 local terms energy: -889.438319 where: bonds (distance) C4'-P energy: -181.350 bonds (distance) P-C4' energy: -178.237 flat angles C4'-P-C4' energy: -187.798 flat angles P-C4'-P energy: -119.189 tors. eta vs tors. theta energy: -222.865 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: 438 Temperature: 1.050000 Total energy: -1905.449861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.449861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.449861 (E_RNA) where: Base-Base interactions energy: -1119.125 where: short stacking energy: -695.755 Base-Backbone interact. energy: -4.766 local terms energy: -781.558462 where: bonds (distance) C4'-P energy: -153.877 bonds (distance) P-C4' energy: -192.382 flat angles C4'-P-C4' energy: -170.598 flat angles P-C4'-P energy: -121.452 tors. eta vs tors. theta energy: -143.249 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: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1679.446613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.446613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.446613 (E_RNA) where: Base-Base interactions energy: -967.048 where: short stacking energy: -651.867 Base-Backbone interact. energy: -1.355 local terms energy: -711.042929 where: bonds (distance) C4'-P energy: -143.785 bonds (distance) P-C4' energy: -171.590 flat angles C4'-P-C4' energy: -168.544 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -118.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1235.491336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.491336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.491336 (E_RNA) where: Base-Base interactions energy: -632.123 where: short stacking energy: -482.719 Base-Backbone interact. energy: 1.716 local terms energy: -605.084557 where: bonds (distance) C4'-P energy: -149.461 bonds (distance) P-C4' energy: -164.553 flat angles C4'-P-C4' energy: -163.891 flat angles P-C4'-P energy: -86.424 tors. eta vs tors. theta energy: -40.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1158.681956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.681956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.681956 (E_RNA) where: Base-Base interactions energy: -597.317 where: short stacking energy: -449.314 Base-Backbone interact. energy: -2.895 local terms energy: -558.469169 where: bonds (distance) C4'-P energy: -123.579 bonds (distance) P-C4' energy: -169.837 flat angles C4'-P-C4' energy: -133.299 flat angles P-C4'-P energy: -100.559 tors. eta vs tors. theta energy: -31.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -991.161259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.161259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.161259 (E_RNA) where: Base-Base interactions energy: -428.349 where: short stacking energy: -360.991 Base-Backbone interact. energy: -4.579 local terms energy: -558.232853 where: bonds (distance) C4'-P energy: -146.068 bonds (distance) P-C4' energy: -173.109 flat angles C4'-P-C4' energy: -139.870 flat angles P-C4'-P energy: -84.723 tors. eta vs tors. theta energy: -14.464 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: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -846.082256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.082256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.082256 (E_RNA) where: Base-Base interactions energy: -358.690 where: short stacking energy: -328.487 Base-Backbone interact. energy: -3.449 local terms energy: -483.943978 where: bonds (distance) C4'-P energy: -130.865 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -134.211 flat angles P-C4'-P energy: -94.142 tors. eta vs tors. theta energy: 11.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -756.719181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.719181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.719181 (E_RNA) where: Base-Base interactions energy: -323.185 where: short stacking energy: -274.629 Base-Backbone interact. energy: -1.377 local terms energy: -432.157709 where: bonds (distance) C4'-P energy: -141.200 bonds (distance) P-C4' energy: -132.176 flat angles C4'-P-C4' energy: -122.842 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: 27.784 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: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2574.071390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.071390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.071390 (E_RNA) where: Base-Base interactions energy: -1598.273 where: short stacking energy: -952.607 Base-Backbone interact. energy: -5.854 local terms energy: -969.944380 where: bonds (distance) C4'-P energy: -188.110 bonds (distance) P-C4' energy: -194.396 flat angles C4'-P-C4' energy: -207.756 flat angles P-C4'-P energy: -135.133 tors. eta vs tors. theta energy: -244.549 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: 439 Temperature: 0.950000 Total energy: -2373.512376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.512376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.512376 (E_RNA) where: Base-Base interactions energy: -1490.089 where: short stacking energy: -884.915 Base-Backbone interact. energy: -2.215 local terms energy: -881.208431 where: bonds (distance) C4'-P energy: -162.089 bonds (distance) P-C4' energy: -186.473 flat angles C4'-P-C4' energy: -202.408 flat angles P-C4'-P energy: -117.556 tors. eta vs tors. theta energy: -212.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2275.620821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.620821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.620821 (E_RNA) where: Base-Base interactions energy: -1432.131 where: short stacking energy: -904.545 Base-Backbone interact. energy: 2.492 local terms energy: -845.981705 where: bonds (distance) C4'-P energy: -171.366 bonds (distance) P-C4' energy: -158.528 flat angles C4'-P-C4' energy: -183.364 flat angles P-C4'-P energy: -110.374 tors. eta vs tors. theta energy: -222.349 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: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1923.303070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.303070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.303070 (E_RNA) where: Base-Base interactions energy: -1151.402 where: short stacking energy: -696.577 Base-Backbone interact. energy: 0.024 local terms energy: -771.925126 where: bonds (distance) C4'-P energy: -168.432 bonds (distance) P-C4' energy: -174.584 flat angles C4'-P-C4' energy: -186.966 flat angles P-C4'-P energy: -110.211 tors. eta vs tors. theta energy: -131.732 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: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1607.172960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.172960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.172960 (E_RNA) where: Base-Base interactions energy: -908.844 where: short stacking energy: -576.585 Base-Backbone interact. energy: -3.543 local terms energy: -694.785572 where: bonds (distance) C4'-P energy: -170.189 bonds (distance) P-C4' energy: -173.694 flat angles C4'-P-C4' energy: -157.011 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -107.718 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: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1294.015683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.015683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.015683 (E_RNA) where: Base-Base interactions energy: -655.654 where: short stacking energy: -465.752 Base-Backbone interact. energy: 2.879 local terms energy: -641.240060 where: bonds (distance) C4'-P energy: -168.426 bonds (distance) P-C4' energy: -166.557 flat angles C4'-P-C4' energy: -154.827 flat angles P-C4'-P energy: -86.786 tors. eta vs tors. theta energy: -64.644 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: 8 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1238.056588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.056588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.056588 (E_RNA) where: Base-Base interactions energy: -624.652 where: short stacking energy: -492.782 Base-Backbone interact. energy: -0.194 local terms energy: -613.210553 where: bonds (distance) C4'-P energy: -157.507 bonds (distance) P-C4' energy: -160.757 flat angles C4'-P-C4' energy: -139.238 flat angles P-C4'-P energy: -89.314 tors. eta vs tors. theta energy: -66.394 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: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1007.422725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.422725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.422725 (E_RNA) where: Base-Base interactions energy: -459.765 where: short stacking energy: -317.138 Base-Backbone interact. energy: 2.777 local terms energy: -550.434350 where: bonds (distance) C4'-P energy: -140.895 bonds (distance) P-C4' energy: -159.013 flat angles C4'-P-C4' energy: -149.478 flat angles P-C4'-P energy: -85.235 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -828.872316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.872316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.872316 (E_RNA) where: Base-Base interactions energy: -336.492 where: short stacking energy: -287.333 Base-Backbone interact. energy: 3.203 local terms energy: -495.583886 where: bonds (distance) C4'-P energy: -137.412 bonds (distance) P-C4' energy: -152.829 flat angles C4'-P-C4' energy: -132.502 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: 6.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -770.992189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.992189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.992189 (E_RNA) where: Base-Base interactions energy: -288.752 where: short stacking energy: -257.036 Base-Backbone interact. energy: 3.614 local terms energy: -485.854233 where: bonds (distance) C4'-P energy: -145.944 bonds (distance) P-C4' energy: -156.005 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: 1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2595.044163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.044163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.044163 (E_RNA) where: Base-Base interactions energy: -1604.974 where: short stacking energy: -969.240 Base-Backbone interact. energy: -4.478 local terms energy: -985.591489 where: bonds (distance) C4'-P energy: -182.393 bonds (distance) P-C4' energy: -198.886 flat angles C4'-P-C4' energy: -215.389 flat angles P-C4'-P energy: -139.777 tors. eta vs tors. theta energy: -249.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2343.043273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.043273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.043273 (E_RNA) where: Base-Base interactions energy: -1445.170 where: short stacking energy: -883.168 Base-Backbone interact. energy: -3.179 local terms energy: -894.695172 where: bonds (distance) C4'-P energy: -177.000 bonds (distance) P-C4' energy: -182.379 flat angles C4'-P-C4' energy: -185.090 flat angles P-C4'-P energy: -133.085 tors. eta vs tors. theta energy: -217.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2266.571004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.571004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.571004 (E_RNA) where: Base-Base interactions energy: -1422.221 where: short stacking energy: -906.055 Base-Backbone interact. energy: -3.728 local terms energy: -840.622276 where: bonds (distance) C4'-P energy: -127.078 bonds (distance) P-C4' energy: -172.670 flat angles C4'-P-C4' energy: -196.640 flat angles P-C4'-P energy: -121.359 tors. eta vs tors. theta energy: -222.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1907.965786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.965786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.965786 (E_RNA) where: Base-Base interactions energy: -1147.246 where: short stacking energy: -713.148 Base-Backbone interact. energy: -4.504 local terms energy: -756.215827 where: bonds (distance) C4'-P energy: -169.430 bonds (distance) P-C4' energy: -152.512 flat angles C4'-P-C4' energy: -186.654 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -144.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1661.315452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.315452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.315452 (E_RNA) where: Base-Base interactions energy: -950.459 where: short stacking energy: -613.629 Base-Backbone interact. energy: -0.897 local terms energy: -709.959399 where: bonds (distance) C4'-P energy: -157.461 bonds (distance) P-C4' energy: -173.951 flat angles C4'-P-C4' energy: -155.791 flat angles P-C4'-P energy: -103.855 tors. eta vs tors. theta energy: -118.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1251.268022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.268022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.268022 (E_RNA) where: Base-Base interactions energy: -651.957 where: short stacking energy: -509.198 Base-Backbone interact. energy: -1.798 local terms energy: -597.512833 where: bonds (distance) C4'-P energy: -152.533 bonds (distance) P-C4' energy: -157.270 flat angles C4'-P-C4' energy: -125.652 flat angles P-C4'-P energy: -86.837 tors. eta vs tors. theta energy: -75.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1216.339497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.339497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.339497 (E_RNA) where: Base-Base interactions energy: -603.416 where: short stacking energy: -465.332 Base-Backbone interact. energy: 0.333 local terms energy: -613.256529 where: bonds (distance) C4'-P energy: -132.184 bonds (distance) P-C4' energy: -184.350 flat angles C4'-P-C4' energy: -156.139 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -50.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -994.307601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.307601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.307601 (E_RNA) where: Base-Base interactions energy: -474.660 where: short stacking energy: -385.659 Base-Backbone interact. energy: -0.846 local terms energy: -518.801798 where: bonds (distance) C4'-P energy: -132.705 bonds (distance) P-C4' energy: -168.831 flat angles C4'-P-C4' energy: -127.199 flat angles P-C4'-P energy: -73.688 tors. eta vs tors. theta energy: -16.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -868.309132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.309132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.309132 (E_RNA) where: Base-Base interactions energy: -366.499 where: short stacking energy: -317.830 Base-Backbone interact. energy: 1.373 local terms energy: -503.183642 where: bonds (distance) C4'-P energy: -116.062 bonds (distance) P-C4' energy: -169.092 flat angles C4'-P-C4' energy: -150.970 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: 10.129 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: 440 Temperature: 1.350000 Total energy: -767.859756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.859756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.859756 (E_RNA) where: Base-Base interactions energy: -342.139 where: short stacking energy: -266.182 Base-Backbone interact. energy: -4.090 local terms energy: -421.630496 where: bonds (distance) C4'-P energy: -122.775 bonds (distance) P-C4' energy: -132.679 flat angles C4'-P-C4' energy: -131.163 flat angles P-C4'-P energy: -54.963 tors. eta vs tors. theta energy: 19.949 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: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2611.165607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.165607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.165607 (E_RNA) where: Base-Base interactions energy: -1646.812 where: short stacking energy: -968.663 Base-Backbone interact. energy: -3.607 local terms energy: -960.746636 where: bonds (distance) C4'-P energy: -179.491 bonds (distance) P-C4' energy: -175.606 flat angles C4'-P-C4' energy: -205.325 flat angles P-C4'-P energy: -147.235 tors. eta vs tors. theta energy: -253.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2364.527902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.527902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.527902 (E_RNA) where: Base-Base interactions energy: -1491.183 where: short stacking energy: -903.873 Base-Backbone interact. energy: -4.409 local terms energy: -868.935915 where: bonds (distance) C4'-P energy: -161.552 bonds (distance) P-C4' energy: -169.833 flat angles C4'-P-C4' energy: -204.877 flat angles P-C4'-P energy: -121.823 tors. eta vs tors. theta energy: -210.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2269.815803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.815803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.815803 (E_RNA) where: Base-Base interactions energy: -1410.200 where: short stacking energy: -874.000 Base-Backbone interact. energy: -0.423 local terms energy: -859.192803 where: bonds (distance) C4'-P energy: -163.512 bonds (distance) P-C4' energy: -158.465 flat angles C4'-P-C4' energy: -193.211 flat angles P-C4'-P energy: -129.886 tors. eta vs tors. theta energy: -214.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1893.876469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.876469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.876469 (E_RNA) where: Base-Base interactions energy: -1105.298 where: short stacking energy: -687.192 Base-Backbone interact. energy: -1.814 local terms energy: -786.764260 where: bonds (distance) C4'-P energy: -158.530 bonds (distance) P-C4' energy: -176.140 flat angles C4'-P-C4' energy: -188.198 flat angles P-C4'-P energy: -115.583 tors. eta vs tors. theta energy: -148.313 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: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1615.383261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.383261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.383261 (E_RNA) where: Base-Base interactions energy: -928.218 where: short stacking energy: -571.313 Base-Backbone interact. energy: 1.775 local terms energy: -688.940057 where: bonds (distance) C4'-P energy: -168.980 bonds (distance) P-C4' energy: -169.730 flat angles C4'-P-C4' energy: -160.653 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -87.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1338.209457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.209457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.209457 (E_RNA) where: Base-Base interactions energy: -683.563 where: short stacking energy: -504.911 Base-Backbone interact. energy: 0.275 local terms energy: -654.920704 where: bonds (distance) C4'-P energy: -151.218 bonds (distance) P-C4' energy: -150.535 flat angles C4'-P-C4' energy: -161.273 flat angles P-C4'-P energy: -112.738 tors. eta vs tors. theta energy: -79.157 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: 8 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1105.893343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.893343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.893343 (E_RNA) where: Base-Base interactions energy: -496.604 where: short stacking energy: -390.957 Base-Backbone interact. energy: -1.817 local terms energy: -607.472792 where: bonds (distance) C4'-P energy: -142.596 bonds (distance) P-C4' energy: -160.530 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -49.268 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: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -960.496710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.496710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.496710 (E_RNA) where: Base-Base interactions energy: -415.112 where: short stacking energy: -386.264 Base-Backbone interact. energy: -2.329 local terms energy: -543.055888 where: bonds (distance) C4'-P energy: -155.589 bonds (distance) P-C4' energy: -158.071 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -76.623 tors. eta vs tors. theta energy: -17.274 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: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -817.984775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.984775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.984775 (E_RNA) where: Base-Base interactions energy: -358.691 where: short stacking energy: -300.021 Base-Backbone interact. energy: 0.269 local terms energy: -459.562400 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -133.423 flat angles C4'-P-C4' energy: -131.148 flat angles P-C4'-P energy: -94.705 tors. eta vs tors. theta energy: 10.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -795.307359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.307359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.307359 (E_RNA) where: Base-Base interactions energy: -360.249 where: short stacking energy: -288.107 Base-Backbone interact. energy: -0.935 local terms energy: -434.123299 where: bonds (distance) C4'-P energy: -163.500 bonds (distance) P-C4' energy: -129.421 flat angles C4'-P-C4' energy: -104.063 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: 8.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2624.844242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.844242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.844242 (E_RNA) where: Base-Base interactions energy: -1665.370 where: short stacking energy: -992.740 Base-Backbone interact. energy: -6.340 local terms energy: -953.134705 where: bonds (distance) C4'-P energy: -186.099 bonds (distance) P-C4' energy: -171.754 flat angles C4'-P-C4' energy: -215.523 flat angles P-C4'-P energy: -123.876 tors. eta vs tors. theta energy: -255.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2327.253290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.253290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.253290 (E_RNA) where: Base-Base interactions energy: -1425.391 where: short stacking energy: -857.773 Base-Backbone interact. energy: -5.560 local terms energy: -896.302144 where: bonds (distance) C4'-P energy: -175.701 bonds (distance) P-C4' energy: -188.780 flat angles C4'-P-C4' energy: -187.484 flat angles P-C4'-P energy: -122.562 tors. eta vs tors. theta energy: -221.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2214.106275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.106275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.106275 (E_RNA) where: Base-Base interactions energy: -1310.143 where: short stacking energy: -839.711 Base-Backbone interact. energy: -3.419 local terms energy: -900.544420 where: bonds (distance) C4'-P energy: -167.973 bonds (distance) P-C4' energy: -186.952 flat angles C4'-P-C4' energy: -200.566 flat angles P-C4'-P energy: -141.689 tors. eta vs tors. theta energy: -203.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1861.162581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.162581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.162581 (E_RNA) where: Base-Base interactions energy: -1091.246 where: short stacking energy: -624.785 Base-Backbone interact. energy: -3.391 local terms energy: -766.525263 where: bonds (distance) C4'-P energy: -155.613 bonds (distance) P-C4' energy: -184.411 flat angles C4'-P-C4' energy: -180.380 flat angles P-C4'-P energy: -127.460 tors. eta vs tors. theta energy: -118.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1617.715303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.715303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.715303 (E_RNA) where: Base-Base interactions energy: -888.272 where: short stacking energy: -566.201 Base-Backbone interact. energy: -5.892 local terms energy: -723.551289 where: bonds (distance) C4'-P energy: -180.437 bonds (distance) P-C4' energy: -166.700 flat angles C4'-P-C4' energy: -176.348 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -106.147 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: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1307.488608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.488608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.488608 (E_RNA) where: Base-Base interactions energy: -703.566 where: short stacking energy: -494.903 Base-Backbone interact. energy: 1.532 local terms energy: -605.454389 where: bonds (distance) C4'-P energy: -151.602 bonds (distance) P-C4' energy: -168.496 flat angles C4'-P-C4' energy: -145.996 flat angles P-C4'-P energy: -75.602 tors. eta vs tors. theta energy: -63.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1140.550849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.550849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.550849 (E_RNA) where: Base-Base interactions energy: -559.813 where: short stacking energy: -433.293 Base-Backbone interact. energy: -0.248 local terms energy: -580.490148 where: bonds (distance) C4'-P energy: -147.611 bonds (distance) P-C4' energy: -174.617 flat angles C4'-P-C4' energy: -132.050 flat angles P-C4'-P energy: -81.048 tors. eta vs tors. theta energy: -45.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -890.997998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.997998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.997998 (E_RNA) where: Base-Base interactions energy: -369.941 where: short stacking energy: -333.919 Base-Backbone interact. energy: 0.854 local terms energy: -521.911043 where: bonds (distance) C4'-P energy: -147.306 bonds (distance) P-C4' energy: -157.576 flat angles C4'-P-C4' energy: -136.343 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -822.967178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.967178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.967178 (E_RNA) where: Base-Base interactions energy: -350.961 where: short stacking energy: -272.553 Base-Backbone interact. energy: 2.374 local terms energy: -474.380524 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -117.132 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -763.517110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.517110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.517110 (E_RNA) where: Base-Base interactions energy: -305.276 where: short stacking energy: -253.727 Base-Backbone interact. energy: 6.409 local terms energy: -464.650580 where: bonds (distance) C4'-P energy: -126.298 bonds (distance) P-C4' energy: -154.869 flat angles C4'-P-C4' energy: -130.906 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: 8.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2549.051011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.051011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.051011 (E_RNA) where: Base-Base interactions energy: -1611.605 where: short stacking energy: -930.067 Base-Backbone interact. energy: -3.628 local terms energy: -933.818154 where: bonds (distance) C4'-P energy: -185.109 bonds (distance) P-C4' energy: -179.904 flat angles C4'-P-C4' energy: -201.176 flat angles P-C4'-P energy: -134.999 tors. eta vs tors. theta energy: -232.630 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: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2333.990534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.990534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.990534 (E_RNA) where: Base-Base interactions energy: -1446.958 where: short stacking energy: -898.485 Base-Backbone interact. energy: -5.597 local terms energy: -881.435699 where: bonds (distance) C4'-P energy: -163.993 bonds (distance) P-C4' energy: -171.166 flat angles C4'-P-C4' energy: -196.585 flat angles P-C4'-P energy: -119.558 tors. eta vs tors. theta energy: -230.134 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: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2200.679032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.679032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.679032 (E_RNA) where: Base-Base interactions energy: -1355.046 where: short stacking energy: -810.608 Base-Backbone interact. energy: -2.763 local terms energy: -842.869563 where: bonds (distance) C4'-P energy: -154.332 bonds (distance) P-C4' energy: -184.551 flat angles C4'-P-C4' energy: -188.376 flat angles P-C4'-P energy: -127.212 tors. eta vs tors. theta energy: -188.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1871.253899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.253899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.253899 (E_RNA) where: Base-Base interactions energy: -1099.715 where: short stacking energy: -692.407 Base-Backbone interact. energy: -1.515 local terms energy: -770.023490 where: bonds (distance) C4'-P energy: -166.927 bonds (distance) P-C4' energy: -169.948 flat angles C4'-P-C4' energy: -172.068 flat angles P-C4'-P energy: -112.201 tors. eta vs tors. theta energy: -148.879 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: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1658.179538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.179538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.179538 (E_RNA) where: Base-Base interactions energy: -962.071 where: short stacking energy: -615.395 Base-Backbone interact. energy: 4.404 local terms energy: -700.512291 where: bonds (distance) C4'-P energy: -165.666 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -166.608 flat angles P-C4'-P energy: -107.159 tors. eta vs tors. theta energy: -110.044 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: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1338.730106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.730106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.730106 (E_RNA) where: Base-Base interactions energy: -678.371 where: short stacking energy: -473.081 Base-Backbone interact. energy: -0.969 local terms energy: -659.390377 where: bonds (distance) C4'-P energy: -148.657 bonds (distance) P-C4' energy: -176.848 flat angles C4'-P-C4' energy: -146.665 flat angles P-C4'-P energy: -120.910 tors. eta vs tors. theta energy: -66.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1126.449573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.449573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.449573 (E_RNA) where: Base-Base interactions energy: -531.347 where: short stacking energy: -398.394 Base-Backbone interact. energy: 3.967 local terms energy: -599.069567 where: bonds (distance) C4'-P energy: -133.567 bonds (distance) P-C4' energy: -168.635 flat angles C4'-P-C4' energy: -157.407 flat angles P-C4'-P energy: -90.734 tors. eta vs tors. theta energy: -48.727 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: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -938.603084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.603084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.603084 (E_RNA) where: Base-Base interactions energy: -387.710 where: short stacking energy: -367.235 Base-Backbone interact. energy: -0.916 local terms energy: -549.976997 where: bonds (distance) C4'-P energy: -163.502 bonds (distance) P-C4' energy: -146.951 flat angles C4'-P-C4' energy: -138.374 flat angles P-C4'-P energy: -85.070 tors. eta vs tors. theta energy: -16.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -821.545307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.545307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.545307 (E_RNA) where: Base-Base interactions energy: -290.512 where: short stacking energy: -267.318 Base-Backbone interact. energy: -2.103 local terms energy: -528.931285 where: bonds (distance) C4'-P energy: -123.187 bonds (distance) P-C4' energy: -172.356 flat angles C4'-P-C4' energy: -145.476 flat angles P-C4'-P energy: -89.331 tors. eta vs tors. theta energy: 1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -794.737537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.737537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.737537 (E_RNA) where: Base-Base interactions energy: -322.918 where: short stacking energy: -264.559 Base-Backbone interact. energy: 3.768 local terms energy: -475.587627 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -148.296 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: -13.027 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: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2617.863001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.863001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.863001 (E_RNA) where: Base-Base interactions energy: -1642.015 where: short stacking energy: -990.416 Base-Backbone interact. energy: -7.211 local terms energy: -968.637138 where: bonds (distance) C4'-P energy: -177.080 bonds (distance) P-C4' energy: -181.162 flat angles C4'-P-C4' energy: -196.593 flat angles P-C4'-P energy: -155.974 tors. eta vs tors. theta energy: -257.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2372.536563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.536563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.536563 (E_RNA) where: Base-Base interactions energy: -1457.815 where: short stacking energy: -870.337 Base-Backbone interact. energy: -3.168 local terms energy: -911.553069 where: bonds (distance) C4'-P energy: -164.488 bonds (distance) P-C4' energy: -196.153 flat angles C4'-P-C4' energy: -193.330 flat angles P-C4'-P energy: -133.729 tors. eta vs tors. theta energy: -223.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2165.243795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.243795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.243795 (E_RNA) where: Base-Base interactions energy: -1317.367 where: short stacking energy: -803.789 Base-Backbone interact. energy: -5.049 local terms energy: -842.826960 where: bonds (distance) C4'-P energy: -165.337 bonds (distance) P-C4' energy: -174.736 flat angles C4'-P-C4' energy: -191.125 flat angles P-C4'-P energy: -118.514 tors. eta vs tors. theta energy: -193.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1868.264866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.264866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.264866 (E_RNA) where: Base-Base interactions energy: -1100.422 where: short stacking energy: -675.709 Base-Backbone interact. energy: -3.024 local terms energy: -764.818639 where: bonds (distance) C4'-P energy: -164.119 bonds (distance) P-C4' energy: -165.936 flat angles C4'-P-C4' energy: -169.442 flat angles P-C4'-P energy: -112.472 tors. eta vs tors. theta energy: -152.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1610.501797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.501797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.501797 (E_RNA) where: Base-Base interactions energy: -902.509 where: short stacking energy: -573.665 Base-Backbone interact. energy: 1.786 local terms energy: -709.779549 where: bonds (distance) C4'-P energy: -164.555 bonds (distance) P-C4' energy: -176.577 flat angles C4'-P-C4' energy: -161.703 flat angles P-C4'-P energy: -100.129 tors. eta vs tors. theta energy: -106.815 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: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1386.098959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.098959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.098959 (E_RNA) where: Base-Base interactions energy: -741.797 where: short stacking energy: -541.033 Base-Backbone interact. energy: 2.754 local terms energy: -647.055502 where: bonds (distance) C4'-P energy: -144.268 bonds (distance) P-C4' energy: -168.366 flat angles C4'-P-C4' energy: -151.139 flat angles P-C4'-P energy: -106.107 tors. eta vs tors. theta energy: -77.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1147.101185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.101185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.101185 (E_RNA) where: Base-Base interactions energy: -556.098 where: short stacking energy: -403.433 Base-Backbone interact. energy: -1.512 local terms energy: -589.490805 where: bonds (distance) C4'-P energy: -172.351 bonds (distance) P-C4' energy: -173.360 flat angles C4'-P-C4' energy: -134.715 flat angles P-C4'-P energy: -94.086 tors. eta vs tors. theta energy: -14.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -917.641281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.641281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.641281 (E_RNA) where: Base-Base interactions energy: -379.476 where: short stacking energy: -331.419 Base-Backbone interact. energy: 0.789 local terms energy: -538.954756 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -176.883 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -89.064 tors. eta vs tors. theta energy: 10.418 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: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -833.042549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.042549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.042549 (E_RNA) where: Base-Base interactions energy: -323.363 where: short stacking energy: -272.724 Base-Backbone interact. energy: 1.410 local terms energy: -511.089657 where: bonds (distance) C4'-P energy: -155.563 bonds (distance) P-C4' energy: -159.801 flat angles C4'-P-C4' energy: -129.807 flat angles P-C4'-P energy: -84.587 tors. eta vs tors. theta energy: 18.668 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -790.428519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.428519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.428519 (E_RNA) where: Base-Base interactions energy: -291.861 where: short stacking energy: -252.760 Base-Backbone interact. energy: -4.877 local terms energy: -493.690876 where: bonds (distance) C4'-P energy: -148.225 bonds (distance) P-C4' energy: -155.632 flat angles C4'-P-C4' energy: -145.762 flat angles P-C4'-P energy: -62.601 tors. eta vs tors. theta energy: 18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2588.519329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.519329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.519329 (E_RNA) where: Base-Base interactions energy: -1609.134 where: short stacking energy: -979.281 Base-Backbone interact. energy: -5.623 local terms energy: -973.762254 where: bonds (distance) C4'-P energy: -186.298 bonds (distance) P-C4' energy: -191.592 flat angles C4'-P-C4' energy: -210.547 flat angles P-C4'-P energy: -133.079 tors. eta vs tors. theta energy: -252.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2379.695511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.695511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.695511 (E_RNA) where: Base-Base interactions energy: -1485.425 where: short stacking energy: -887.650 Base-Backbone interact. energy: -0.506 local terms energy: -893.764299 where: bonds (distance) C4'-P energy: -168.572 bonds (distance) P-C4' energy: -188.175 flat angles C4'-P-C4' energy: -193.296 flat angles P-C4'-P energy: -129.002 tors. eta vs tors. theta energy: -214.719 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: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2159.170129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.170129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.170129 (E_RNA) where: Base-Base interactions energy: -1312.244 where: short stacking energy: -802.403 Base-Backbone interact. energy: 1.032 local terms energy: -847.957291 where: bonds (distance) C4'-P energy: -178.996 bonds (distance) P-C4' energy: -175.896 flat angles C4'-P-C4' energy: -182.402 flat angles P-C4'-P energy: -105.916 tors. eta vs tors. theta energy: -204.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1900.025895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.025895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.025895 (E_RNA) where: Base-Base interactions energy: -1138.678 where: short stacking energy: -680.967 Base-Backbone interact. energy: -2.628 local terms energy: -758.720212 where: bonds (distance) C4'-P energy: -162.934 bonds (distance) P-C4' energy: -161.439 flat angles C4'-P-C4' energy: -171.864 flat angles P-C4'-P energy: -125.891 tors. eta vs tors. theta energy: -136.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1616.549229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.549229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.549229 (E_RNA) where: Base-Base interactions energy: -931.160 where: short stacking energy: -586.464 Base-Backbone interact. energy: -2.224 local terms energy: -683.165594 where: bonds (distance) C4'-P energy: -169.360 bonds (distance) P-C4' energy: -157.675 flat angles C4'-P-C4' energy: -150.840 flat angles P-C4'-P energy: -102.291 tors. eta vs tors. theta energy: -103.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1368.263972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.263972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.263972 (E_RNA) where: Base-Base interactions energy: -693.101 where: short stacking energy: -493.575 Base-Backbone interact. energy: -2.499 local terms energy: -672.663881 where: bonds (distance) C4'-P energy: -160.318 bonds (distance) P-C4' energy: -175.513 flat angles C4'-P-C4' energy: -171.040 flat angles P-C4'-P energy: -89.289 tors. eta vs tors. theta energy: -76.503 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: 445 Temperature: 1.200000 Total energy: -1129.586566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.586566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.586566 (E_RNA) where: Base-Base interactions energy: -547.781 where: short stacking energy: -440.950 Base-Backbone interact. energy: -2.332 local terms energy: -579.473762 where: bonds (distance) C4'-P energy: -138.401 bonds (distance) P-C4' energy: -165.900 flat angles C4'-P-C4' energy: -150.509 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -48.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -971.698489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.698489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.698489 (E_RNA) where: Base-Base interactions energy: -403.045 where: short stacking energy: -339.517 Base-Backbone interact. energy: 4.708 local terms energy: -573.362036 where: bonds (distance) C4'-P energy: -145.268 bonds (distance) P-C4' energy: -182.325 flat angles C4'-P-C4' energy: -159.318 flat angles P-C4'-P energy: -80.197 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -842.471338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.471338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.471338 (E_RNA) where: Base-Base interactions energy: -357.847 where: short stacking energy: -318.647 Base-Backbone interact. energy: -1.971 local terms energy: -482.654213 where: bonds (distance) C4'-P energy: -134.316 bonds (distance) P-C4' energy: -153.755 flat angles C4'-P-C4' energy: -132.872 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: 10.055 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: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -783.543036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.543036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.543036 (E_RNA) where: Base-Base interactions energy: -331.585 where: short stacking energy: -281.184 Base-Backbone interact. energy: -3.678 local terms energy: -448.279937 where: bonds (distance) C4'-P energy: -138.949 bonds (distance) P-C4' energy: -132.425 flat angles C4'-P-C4' energy: -119.792 flat angles P-C4'-P energy: -63.710 tors. eta vs tors. theta energy: 6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2584.702980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.702980 (E_RNA) where: Base-Base interactions energy: -1615.900 where: short stacking energy: -953.021 Base-Backbone interact. energy: -2.919 local terms energy: -965.884652 where: bonds (distance) C4'-P energy: -182.531 bonds (distance) P-C4' energy: -170.342 flat angles C4'-P-C4' energy: -214.237 flat angles P-C4'-P energy: -141.632 tors. eta vs tors. theta energy: -257.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2365.633118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.633118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.633118 (E_RNA) where: Base-Base interactions energy: -1491.493 where: short stacking energy: -883.362 Base-Backbone interact. energy: 1.375 local terms energy: -875.515141 where: bonds (distance) C4'-P energy: -176.862 bonds (distance) P-C4' energy: -189.104 flat angles C4'-P-C4' energy: -181.552 flat angles P-C4'-P energy: -118.646 tors. eta vs tors. theta energy: -209.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2140.165040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.165040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.165040 (E_RNA) where: Base-Base interactions energy: -1313.146 where: short stacking energy: -806.401 Base-Backbone interact. energy: -2.921 local terms energy: -824.098834 where: bonds (distance) C4'-P energy: -155.229 bonds (distance) P-C4' energy: -162.663 flat angles C4'-P-C4' energy: -199.724 flat angles P-C4'-P energy: -125.386 tors. eta vs tors. theta energy: -181.096 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: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1886.498915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.498915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.498915 (E_RNA) where: Base-Base interactions energy: -1150.699 where: short stacking energy: -667.135 Base-Backbone interact. energy: 1.744 local terms energy: -737.543345 where: bonds (distance) C4'-P energy: -147.965 bonds (distance) P-C4' energy: -167.344 flat angles C4'-P-C4' energy: -170.279 flat angles P-C4'-P energy: -117.373 tors. eta vs tors. theta energy: -134.582 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: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1688.114738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.114738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.114738 (E_RNA) where: Base-Base interactions energy: -980.154 where: short stacking energy: -612.430 Base-Backbone interact. energy: 0.903 local terms energy: -708.864001 where: bonds (distance) C4'-P energy: -160.243 bonds (distance) P-C4' energy: -166.593 flat angles C4'-P-C4' energy: -155.482 flat angles P-C4'-P energy: -110.055 tors. eta vs tors. theta energy: -116.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1356.910035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.910035 (E_RNA) where: Base-Base interactions energy: -690.795 where: short stacking energy: -494.314 Base-Backbone interact. energy: -2.342 local terms energy: -663.773334 where: bonds (distance) C4'-P energy: -169.121 bonds (distance) P-C4' energy: -164.298 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -118.316 tors. eta vs tors. theta energy: -58.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1125.910150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.910150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.910150 (E_RNA) where: Base-Base interactions energy: -528.349 where: short stacking energy: -397.029 Base-Backbone interact. energy: -1.930 local terms energy: -595.630531 where: bonds (distance) C4'-P energy: -145.228 bonds (distance) P-C4' energy: -162.571 flat angles C4'-P-C4' energy: -163.879 flat angles P-C4'-P energy: -85.266 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: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -932.273116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.273116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.273116 (E_RNA) where: Base-Base interactions energy: -389.652 where: short stacking energy: -307.212 Base-Backbone interact. energy: 0.580 local terms energy: -543.200478 where: bonds (distance) C4'-P energy: -129.366 bonds (distance) P-C4' energy: -153.523 flat angles C4'-P-C4' energy: -155.402 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -12.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -841.495763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.495763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.495763 (E_RNA) where: Base-Base interactions energy: -362.251 where: short stacking energy: -325.016 Base-Backbone interact. energy: -0.920 local terms energy: -478.324448 where: bonds (distance) C4'-P energy: -151.081 bonds (distance) P-C4' energy: -140.712 flat angles C4'-P-C4' energy: -149.781 flat angles P-C4'-P energy: -42.206 tors. eta vs tors. theta energy: 5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -733.113411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.113411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.113411 (E_RNA) where: Base-Base interactions energy: -297.596 where: short stacking energy: -269.652 Base-Backbone interact. energy: 1.682 local terms energy: -437.198826 where: bonds (distance) C4'-P energy: -121.094 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -125.211 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: 35.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2557.238564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.238564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.238564 (E_RNA) where: Base-Base interactions energy: -1602.073 where: short stacking energy: -962.671 Base-Backbone interact. energy: -6.324 local terms energy: -948.841766 where: bonds (distance) C4'-P energy: -182.798 bonds (distance) P-C4' energy: -187.758 flat angles C4'-P-C4' energy: -203.182 flat angles P-C4'-P energy: -128.333 tors. eta vs tors. theta energy: -246.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2343.767320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.767320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.767320 (E_RNA) where: Base-Base interactions energy: -1462.732 where: short stacking energy: -857.761 Base-Backbone interact. energy: 0.361 local terms energy: -881.396165 where: bonds (distance) C4'-P energy: -170.939 bonds (distance) P-C4' energy: -182.908 flat angles C4'-P-C4' energy: -195.883 flat angles P-C4'-P energy: -126.578 tors. eta vs tors. theta energy: -205.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2134.543476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.543476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.543476 (E_RNA) where: Base-Base interactions energy: -1290.661 where: short stacking energy: -799.454 Base-Backbone interact. energy: -5.107 local terms energy: -838.775519 where: bonds (distance) C4'-P energy: -175.468 bonds (distance) P-C4' energy: -175.027 flat angles C4'-P-C4' energy: -182.945 flat angles P-C4'-P energy: -119.590 tors. eta vs tors. theta energy: -185.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1873.503558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.503558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.503558 (E_RNA) where: Base-Base interactions energy: -1115.190 where: short stacking energy: -637.364 Base-Backbone interact. energy: -3.123 local terms energy: -755.190411 where: bonds (distance) C4'-P energy: -161.955 bonds (distance) P-C4' energy: -178.379 flat angles C4'-P-C4' energy: -166.002 flat angles P-C4'-P energy: -132.003 tors. eta vs tors. theta energy: -116.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1635.489763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.489763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.489763 (E_RNA) where: Base-Base interactions energy: -942.383 where: short stacking energy: -579.559 Base-Backbone interact. energy: -3.202 local terms energy: -689.904856 where: bonds (distance) C4'-P energy: -147.933 bonds (distance) P-C4' energy: -164.797 flat angles C4'-P-C4' energy: -171.572 flat angles P-C4'-P energy: -103.324 tors. eta vs tors. theta energy: -102.280 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: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1370.485889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.485889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.485889 (E_RNA) where: Base-Base interactions energy: -749.393 where: short stacking energy: -542.281 Base-Backbone interact. energy: 1.913 local terms energy: -623.005735 where: bonds (distance) C4'-P energy: -134.822 bonds (distance) P-C4' energy: -152.311 flat angles C4'-P-C4' energy: -154.115 flat angles P-C4'-P energy: -101.422 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: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1075.274862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.274862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.274862 (E_RNA) where: Base-Base interactions energy: -473.524 where: short stacking energy: -378.311 Base-Backbone interact. energy: 3.081 local terms energy: -604.831089 where: bonds (distance) C4'-P energy: -144.731 bonds (distance) P-C4' energy: -162.724 flat angles C4'-P-C4' energy: -163.359 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -51.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -984.106657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.106657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.106657 (E_RNA) where: Base-Base interactions energy: -446.060 where: short stacking energy: -359.018 Base-Backbone interact. energy: 3.680 local terms energy: -541.726198 where: bonds (distance) C4'-P energy: -150.164 bonds (distance) P-C4' energy: -139.058 flat angles C4'-P-C4' energy: -142.456 flat angles P-C4'-P energy: -94.101 tors. eta vs tors. theta energy: -15.948 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: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -812.405933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.405933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.405933 (E_RNA) where: Base-Base interactions energy: -328.769 where: short stacking energy: -295.461 Base-Backbone interact. energy: -1.854 local terms energy: -481.782858 where: bonds (distance) C4'-P energy: -165.763 bonds (distance) P-C4' energy: -133.900 flat angles C4'-P-C4' energy: -120.195 flat angles P-C4'-P energy: -81.678 tors. eta vs tors. theta energy: 19.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -732.733328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.733328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.733328 (E_RNA) where: Base-Base interactions energy: -291.422 where: short stacking energy: -259.209 Base-Backbone interact. energy: 0.464 local terms energy: -441.775183 where: bonds (distance) C4'-P energy: -133.659 bonds (distance) P-C4' energy: -144.532 flat angles C4'-P-C4' energy: -122.248 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: 25.317 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: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2586.523830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.523830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.523830 (E_RNA) where: Base-Base interactions energy: -1616.058 where: short stacking energy: -998.380 Base-Backbone interact. energy: -8.821 local terms energy: -961.644197 where: bonds (distance) C4'-P energy: -179.939 bonds (distance) P-C4' energy: -179.165 flat angles C4'-P-C4' energy: -209.205 flat angles P-C4'-P energy: -133.198 tors. eta vs tors. theta energy: -260.137 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: 2, replica: 7 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2408.066641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.066641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.066641 (E_RNA) where: Base-Base interactions energy: -1553.674 where: short stacking energy: -899.003 Base-Backbone interact. energy: -2.546 local terms energy: -851.846574 where: bonds (distance) C4'-P energy: -161.648 bonds (distance) P-C4' energy: -151.705 flat angles C4'-P-C4' energy: -198.430 flat angles P-C4'-P energy: -118.817 tors. eta vs tors. theta energy: -221.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2174.793211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.793211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.793211 (E_RNA) where: Base-Base interactions energy: -1340.036 where: short stacking energy: -834.770 Base-Backbone interact. energy: -2.444 local terms energy: -832.312709 where: bonds (distance) C4'-P energy: -159.722 bonds (distance) P-C4' energy: -179.150 flat angles C4'-P-C4' energy: -183.701 flat angles P-C4'-P energy: -119.998 tors. eta vs tors. theta energy: -189.742 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: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1884.175679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.175679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.175679 (E_RNA) where: Base-Base interactions energy: -1144.266 where: short stacking energy: -690.446 Base-Backbone interact. energy: -2.774 local terms energy: -737.135886 where: bonds (distance) C4'-P energy: -163.264 bonds (distance) P-C4' energy: -162.579 flat angles C4'-P-C4' energy: -178.167 flat angles P-C4'-P energy: -102.406 tors. eta vs tors. theta energy: -130.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1632.953130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.953130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.953130 (E_RNA) where: Base-Base interactions energy: -904.695 where: short stacking energy: -578.536 Base-Backbone interact. energy: 0.149 local terms energy: -728.406584 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -182.771 flat angles C4'-P-C4' energy: -187.362 flat angles P-C4'-P energy: -109.311 tors. eta vs tors. theta energy: -94.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1328.048668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.048668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.048668 (E_RNA) where: Base-Base interactions energy: -689.188 where: short stacking energy: -479.161 Base-Backbone interact. energy: -2.358 local terms energy: -636.502042 where: bonds (distance) C4'-P energy: -161.408 bonds (distance) P-C4' energy: -153.691 flat angles C4'-P-C4' energy: -151.749 flat angles P-C4'-P energy: -99.504 tors. eta vs tors. theta energy: -70.150 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: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1127.437656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.437656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.437656 (E_RNA) where: Base-Base interactions energy: -532.250 where: short stacking energy: -435.326 Base-Backbone interact. energy: 1.111 local terms energy: -596.299471 where: bonds (distance) C4'-P energy: -140.144 bonds (distance) P-C4' energy: -173.681 flat angles C4'-P-C4' energy: -138.019 flat angles P-C4'-P energy: -111.534 tors. eta vs tors. theta energy: -32.922 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: 448 Temperature: 1.250000 Total energy: -937.121841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.121841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.121841 (E_RNA) where: Base-Base interactions energy: -413.301 where: short stacking energy: -359.422 Base-Backbone interact. energy: -1.212 local terms energy: -522.608893 where: bonds (distance) C4'-P energy: -125.549 bonds (distance) P-C4' energy: -145.356 flat angles C4'-P-C4' energy: -145.883 flat angles P-C4'-P energy: -76.106 tors. eta vs tors. theta energy: -29.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -820.610841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.610841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.610841 (E_RNA) where: Base-Base interactions energy: -362.595 where: short stacking energy: -324.704 Base-Backbone interact. energy: -2.787 local terms energy: -455.228604 where: bonds (distance) C4'-P energy: -141.355 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -114.053 flat angles P-C4'-P energy: -75.105 tors. eta vs tors. theta energy: 27.846 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: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -775.809782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.809782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.809782 (E_RNA) where: Base-Base interactions energy: -296.688 where: short stacking energy: -267.467 Base-Backbone interact. energy: -5.967 local terms energy: -473.155287 where: bonds (distance) C4'-P energy: -142.706 bonds (distance) P-C4' energy: -146.126 flat angles C4'-P-C4' energy: -132.304 flat angles P-C4'-P energy: -80.999 tors. eta vs tors. theta energy: 28.979 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: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2582.248807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.248807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.248807 (E_RNA) where: Base-Base interactions energy: -1607.485 where: short stacking energy: -972.398 Base-Backbone interact. energy: -9.059 local terms energy: -965.704797 where: bonds (distance) C4'-P energy: -176.235 bonds (distance) P-C4' energy: -192.852 flat angles C4'-P-C4' energy: -214.368 flat angles P-C4'-P energy: -131.315 tors. eta vs tors. theta energy: -250.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2417.564051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.564051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.564051 (E_RNA) where: Base-Base interactions energy: -1518.129 where: short stacking energy: -924.046 Base-Backbone interact. energy: -4.764 local terms energy: -894.671434 where: bonds (distance) C4'-P energy: -161.139 bonds (distance) P-C4' energy: -185.966 flat angles C4'-P-C4' energy: -185.414 flat angles P-C4'-P energy: -129.230 tors. eta vs tors. theta energy: -232.922 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: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2188.652986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.652986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.652986 (E_RNA) where: Base-Base interactions energy: -1353.017 where: short stacking energy: -840.789 Base-Backbone interact. energy: -4.919 local terms energy: -830.717609 where: bonds (distance) C4'-P energy: -156.557 bonds (distance) P-C4' energy: -176.759 flat angles C4'-P-C4' energy: -181.722 flat angles P-C4'-P energy: -122.232 tors. eta vs tors. theta energy: -193.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1870.807203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.807203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.807203 (E_RNA) where: Base-Base interactions energy: -1095.286 where: short stacking energy: -660.175 Base-Backbone interact. energy: -1.845 local terms energy: -773.675621 where: bonds (distance) C4'-P energy: -168.475 bonds (distance) P-C4' energy: -167.138 flat angles C4'-P-C4' energy: -188.262 flat angles P-C4'-P energy: -120.163 tors. eta vs tors. theta energy: -129.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1679.539594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.539594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.539594 (E_RNA) where: Base-Base interactions energy: -980.406 where: short stacking energy: -602.727 Base-Backbone interact. energy: 0.256 local terms energy: -699.389489 where: bonds (distance) C4'-P energy: -174.351 bonds (distance) P-C4' energy: -151.715 flat angles C4'-P-C4' energy: -149.817 flat angles P-C4'-P energy: -103.285 tors. eta vs tors. theta energy: -120.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1374.000126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.000126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.000126 (E_RNA) where: Base-Base interactions energy: -744.012 where: short stacking energy: -509.044 Base-Backbone interact. energy: -0.895 local terms energy: -629.093566 where: bonds (distance) C4'-P energy: -158.673 bonds (distance) P-C4' energy: -151.800 flat angles C4'-P-C4' energy: -149.460 flat angles P-C4'-P energy: -105.045 tors. eta vs tors. theta energy: -64.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1081.968582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.968582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.968582 (E_RNA) where: Base-Base interactions energy: -500.871 where: short stacking energy: -395.859 Base-Backbone interact. energy: 5.475 local terms energy: -586.572268 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -162.764 flat angles C4'-P-C4' energy: -143.842 flat angles P-C4'-P energy: -98.503 tors. eta vs tors. theta energy: -30.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -949.198850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.198850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.198850 (E_RNA) where: Base-Base interactions energy: -422.030 where: short stacking energy: -330.146 Base-Backbone interact. energy: 0.835 local terms energy: -528.003735 where: bonds (distance) C4'-P energy: -128.097 bonds (distance) P-C4' energy: -161.937 flat angles C4'-P-C4' energy: -133.986 flat angles P-C4'-P energy: -98.336 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -846.446482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.446482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.446482 (E_RNA) where: Base-Base interactions energy: -330.914 where: short stacking energy: -257.613 Base-Backbone interact. energy: 4.140 local terms energy: -519.671915 where: bonds (distance) C4'-P energy: -147.421 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -143.253 flat angles P-C4'-P energy: -81.698 tors. eta vs tors. theta energy: 2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -774.278134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.278134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.278134 (E_RNA) where: Base-Base interactions energy: -310.016 where: short stacking energy: -292.446 Base-Backbone interact. energy: 7.871 local terms energy: -472.132805 where: bonds (distance) C4'-P energy: -146.699 bonds (distance) P-C4' energy: -159.445 flat angles C4'-P-C4' energy: -114.866 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: 14.839 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: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2593.133967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.133967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.133967 (E_RNA) where: Base-Base interactions energy: -1611.309 where: short stacking energy: -997.751 Base-Backbone interact. energy: -4.907 local terms energy: -976.917696 where: bonds (distance) C4'-P energy: -162.478 bonds (distance) P-C4' energy: -189.247 flat angles C4'-P-C4' energy: -208.714 flat angles P-C4'-P energy: -147.743 tors. eta vs tors. theta energy: -268.737 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: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2410.867189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.867189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.867189 (E_RNA) where: Base-Base interactions energy: -1506.467 where: short stacking energy: -909.583 Base-Backbone interact. energy: -3.465 local terms energy: -900.935427 where: bonds (distance) C4'-P energy: -162.995 bonds (distance) P-C4' energy: -183.229 flat angles C4'-P-C4' energy: -203.615 flat angles P-C4'-P energy: -125.476 tors. eta vs tors. theta energy: -225.621 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: 4 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2102.118148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.118148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.118148 (E_RNA) where: Base-Base interactions energy: -1291.342 where: short stacking energy: -804.580 Base-Backbone interact. energy: 3.171 local terms energy: -813.946917 where: bonds (distance) C4'-P energy: -154.639 bonds (distance) P-C4' energy: -168.257 flat angles C4'-P-C4' energy: -194.641 flat angles P-C4'-P energy: -115.563 tors. eta vs tors. theta energy: -180.846 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: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1885.951028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.951028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.951028 (E_RNA) where: Base-Base interactions energy: -1140.897 where: short stacking energy: -689.278 Base-Backbone interact. energy: 0.805 local terms energy: -745.858579 where: bonds (distance) C4'-P energy: -158.948 bonds (distance) P-C4' energy: -176.699 flat angles C4'-P-C4' energy: -178.566 flat angles P-C4'-P energy: -95.685 tors. eta vs tors. theta energy: -135.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1750.077025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.077025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.077025 (E_RNA) where: Base-Base interactions energy: -1036.062 where: short stacking energy: -665.477 Base-Backbone interact. energy: 2.929 local terms energy: -716.944432 where: bonds (distance) C4'-P energy: -152.549 bonds (distance) P-C4' energy: -178.776 flat angles C4'-P-C4' energy: -152.390 flat angles P-C4'-P energy: -103.717 tors. eta vs tors. theta energy: -129.512 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: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1315.793011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.793011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.793011 (E_RNA) where: Base-Base interactions energy: -682.926 where: short stacking energy: -476.057 Base-Backbone interact. energy: -4.512 local terms energy: -628.355308 where: bonds (distance) C4'-P energy: -147.507 bonds (distance) P-C4' energy: -183.804 flat angles C4'-P-C4' energy: -149.421 flat angles P-C4'-P energy: -97.380 tors. eta vs tors. theta energy: -50.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1082.697752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.697752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.697752 (E_RNA) where: Base-Base interactions energy: -476.840 where: short stacking energy: -402.778 Base-Backbone interact. energy: -2.750 local terms energy: -603.107535 where: bonds (distance) C4'-P energy: -143.837 bonds (distance) P-C4' energy: -176.925 flat angles C4'-P-C4' energy: -159.467 flat angles P-C4'-P energy: -79.857 tors. eta vs tors. theta energy: -43.022 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: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -903.246286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.246286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.246286 (E_RNA) where: Base-Base interactions energy: -366.272 where: short stacking energy: -330.002 Base-Backbone interact. energy: 3.620 local terms energy: -540.594592 where: bonds (distance) C4'-P energy: -143.117 bonds (distance) P-C4' energy: -191.152 flat angles C4'-P-C4' energy: -131.018 flat angles P-C4'-P energy: -74.365 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -854.734277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.734277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.734277 (E_RNA) where: Base-Base interactions energy: -382.189 where: short stacking energy: -322.504 Base-Backbone interact. energy: 3.986 local terms energy: -476.531079 where: bonds (distance) C4'-P energy: -158.441 bonds (distance) P-C4' energy: -134.494 flat angles C4'-P-C4' energy: -142.018 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: 16.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -734.886619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.886619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.886619 (E_RNA) where: Base-Base interactions energy: -294.211 where: short stacking energy: -249.672 Base-Backbone interact. energy: 0.682 local terms energy: -441.357279 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -163.693 flat angles C4'-P-C4' energy: -128.133 flat angles P-C4'-P energy: -44.108 tors. eta vs tors. theta energy: 6.395 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: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2603.423283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.423283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.423283 (E_RNA) where: Base-Base interactions energy: -1649.058 where: short stacking energy: -977.574 Base-Backbone interact. energy: -4.429 local terms energy: -949.936789 where: bonds (distance) C4'-P energy: -166.328 bonds (distance) P-C4' energy: -180.552 flat angles C4'-P-C4' energy: -196.768 flat angles P-C4'-P energy: -145.923 tors. eta vs tors. theta energy: -260.365 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: 7 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2389.394899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.394899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.394899 (E_RNA) where: Base-Base interactions energy: -1470.477 where: short stacking energy: -894.959 Base-Backbone interact. energy: 0.614 local terms energy: -919.532464 where: bonds (distance) C4'-P energy: -176.468 bonds (distance) P-C4' energy: -191.870 flat angles C4'-P-C4' energy: -202.473 flat angles P-C4'-P energy: -137.624 tors. eta vs tors. theta energy: -211.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2184.483610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.483610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.483610 (E_RNA) where: Base-Base interactions energy: -1350.659 where: short stacking energy: -848.137 Base-Backbone interact. energy: -5.162 local terms energy: -828.661817 where: bonds (distance) C4'-P energy: -142.118 bonds (distance) P-C4' energy: -178.033 flat angles C4'-P-C4' energy: -191.618 flat angles P-C4'-P energy: -116.287 tors. eta vs tors. theta energy: -200.606 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: 451 Temperature: 1.050000 Total energy: -1810.505415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.505415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.505415 (E_RNA) where: Base-Base interactions energy: -1073.604 where: short stacking energy: -647.002 Base-Backbone interact. energy: -2.670 local terms energy: -734.230936 where: bonds (distance) C4'-P energy: -146.760 bonds (distance) P-C4' energy: -177.183 flat angles C4'-P-C4' energy: -154.141 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -154.362 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: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1708.331659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.331659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.331659 (E_RNA) where: Base-Base interactions energy: -976.313 where: short stacking energy: -574.920 Base-Backbone interact. energy: -2.529 local terms energy: -729.489338 where: bonds (distance) C4'-P energy: -168.753 bonds (distance) P-C4' energy: -156.871 flat angles C4'-P-C4' energy: -173.110 flat angles P-C4'-P energy: -113.599 tors. eta vs tors. theta energy: -117.156 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: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1296.400623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.400623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.400623 (E_RNA) where: Base-Base interactions energy: -667.387 where: short stacking energy: -460.571 Base-Backbone interact. energy: -3.398 local terms energy: -625.615728 where: bonds (distance) C4'-P energy: -157.725 bonds (distance) P-C4' energy: -155.742 flat angles C4'-P-C4' energy: -140.404 flat angles P-C4'-P energy: -103.181 tors. eta vs tors. theta energy: -68.563 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: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1088.023506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.023506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.023506 (E_RNA) where: Base-Base interactions energy: -513.297 where: short stacking energy: -415.456 Base-Backbone interact. energy: 2.610 local terms energy: -577.336701 where: bonds (distance) C4'-P energy: -143.621 bonds (distance) P-C4' energy: -151.855 flat angles C4'-P-C4' energy: -153.243 flat angles P-C4'-P energy: -86.678 tors. eta vs tors. theta energy: -41.940 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: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1022.577751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.577751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.577751 (E_RNA) where: Base-Base interactions energy: -445.497 where: short stacking energy: -353.897 Base-Backbone interact. energy: -1.281 local terms energy: -575.799770 where: bonds (distance) C4'-P energy: -156.994 bonds (distance) P-C4' energy: -167.281 flat angles C4'-P-C4' energy: -160.960 flat angles P-C4'-P energy: -72.654 tors. eta vs tors. theta energy: -17.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -893.772794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.772794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.772794 (E_RNA) where: Base-Base interactions energy: -365.009 where: short stacking energy: -328.805 Base-Backbone interact. energy: 4.666 local terms energy: -533.429755 where: bonds (distance) C4'-P energy: -137.066 bonds (distance) P-C4' energy: -151.714 flat angles C4'-P-C4' energy: -141.944 flat angles P-C4'-P energy: -102.448 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -742.595035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.595035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.595035 (E_RNA) where: Base-Base interactions energy: -291.991 where: short stacking energy: -266.927 Base-Backbone interact. energy: 12.170 local terms energy: -462.773565 where: bonds (distance) C4'-P energy: -139.616 bonds (distance) P-C4' energy: -152.785 flat angles C4'-P-C4' energy: -125.619 flat angles P-C4'-P energy: -66.051 tors. eta vs tors. theta energy: 21.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2585.417784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.417784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.417784 (E_RNA) where: Base-Base interactions energy: -1634.625 where: short stacking energy: -982.488 Base-Backbone interact. energy: -5.137 local terms energy: -945.655754 where: bonds (distance) C4'-P energy: -177.839 bonds (distance) P-C4' energy: -185.428 flat angles C4'-P-C4' energy: -211.037 flat angles P-C4'-P energy: -116.478 tors. eta vs tors. theta energy: -254.874 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: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2370.148058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.148058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.148058 (E_RNA) where: Base-Base interactions energy: -1498.924 where: short stacking energy: -899.535 Base-Backbone interact. energy: -1.197 local terms energy: -870.026937 where: bonds (distance) C4'-P energy: -155.067 bonds (distance) P-C4' energy: -181.649 flat angles C4'-P-C4' energy: -200.997 flat angles P-C4'-P energy: -116.280 tors. eta vs tors. theta energy: -216.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2233.407272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.407272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.407272 (E_RNA) where: Base-Base interactions energy: -1386.861 where: short stacking energy: -823.255 Base-Backbone interact. energy: -3.356 local terms energy: -843.190454 where: bonds (distance) C4'-P energy: -170.887 bonds (distance) P-C4' energy: -170.818 flat angles C4'-P-C4' energy: -185.470 flat angles P-C4'-P energy: -132.481 tors. eta vs tors. theta energy: -183.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1805.146456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.146456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.146456 (E_RNA) where: Base-Base interactions energy: -1038.611 where: short stacking energy: -644.994 Base-Backbone interact. energy: -3.506 local terms energy: -763.030154 where: bonds (distance) C4'-P energy: -167.112 bonds (distance) P-C4' energy: -183.524 flat angles C4'-P-C4' energy: -184.719 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -116.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1757.575938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.575938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.575938 (E_RNA) where: Base-Base interactions energy: -1054.826 where: short stacking energy: -654.348 Base-Backbone interact. energy: -0.799 local terms energy: -701.950593 where: bonds (distance) C4'-P energy: -165.426 bonds (distance) P-C4' energy: -149.293 flat angles C4'-P-C4' energy: -156.855 flat angles P-C4'-P energy: -101.180 tors. eta vs tors. theta energy: -129.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1359.315359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.315359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.315359 (E_RNA) where: Base-Base interactions energy: -687.547 where: short stacking energy: -491.171 Base-Backbone interact. energy: 5.674 local terms energy: -677.442963 where: bonds (distance) C4'-P energy: -162.372 bonds (distance) P-C4' energy: -173.413 flat angles C4'-P-C4' energy: -167.878 flat angles P-C4'-P energy: -113.898 tors. eta vs tors. theta energy: -59.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1114.741590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.741590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.741590 (E_RNA) where: Base-Base interactions energy: -534.693 where: short stacking energy: -423.662 Base-Backbone interact. energy: 3.013 local terms energy: -583.060984 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -158.427 flat angles C4'-P-C4' energy: -142.933 flat angles P-C4'-P energy: -95.324 tors. eta vs tors. theta energy: -37.514 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: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -964.252055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.252055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.252055 (E_RNA) where: Base-Base interactions energy: -435.112 where: short stacking energy: -359.009 Base-Backbone interact. energy: 2.433 local terms energy: -531.572302 where: bonds (distance) C4'-P energy: -140.555 bonds (distance) P-C4' energy: -148.555 flat angles C4'-P-C4' energy: -153.890 flat angles P-C4'-P energy: -74.166 tors. eta vs tors. theta energy: -14.407 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: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -841.456877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.456877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.456877 (E_RNA) where: Base-Base interactions energy: -354.131 where: short stacking energy: -306.003 Base-Backbone interact. energy: -0.982 local terms energy: -486.344380 where: bonds (distance) C4'-P energy: -124.629 bonds (distance) P-C4' energy: -172.868 flat angles C4'-P-C4' energy: -132.470 flat angles P-C4'-P energy: -69.788 tors. eta vs tors. theta energy: 13.411 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: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -752.314450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.314450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.314450 (E_RNA) where: Base-Base interactions energy: -254.377 where: short stacking energy: -232.780 Base-Backbone interact. energy: -3.496 local terms energy: -494.440595 where: bonds (distance) C4'-P energy: -156.644 bonds (distance) P-C4' energy: -154.853 flat angles C4'-P-C4' energy: -123.027 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: 13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2534.404376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.404376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.404376 (E_RNA) where: Base-Base interactions energy: -1569.872 where: short stacking energy: -925.111 Base-Backbone interact. energy: -4.431 local terms energy: -960.101871 where: bonds (distance) C4'-P energy: -180.244 bonds (distance) P-C4' energy: -192.376 flat angles C4'-P-C4' energy: -215.727 flat angles P-C4'-P energy: -135.955 tors. eta vs tors. theta energy: -235.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2328.921072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.921072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.921072 (E_RNA) where: Base-Base interactions energy: -1429.275 where: short stacking energy: -854.027 Base-Backbone interact. energy: 0.179 local terms energy: -899.825586 where: bonds (distance) C4'-P energy: -179.162 bonds (distance) P-C4' energy: -185.814 flat angles C4'-P-C4' energy: -203.296 flat angles P-C4'-P energy: -124.412 tors. eta vs tors. theta energy: -207.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2225.876789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.876789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.876789 (E_RNA) where: Base-Base interactions energy: -1365.223 where: short stacking energy: -791.036 Base-Backbone interact. energy: -3.243 local terms energy: -857.411221 where: bonds (distance) C4'-P energy: -175.272 bonds (distance) P-C4' energy: -176.203 flat angles C4'-P-C4' energy: -181.724 flat angles P-C4'-P energy: -127.158 tors. eta vs tors. theta energy: -197.054 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: 4, replica: 6 ===================================== Write number: 453 Temperature: 1.050000 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: -1097.757 where: short stacking energy: -678.886 Base-Backbone interact. energy: -3.266 local terms energy: -743.322995 where: bonds (distance) C4'-P energy: -177.096 bonds (distance) P-C4' energy: -170.740 flat angles C4'-P-C4' energy: -183.697 flat angles P-C4'-P energy: -95.314 tors. eta vs tors. theta energy: -116.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1660.779166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.779166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.779166 (E_RNA) where: Base-Base interactions energy: -947.084 where: short stacking energy: -617.215 Base-Backbone interact. energy: -1.556 local terms energy: -712.139454 where: bonds (distance) C4'-P energy: -160.648 bonds (distance) P-C4' energy: -163.607 flat angles C4'-P-C4' energy: -157.851 flat angles P-C4'-P energy: -113.634 tors. eta vs tors. theta energy: -116.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1322.116345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.116345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.116345 (E_RNA) where: Base-Base interactions energy: -704.578 where: short stacking energy: -504.158 Base-Backbone interact. energy: 2.006 local terms energy: -619.544878 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -167.162 flat angles C4'-P-C4' energy: -179.300 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -77.397 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: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1163.306602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.306602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.306602 (E_RNA) where: Base-Base interactions energy: -586.692 where: short stacking energy: -405.781 Base-Backbone interact. energy: 0.092 local terms energy: -576.705661 where: bonds (distance) C4'-P energy: -157.660 bonds (distance) P-C4' energy: -132.889 flat angles C4'-P-C4' energy: -163.482 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -37.960 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: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -970.599235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.599235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.599235 (E_RNA) where: Base-Base interactions energy: -440.120 where: short stacking energy: -364.657 Base-Backbone interact. energy: -2.392 local terms energy: -528.086963 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -136.210 flat angles C4'-P-C4' energy: -153.305 flat angles P-C4'-P energy: -89.540 tors. eta vs tors. theta energy: -14.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -844.644229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.644229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.644229 (E_RNA) where: Base-Base interactions energy: -367.945 where: short stacking energy: -327.502 Base-Backbone interact. energy: 6.286 local terms energy: -482.985183 where: bonds (distance) C4'-P energy: -131.517 bonds (distance) P-C4' energy: -127.172 flat angles C4'-P-C4' energy: -149.477 flat angles P-C4'-P energy: -91.183 tors. eta vs tors. theta energy: 16.363 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: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -783.032072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.032072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.032072 (E_RNA) where: Base-Base interactions energy: -284.197 where: short stacking energy: -253.170 Base-Backbone interact. energy: 2.662 local terms energy: -501.497572 where: bonds (distance) C4'-P energy: -127.300 bonds (distance) P-C4' energy: -167.013 flat angles C4'-P-C4' energy: -148.056 flat angles P-C4'-P energy: -87.040 tors. eta vs tors. theta energy: 27.911 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: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2571.561949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.561949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.561949 (E_RNA) where: Base-Base interactions energy: -1617.194 where: short stacking energy: -985.397 Base-Backbone interact. energy: -1.263 local terms energy: -953.105552 where: bonds (distance) C4'-P energy: -181.326 bonds (distance) P-C4' energy: -180.976 flat angles C4'-P-C4' energy: -210.711 flat angles P-C4'-P energy: -136.955 tors. eta vs tors. theta energy: -243.137 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: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2351.630662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.630662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.630662 (E_RNA) where: Base-Base interactions energy: -1425.363 where: short stacking energy: -889.658 Base-Backbone interact. energy: -2.264 local terms energy: -924.003274 where: bonds (distance) C4'-P energy: -179.936 bonds (distance) P-C4' energy: -187.265 flat angles C4'-P-C4' energy: -205.269 flat angles P-C4'-P energy: -125.256 tors. eta vs tors. theta energy: -226.277 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: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2259.779425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.779425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.779425 (E_RNA) where: Base-Base interactions energy: -1399.583 where: short stacking energy: -851.008 Base-Backbone interact. energy: -2.226 local terms energy: -857.971027 where: bonds (distance) C4'-P energy: -181.915 bonds (distance) P-C4' energy: -161.879 flat angles C4'-P-C4' energy: -194.918 flat angles P-C4'-P energy: -128.352 tors. eta vs tors. theta energy: -190.907 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: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1861.927595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.927595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.927595 (E_RNA) where: Base-Base interactions energy: -1113.923 where: short stacking energy: -685.839 Base-Backbone interact. energy: -2.840 local terms energy: -745.165096 where: bonds (distance) C4'-P energy: -150.377 bonds (distance) P-C4' energy: -178.955 flat angles C4'-P-C4' energy: -176.844 flat angles P-C4'-P energy: -109.493 tors. eta vs tors. theta energy: -129.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1677.085997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.085997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.085997 (E_RNA) where: Base-Base interactions energy: -962.091 where: short stacking energy: -613.534 Base-Backbone interact. energy: -0.065 local terms energy: -714.929232 where: bonds (distance) C4'-P energy: -151.253 bonds (distance) P-C4' energy: -154.090 flat angles C4'-P-C4' energy: -186.176 flat angles P-C4'-P energy: -97.675 tors. eta vs tors. theta energy: -125.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1405.230330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.230330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.230330 (E_RNA) where: Base-Base interactions energy: -749.507 where: short stacking energy: -503.471 Base-Backbone interact. energy: 0.894 local terms energy: -656.616885 where: bonds (distance) C4'-P energy: -153.303 bonds (distance) P-C4' energy: -142.917 flat angles C4'-P-C4' energy: -175.493 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -84.186 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: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1098.647944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.647944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.647944 (E_RNA) where: Base-Base interactions energy: -486.013 where: short stacking energy: -343.215 Base-Backbone interact. energy: -3.178 local terms energy: -609.457764 where: bonds (distance) C4'-P energy: -155.971 bonds (distance) P-C4' energy: -181.610 flat angles C4'-P-C4' energy: -150.532 flat angles P-C4'-P energy: -99.911 tors. eta vs tors. theta energy: -21.435 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: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -968.701236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.701236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.701236 (E_RNA) where: Base-Base interactions energy: -411.896 where: short stacking energy: -341.020 Base-Backbone interact. energy: -1.469 local terms energy: -555.336475 where: bonds (distance) C4'-P energy: -150.184 bonds (distance) P-C4' energy: -163.244 flat angles C4'-P-C4' energy: -117.602 flat angles P-C4'-P energy: -103.370 tors. eta vs tors. theta energy: -20.937 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: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -834.527332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.527332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.527332 (E_RNA) where: Base-Base interactions energy: -314.316 where: short stacking energy: -299.819 Base-Backbone interact. energy: 3.262 local terms energy: -523.472483 where: bonds (distance) C4'-P energy: -146.487 bonds (distance) P-C4' energy: -164.617 flat angles C4'-P-C4' energy: -133.578 flat angles P-C4'-P energy: -85.509 tors. eta vs tors. theta energy: 6.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -753.788984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.788984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.788984 (E_RNA) where: Base-Base interactions energy: -326.624 where: short stacking energy: -264.042 Base-Backbone interact. energy: 4.423 local terms energy: -431.588460 where: bonds (distance) C4'-P energy: -140.740 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -119.738 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: 26.377 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: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2563.336688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.336688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.336688 (E_RNA) where: Base-Base interactions energy: -1586.336 where: short stacking energy: -943.651 Base-Backbone interact. energy: 0.223 local terms energy: -977.223663 where: bonds (distance) C4'-P energy: -186.496 bonds (distance) P-C4' energy: -197.573 flat angles C4'-P-C4' energy: -208.612 flat angles P-C4'-P energy: -146.547 tors. eta vs tors. theta energy: -237.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2379.215010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.215010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.215010 (E_RNA) where: Base-Base interactions energy: -1450.897 where: short stacking energy: -877.785 Base-Backbone interact. energy: -0.723 local terms energy: -927.594443 where: bonds (distance) C4'-P energy: -169.487 bonds (distance) P-C4' energy: -202.949 flat angles C4'-P-C4' energy: -199.770 flat angles P-C4'-P energy: -131.622 tors. eta vs tors. theta energy: -223.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2232.598984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.598984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.598984 (E_RNA) where: Base-Base interactions energy: -1359.230 where: short stacking energy: -839.209 Base-Backbone interact. energy: -0.739 local terms energy: -872.630199 where: bonds (distance) C4'-P energy: -164.185 bonds (distance) P-C4' energy: -174.863 flat angles C4'-P-C4' energy: -199.101 flat angles P-C4'-P energy: -115.395 tors. eta vs tors. theta energy: -219.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1856.741650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.741650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.741650 (E_RNA) where: Base-Base interactions energy: -1079.739 where: short stacking energy: -654.128 Base-Backbone interact. energy: -0.539 local terms energy: -776.464021 where: bonds (distance) C4'-P energy: -151.206 bonds (distance) P-C4' energy: -175.408 flat angles C4'-P-C4' energy: -183.178 flat angles P-C4'-P energy: -126.244 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: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1592.607642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.607642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.607642 (E_RNA) where: Base-Base interactions energy: -887.672 where: short stacking energy: -548.884 Base-Backbone interact. energy: -0.274 local terms energy: -704.661679 where: bonds (distance) C4'-P energy: -165.149 bonds (distance) P-C4' energy: -159.629 flat angles C4'-P-C4' energy: -176.179 flat angles P-C4'-P energy: -124.870 tors. eta vs tors. theta energy: -78.835 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: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1380.645117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.645117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.645117 (E_RNA) where: Base-Base interactions energy: -765.726 where: short stacking energy: -525.669 Base-Backbone interact. energy: -4.360 local terms energy: -610.559067 where: bonds (distance) C4'-P energy: -154.407 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -162.403 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -81.671 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: 8 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1104.458506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.458506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.458506 (E_RNA) where: Base-Base interactions energy: -540.887 where: short stacking energy: -426.232 Base-Backbone interact. energy: -0.875 local terms energy: -562.696298 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -143.002 flat angles C4'-P-C4' energy: -167.099 flat angles P-C4'-P energy: -73.433 tors. eta vs tors. theta energy: -39.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -977.020200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.020200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.020200 (E_RNA) where: Base-Base interactions energy: -410.698 where: short stacking energy: -358.577 Base-Backbone interact. energy: -2.672 local terms energy: -563.649618 where: bonds (distance) C4'-P energy: -155.022 bonds (distance) P-C4' energy: -176.598 flat angles C4'-P-C4' energy: -141.105 flat angles P-C4'-P energy: -91.066 tors. eta vs tors. theta energy: 0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -835.035587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.035587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.035587 (E_RNA) where: Base-Base interactions energy: -336.446 where: short stacking energy: -300.469 Base-Backbone interact. energy: 1.362 local terms energy: -499.951731 where: bonds (distance) C4'-P energy: -138.027 bonds (distance) P-C4' energy: -157.584 flat angles C4'-P-C4' energy: -141.796 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: 7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -761.560639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.560639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.560639 (E_RNA) where: Base-Base interactions energy: -306.449 where: short stacking energy: -242.727 Base-Backbone interact. energy: 15.318 local terms energy: -470.429539 where: bonds (distance) C4'-P energy: -126.428 bonds (distance) P-C4' energy: -174.134 flat angles C4'-P-C4' energy: -109.558 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: 13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2533.428779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.428779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.428779 (E_RNA) where: Base-Base interactions energy: -1597.670 where: short stacking energy: -988.503 Base-Backbone interact. energy: -3.820 local terms energy: -931.938663 where: bonds (distance) C4'-P energy: -162.973 bonds (distance) P-C4' energy: -187.643 flat angles C4'-P-C4' energy: -201.213 flat angles P-C4'-P energy: -139.803 tors. eta vs tors. theta energy: -240.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2367.808115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.808115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.808115 (E_RNA) where: Base-Base interactions energy: -1466.262 where: short stacking energy: -852.815 Base-Backbone interact. energy: 0.825 local terms energy: -902.371378 where: bonds (distance) C4'-P energy: -160.073 bonds (distance) P-C4' energy: -190.534 flat angles C4'-P-C4' energy: -199.188 flat angles P-C4'-P energy: -143.441 tors. eta vs tors. theta energy: -209.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2263.717698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.717698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.717698 (E_RNA) where: Base-Base interactions energy: -1403.811 where: short stacking energy: -853.097 Base-Backbone interact. energy: -4.298 local terms energy: -855.608119 where: bonds (distance) C4'-P energy: -153.576 bonds (distance) P-C4' energy: -161.838 flat angles C4'-P-C4' energy: -189.452 flat angles P-C4'-P energy: -128.597 tors. eta vs tors. theta energy: -222.145 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: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1857.296155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.296155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.296155 (E_RNA) where: Base-Base interactions energy: -1106.223 where: short stacking energy: -701.730 Base-Backbone interact. energy: 2.873 local terms energy: -753.946008 where: bonds (distance) C4'-P energy: -170.461 bonds (distance) P-C4' energy: -172.980 flat angles C4'-P-C4' energy: -174.884 flat angles P-C4'-P energy: -104.794 tors. eta vs tors. theta energy: -130.828 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: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1629.257539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.257539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.257539 (E_RNA) where: Base-Base interactions energy: -952.956 where: short stacking energy: -636.121 Base-Backbone interact. energy: 2.026 local terms energy: -678.328185 where: bonds (distance) C4'-P energy: -146.548 bonds (distance) P-C4' energy: -165.839 flat angles C4'-P-C4' energy: -156.448 flat angles P-C4'-P energy: -96.191 tors. eta vs tors. theta energy: -113.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1381.384236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.384236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.384236 (E_RNA) where: Base-Base interactions energy: -732.038 where: short stacking energy: -557.381 Base-Backbone interact. energy: -4.151 local terms energy: -645.195755 where: bonds (distance) C4'-P energy: -149.131 bonds (distance) P-C4' energy: -153.763 flat angles C4'-P-C4' energy: -151.468 flat angles P-C4'-P energy: -93.476 tors. eta vs tors. theta energy: -97.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1124.871284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.871284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.871284 (E_RNA) where: Base-Base interactions energy: -535.025 where: short stacking energy: -410.384 Base-Backbone interact. energy: 0.030 local terms energy: -589.875676 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -176.289 flat angles C4'-P-C4' energy: -144.876 flat angles P-C4'-P energy: -100.419 tors. eta vs tors. theta energy: -37.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -968.285328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.285328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.285328 (E_RNA) where: Base-Base interactions energy: -427.103 where: short stacking energy: -357.011 Base-Backbone interact. energy: 2.376 local terms energy: -543.558114 where: bonds (distance) C4'-P energy: -150.019 bonds (distance) P-C4' energy: -153.264 flat angles C4'-P-C4' energy: -138.739 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -818.522137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.522137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.522137 (E_RNA) where: Base-Base interactions energy: -313.832 where: short stacking energy: -293.109 Base-Backbone interact. energy: 1.827 local terms energy: -506.516862 where: bonds (distance) C4'-P energy: -153.442 bonds (distance) P-C4' energy: -119.529 flat angles C4'-P-C4' energy: -136.938 flat angles P-C4'-P energy: -96.834 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -759.798939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.798939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.798939 (E_RNA) where: Base-Base interactions energy: -308.784 where: short stacking energy: -260.961 Base-Backbone interact. energy: 6.727 local terms energy: -457.742065 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -173.778 flat angles C4'-P-C4' energy: -122.979 flat angles P-C4'-P energy: -54.743 tors. eta vs tors. theta energy: 15.549 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: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2585.291921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.291921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.291921 (E_RNA) where: Base-Base interactions energy: -1615.445 where: short stacking energy: -986.533 Base-Backbone interact. energy: -7.920 local terms energy: -961.926560 where: bonds (distance) C4'-P energy: -169.440 bonds (distance) P-C4' energy: -191.344 flat angles C4'-P-C4' energy: -208.311 flat angles P-C4'-P energy: -133.817 tors. eta vs tors. theta energy: -259.014 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: 2, replica: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2428.406476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.406476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.406476 (E_RNA) where: Base-Base interactions energy: -1513.602 where: short stacking energy: -910.310 Base-Backbone interact. energy: -2.793 local terms energy: -912.011217 where: bonds (distance) C4'-P energy: -179.200 bonds (distance) P-C4' energy: -176.122 flat angles C4'-P-C4' energy: -202.095 flat angles P-C4'-P energy: -130.995 tors. eta vs tors. theta energy: -223.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2228.019810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.019810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.019810 (E_RNA) where: Base-Base interactions energy: -1351.145 where: short stacking energy: -827.607 Base-Backbone interact. energy: -1.492 local terms energy: -875.382376 where: bonds (distance) C4'-P energy: -158.724 bonds (distance) P-C4' energy: -192.400 flat angles C4'-P-C4' energy: -197.316 flat angles P-C4'-P energy: -130.365 tors. eta vs tors. theta energy: -196.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1867.815144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.815144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.815144 (E_RNA) where: Base-Base interactions energy: -1129.339 where: short stacking energy: -697.509 Base-Backbone interact. energy: 3.674 local terms energy: -742.149577 where: bonds (distance) C4'-P energy: -160.844 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -176.236 flat angles P-C4'-P energy: -113.881 tors. eta vs tors. theta energy: -131.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1585.691811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.691811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.691811 (E_RNA) where: Base-Base interactions energy: -874.418 where: short stacking energy: -538.300 Base-Backbone interact. energy: 2.082 local terms energy: -713.355615 where: bonds (distance) C4'-P energy: -170.190 bonds (distance) P-C4' energy: -159.484 flat angles C4'-P-C4' energy: -181.298 flat angles P-C4'-P energy: -106.714 tors. eta vs tors. theta energy: -95.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1334.448948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.448948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.448948 (E_RNA) where: Base-Base interactions energy: -718.259 where: short stacking energy: -498.428 Base-Backbone interact. energy: -4.214 local terms energy: -611.975440 where: bonds (distance) C4'-P energy: -139.616 bonds (distance) P-C4' energy: -171.878 flat angles C4'-P-C4' energy: -149.900 flat angles P-C4'-P energy: -87.486 tors. eta vs tors. theta energy: -63.095 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: 8 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1122.422475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.422475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.422475 (E_RNA) where: Base-Base interactions energy: -552.934 where: short stacking energy: -447.878 Base-Backbone interact. energy: -3.249 local terms energy: -566.239512 where: bonds (distance) C4'-P energy: -133.681 bonds (distance) P-C4' energy: -156.142 flat angles C4'-P-C4' energy: -147.567 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -49.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1001.035887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.035887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.035887 (E_RNA) where: Base-Base interactions energy: -484.542 where: short stacking energy: -386.724 Base-Backbone interact. energy: 1.904 local terms energy: -518.398137 where: bonds (distance) C4'-P energy: -135.861 bonds (distance) P-C4' energy: -151.388 flat angles C4'-P-C4' energy: -151.176 flat angles P-C4'-P energy: -61.122 tors. eta vs tors. theta energy: -18.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -830.950929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.950929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.950929 (E_RNA) where: Base-Base interactions energy: -337.166 where: short stacking energy: -295.045 Base-Backbone interact. energy: -2.753 local terms energy: -491.031777 where: bonds (distance) C4'-P energy: -129.719 bonds (distance) P-C4' energy: -162.217 flat angles C4'-P-C4' energy: -126.906 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: 8.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -771.756775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.756775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.756775 (E_RNA) where: Base-Base interactions energy: -297.861 where: short stacking energy: -252.753 Base-Backbone interact. energy: -1.111 local terms energy: -472.784334 where: bonds (distance) C4'-P energy: -148.039 bonds (distance) P-C4' energy: -156.829 flat angles C4'-P-C4' energy: -125.421 flat angles P-C4'-P energy: -80.523 tors. eta vs tors. theta energy: 38.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2609.802472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.802472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.802472 (E_RNA) where: Base-Base interactions energy: -1650.773 where: short stacking energy: -987.335 Base-Backbone interact. energy: -3.273 local terms energy: -955.756668 where: bonds (distance) C4'-P energy: -186.220 bonds (distance) P-C4' energy: -177.287 flat angles C4'-P-C4' energy: -203.880 flat angles P-C4'-P energy: -135.211 tors. eta vs tors. theta energy: -253.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2419.249919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.249919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.249919 (E_RNA) where: Base-Base interactions energy: -1533.173 where: short stacking energy: -909.449 Base-Backbone interact. energy: -3.449 local terms energy: -882.628798 where: bonds (distance) C4'-P energy: -179.935 bonds (distance) P-C4' energy: -169.556 flat angles C4'-P-C4' energy: -190.507 flat angles P-C4'-P energy: -119.051 tors. eta vs tors. theta energy: -223.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2177.471018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.471018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.471018 (E_RNA) where: Base-Base interactions energy: -1323.476 where: short stacking energy: -837.254 Base-Backbone interact. energy: -2.602 local terms energy: -851.393228 where: bonds (distance) C4'-P energy: -177.138 bonds (distance) P-C4' energy: -170.222 flat angles C4'-P-C4' energy: -207.128 flat angles P-C4'-P energy: -111.100 tors. eta vs tors. theta energy: -185.806 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: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1938.048300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.048300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.048300 (E_RNA) where: Base-Base interactions energy: -1177.160 where: short stacking energy: -750.434 Base-Backbone interact. energy: -0.758 local terms energy: -760.129635 where: bonds (distance) C4'-P energy: -143.434 bonds (distance) P-C4' energy: -167.540 flat angles C4'-P-C4' energy: -184.129 flat angles P-C4'-P energy: -120.259 tors. eta vs tors. theta energy: -144.768 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1650.908765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.908765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.908765 (E_RNA) where: Base-Base interactions energy: -961.509 where: short stacking energy: -606.658 Base-Backbone interact. energy: -4.386 local terms energy: -685.013980 where: bonds (distance) C4'-P energy: -146.731 bonds (distance) P-C4' energy: -156.488 flat angles C4'-P-C4' energy: -180.990 flat angles P-C4'-P energy: -101.663 tors. eta vs tors. theta energy: -99.142 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: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1354.293044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.293044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.293044 (E_RNA) where: Base-Base interactions energy: -691.151 where: short stacking energy: -505.325 Base-Backbone interact. energy: -3.467 local terms energy: -659.674484 where: bonds (distance) C4'-P energy: -157.505 bonds (distance) P-C4' energy: -164.618 flat angles C4'-P-C4' energy: -150.567 flat angles P-C4'-P energy: -92.334 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1088.553660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.553660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.553660 (E_RNA) where: Base-Base interactions energy: -511.626 where: short stacking energy: -401.450 Base-Backbone interact. energy: 0.385 local terms energy: -577.312997 where: bonds (distance) C4'-P energy: -159.050 bonds (distance) P-C4' energy: -150.924 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -19.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1034.142545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.142545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.142545 (E_RNA) where: Base-Base interactions energy: -502.803 where: short stacking energy: -370.092 Base-Backbone interact. energy: 2.830 local terms energy: -534.169223 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -142.141 flat angles P-C4'-P energy: -87.920 tors. eta vs tors. theta energy: -13.412 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: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -826.589332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.589332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.589332 (E_RNA) where: Base-Base interactions energy: -332.187 where: short stacking energy: -270.284 Base-Backbone interact. energy: 6.272 local terms energy: -500.674402 where: bonds (distance) C4'-P energy: -142.128 bonds (distance) P-C4' energy: -143.329 flat angles C4'-P-C4' energy: -139.871 flat angles P-C4'-P energy: -82.623 tors. eta vs tors. theta energy: 7.277 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: 458 Temperature: 1.350000 Total energy: -777.969750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.969750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.969750 (E_RNA) where: Base-Base interactions energy: -303.112 where: short stacking energy: -291.416 Base-Backbone interact. energy: 1.890 local terms energy: -476.748090 where: bonds (distance) C4'-P energy: -149.100 bonds (distance) P-C4' energy: -136.363 flat angles C4'-P-C4' energy: -120.213 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2573.697944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.697944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.697944 (E_RNA) where: Base-Base interactions energy: -1613.048 where: short stacking energy: -981.458 Base-Backbone interact. energy: -7.635 local terms energy: -953.015297 where: bonds (distance) C4'-P energy: -184.919 bonds (distance) P-C4' energy: -164.574 flat angles C4'-P-C4' energy: -213.648 flat angles P-C4'-P energy: -139.408 tors. eta vs tors. theta energy: -250.467 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: 459 Temperature: 0.950000 Total energy: -2443.732044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.732044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.732044 (E_RNA) where: Base-Base interactions energy: -1553.576 where: short stacking energy: -916.704 Base-Backbone interact. energy: -2.764 local terms energy: -887.392316 where: bonds (distance) C4'-P energy: -180.898 bonds (distance) P-C4' energy: -169.018 flat angles C4'-P-C4' energy: -197.374 flat angles P-C4'-P energy: -126.832 tors. eta vs tors. theta energy: -213.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2253.237390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.237390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.237390 (E_RNA) where: Base-Base interactions energy: -1368.775 where: short stacking energy: -853.763 Base-Backbone interact. energy: 3.312 local terms energy: -887.774158 where: bonds (distance) C4'-P energy: -177.605 bonds (distance) P-C4' energy: -186.937 flat angles C4'-P-C4' energy: -196.059 flat angles P-C4'-P energy: -124.053 tors. eta vs tors. theta energy: -203.120 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: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1944.866879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.866879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.866879 (E_RNA) where: Base-Base interactions energy: -1141.257 where: short stacking energy: -714.339 Base-Backbone interact. energy: -1.186 local terms energy: -802.424750 where: bonds (distance) C4'-P energy: -155.132 bonds (distance) P-C4' energy: -175.925 flat angles C4'-P-C4' energy: -175.282 flat angles P-C4'-P energy: -125.139 tors. eta vs tors. theta energy: -170.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1635.151305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.151305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.151305 (E_RNA) where: Base-Base interactions energy: -949.200 where: short stacking energy: -639.771 Base-Backbone interact. energy: 2.914 local terms energy: -688.865045 where: bonds (distance) C4'-P energy: -143.358 bonds (distance) P-C4' energy: -161.684 flat angles C4'-P-C4' energy: -168.717 flat angles P-C4'-P energy: -97.695 tors. eta vs tors. theta energy: -117.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1352.790520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.790520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.790520 (E_RNA) where: Base-Base interactions energy: -701.369 where: short stacking energy: -481.982 Base-Backbone interact. energy: -5.694 local terms energy: -645.727843 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -163.357 flat angles C4'-P-C4' energy: -147.823 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -78.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1111.057833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.057833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.057833 (E_RNA) where: Base-Base interactions energy: -568.817 where: short stacking energy: -444.427 Base-Backbone interact. energy: 4.497 local terms energy: -546.738081 where: bonds (distance) C4'-P energy: -136.605 bonds (distance) P-C4' energy: -147.621 flat angles C4'-P-C4' energy: -130.041 flat angles P-C4'-P energy: -108.590 tors. eta vs tors. theta energy: -23.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -997.850179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.850179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.850179 (E_RNA) where: Base-Base interactions energy: -449.346 where: short stacking energy: -345.510 Base-Backbone interact. energy: -1.123 local terms energy: -547.381062 where: bonds (distance) C4'-P energy: -143.475 bonds (distance) P-C4' energy: -185.500 flat angles C4'-P-C4' energy: -128.944 flat angles P-C4'-P energy: -80.899 tors. eta vs tors. theta energy: -8.563 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: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -821.429471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.429471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.429471 (E_RNA) where: Base-Base interactions energy: -293.902 where: short stacking energy: -236.937 Base-Backbone interact. energy: 4.245 local terms energy: -531.772432 where: bonds (distance) C4'-P energy: -153.144 bonds (distance) P-C4' energy: -172.865 flat angles C4'-P-C4' energy: -144.700 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: 16.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -819.712022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.712022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.712022 (E_RNA) where: Base-Base interactions energy: -351.110 where: short stacking energy: -286.570 Base-Backbone interact. energy: 2.337 local terms energy: -470.939459 where: bonds (distance) C4'-P energy: -141.763 bonds (distance) P-C4' energy: -139.946 flat angles C4'-P-C4' energy: -141.955 flat angles P-C4'-P energy: -63.963 tors. eta vs tors. theta energy: 16.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2576.765204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.765204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.765204 (E_RNA) where: Base-Base interactions energy: -1623.091 where: short stacking energy: -961.779 Base-Backbone interact. energy: -3.247 local terms energy: -950.427508 where: bonds (distance) C4'-P energy: -190.176 bonds (distance) P-C4' energy: -177.199 flat angles C4'-P-C4' energy: -218.427 flat angles P-C4'-P energy: -122.886 tors. eta vs tors. theta energy: -241.739 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: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2403.494662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.494662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.494662 (E_RNA) where: Base-Base interactions energy: -1494.295 where: short stacking energy: -893.238 Base-Backbone interact. energy: -4.458 local terms energy: -904.741723 where: bonds (distance) C4'-P energy: -185.063 bonds (distance) P-C4' energy: -188.541 flat angles C4'-P-C4' energy: -193.510 flat angles P-C4'-P energy: -125.426 tors. eta vs tors. theta energy: -212.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2251.558645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.558645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.558645 (E_RNA) where: Base-Base interactions energy: -1403.065 where: short stacking energy: -850.166 Base-Backbone interact. energy: -0.779 local terms energy: -847.714255 where: bonds (distance) C4'-P energy: -146.657 bonds (distance) P-C4' energy: -189.578 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -113.505 tors. eta vs tors. theta energy: -206.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1906.533641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.533641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.533641 (E_RNA) where: Base-Base interactions energy: -1179.968 where: short stacking energy: -733.649 Base-Backbone interact. energy: -1.828 local terms energy: -724.737143 where: bonds (distance) C4'-P energy: -153.085 bonds (distance) P-C4' energy: -171.127 flat angles C4'-P-C4' energy: -174.506 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -139.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1680.444852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.444852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.444852 (E_RNA) where: Base-Base interactions energy: -961.018 where: short stacking energy: -616.570 Base-Backbone interact. energy: -0.074 local terms energy: -719.352725 where: bonds (distance) C4'-P energy: -180.444 bonds (distance) P-C4' energy: -153.339 flat angles C4'-P-C4' energy: -175.106 flat angles P-C4'-P energy: -88.641 tors. eta vs tors. theta energy: -121.823 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: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1319.062041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.062041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.062041 (E_RNA) where: Base-Base interactions energy: -670.495 where: short stacking energy: -459.561 Base-Backbone interact. energy: -3.788 local terms energy: -644.778152 where: bonds (distance) C4'-P energy: -163.345 bonds (distance) P-C4' energy: -167.131 flat angles C4'-P-C4' energy: -158.631 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -63.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1113.471211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.471211 (E_RNA) where: Base-Base interactions energy: -538.951 where: short stacking energy: -412.143 Base-Backbone interact. energy: 1.819 local terms energy: -576.338506 where: bonds (distance) C4'-P energy: -165.349 bonds (distance) P-C4' energy: -147.570 flat angles C4'-P-C4' energy: -126.672 flat angles P-C4'-P energy: -95.381 tors. eta vs tors. theta energy: -41.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -984.453306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.453306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.453306 (E_RNA) where: Base-Base interactions energy: -456.878 where: short stacking energy: -357.887 Base-Backbone interact. energy: 5.814 local terms energy: -533.389111 where: bonds (distance) C4'-P energy: -153.315 bonds (distance) P-C4' energy: -142.868 flat angles C4'-P-C4' energy: -141.877 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -13.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -820.103934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.103934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.103934 (E_RNA) where: Base-Base interactions energy: -355.302 where: short stacking energy: -309.949 Base-Backbone interact. energy: 3.584 local terms energy: -468.386259 where: bonds (distance) C4'-P energy: -128.000 bonds (distance) P-C4' energy: -140.639 flat angles C4'-P-C4' energy: -130.854 flat angles P-C4'-P energy: -77.270 tors. eta vs tors. theta energy: 8.377 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: 460 Temperature: 1.350000 Total energy: -778.064166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.064166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.064166 (E_RNA) where: Base-Base interactions energy: -304.901 where: short stacking energy: -268.016 Base-Backbone interact. energy: -2.262 local terms energy: -470.901112 where: bonds (distance) C4'-P energy: -120.892 bonds (distance) P-C4' energy: -151.734 flat angles C4'-P-C4' energy: -142.355 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2532.628078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.628078 (E_RNA) where: Base-Base interactions energy: -1589.823 where: short stacking energy: -933.095 Base-Backbone interact. energy: -10.797 local terms energy: -932.007359 where: bonds (distance) C4'-P energy: -186.205 bonds (distance) P-C4' energy: -177.701 flat angles C4'-P-C4' energy: -202.605 flat angles P-C4'-P energy: -128.460 tors. eta vs tors. theta energy: -237.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2369.338963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.338963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.338963 (E_RNA) where: Base-Base interactions energy: -1496.997 where: short stacking energy: -924.372 Base-Backbone interact. energy: -0.368 local terms energy: -871.973847 where: bonds (distance) C4'-P energy: -176.549 bonds (distance) P-C4' energy: -159.999 flat angles C4'-P-C4' energy: -205.629 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -221.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2234.595202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.595202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.595202 (E_RNA) where: Base-Base interactions energy: -1382.747 where: short stacking energy: -869.863 Base-Backbone interact. energy: -0.933 local terms energy: -850.915246 where: bonds (distance) C4'-P energy: -155.679 bonds (distance) P-C4' energy: -182.313 flat angles C4'-P-C4' energy: -184.771 flat angles P-C4'-P energy: -130.663 tors. eta vs tors. theta energy: -197.488 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: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1958.161259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.161259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.161259 (E_RNA) where: Base-Base interactions energy: -1167.408 where: short stacking energy: -744.303 Base-Backbone interact. energy: -2.534 local terms energy: -788.219296 where: bonds (distance) C4'-P energy: -166.148 bonds (distance) P-C4' energy: -162.240 flat angles C4'-P-C4' energy: -177.844 flat angles P-C4'-P energy: -118.802 tors. eta vs tors. theta energy: -163.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1704.008553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.008553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.008553 (E_RNA) where: Base-Base interactions energy: -973.712 where: short stacking energy: -619.210 Base-Backbone interact. energy: 1.267 local terms energy: -731.563700 where: bonds (distance) C4'-P energy: -169.625 bonds (distance) P-C4' energy: -170.400 flat angles C4'-P-C4' energy: -184.789 flat angles P-C4'-P energy: -84.625 tors. eta vs tors. theta energy: -122.124 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: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1366.447025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.447025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.447025 (E_RNA) where: Base-Base interactions energy: -739.306 where: short stacking energy: -519.559 Base-Backbone interact. energy: -1.429 local terms energy: -625.712495 where: bonds (distance) C4'-P energy: -134.934 bonds (distance) P-C4' energy: -158.568 flat angles C4'-P-C4' energy: -169.459 flat angles P-C4'-P energy: -95.616 tors. eta vs tors. theta energy: -67.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1104.539232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.539232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.539232 (E_RNA) where: Base-Base interactions energy: -510.482 where: short stacking energy: -405.378 Base-Backbone interact. energy: -1.840 local terms energy: -592.217242 where: bonds (distance) C4'-P energy: -143.513 bonds (distance) P-C4' energy: -164.059 flat angles C4'-P-C4' energy: -166.184 flat angles P-C4'-P energy: -90.661 tors. eta vs tors. theta energy: -27.801 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: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -950.170989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.170989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.170989 (E_RNA) where: Base-Base interactions energy: -440.023 where: short stacking energy: -300.339 Base-Backbone interact. energy: 0.045 local terms energy: -510.192952 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -153.502 flat angles C4'-P-C4' energy: -130.423 flat angles P-C4'-P energy: -94.058 tors. eta vs tors. theta energy: 22.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -872.110595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.110595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.110595 (E_RNA) where: Base-Base interactions energy: -395.367 where: short stacking energy: -321.268 Base-Backbone interact. energy: -2.009 local terms energy: -474.734738 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -139.726 flat angles P-C4'-P energy: -75.932 tors. eta vs tors. theta energy: 5.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -773.956399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.956399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.956399 (E_RNA) where: Base-Base interactions energy: -327.371 where: short stacking energy: -280.979 Base-Backbone interact. energy: -1.806 local terms energy: -444.778811 where: bonds (distance) C4'-P energy: -118.634 bonds (distance) P-C4' energy: -141.983 flat angles C4'-P-C4' energy: -118.016 flat angles P-C4'-P energy: -88.784 tors. eta vs tors. theta energy: 22.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2591.294265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.294265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.294265 (E_RNA) where: Base-Base interactions energy: -1647.859 where: short stacking energy: -979.430 Base-Backbone interact. energy: 1.105 local terms energy: -944.540186 where: bonds (distance) C4'-P energy: -187.098 bonds (distance) P-C4' energy: -180.209 flat angles C4'-P-C4' energy: -198.978 flat angles P-C4'-P energy: -132.763 tors. eta vs tors. theta energy: -245.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2357.304165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.304165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.304165 (E_RNA) where: Base-Base interactions energy: -1477.339 where: short stacking energy: -887.148 Base-Backbone interact. energy: 0.334 local terms energy: -880.299374 where: bonds (distance) C4'-P energy: -164.380 bonds (distance) P-C4' energy: -187.592 flat angles C4'-P-C4' energy: -194.506 flat angles P-C4'-P energy: -129.515 tors. eta vs tors. theta energy: -204.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2226.025002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.025002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.025002 (E_RNA) where: Base-Base interactions energy: -1350.106 where: short stacking energy: -835.665 Base-Backbone interact. energy: -1.767 local terms energy: -874.152274 where: bonds (distance) C4'-P energy: -173.618 bonds (distance) P-C4' energy: -174.181 flat angles C4'-P-C4' energy: -194.737 flat angles P-C4'-P energy: -122.810 tors. eta vs tors. theta energy: -208.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1949.445548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.445548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.445548 (E_RNA) where: Base-Base interactions energy: -1161.434 where: short stacking energy: -695.915 Base-Backbone interact. energy: 1.104 local terms energy: -789.114807 where: bonds (distance) C4'-P energy: -172.365 bonds (distance) P-C4' energy: -181.540 flat angles C4'-P-C4' energy: -190.438 flat angles P-C4'-P energy: -86.046 tors. eta vs tors. theta energy: -158.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1632.020287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.020287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.020287 (E_RNA) where: Base-Base interactions energy: -935.846 where: short stacking energy: -600.041 Base-Backbone interact. energy: -2.761 local terms energy: -693.413003 where: bonds (distance) C4'-P energy: -151.049 bonds (distance) P-C4' energy: -162.412 flat angles C4'-P-C4' energy: -169.551 flat angles P-C4'-P energy: -103.906 tors. eta vs tors. theta energy: -106.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1334.548057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.548057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.548057 (E_RNA) where: Base-Base interactions energy: -702.932 where: short stacking energy: -486.410 Base-Backbone interact. energy: -0.889 local terms energy: -630.727348 where: bonds (distance) C4'-P energy: -157.522 bonds (distance) P-C4' energy: -149.720 flat angles C4'-P-C4' energy: -165.985 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -67.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1050.236846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.236846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.236846 (E_RNA) where: Base-Base interactions energy: -481.950 where: short stacking energy: -408.914 Base-Backbone interact. energy: -3.962 local terms energy: -564.325496 where: bonds (distance) C4'-P energy: -135.374 bonds (distance) P-C4' energy: -167.360 flat angles C4'-P-C4' energy: -145.722 flat angles P-C4'-P energy: -81.999 tors. eta vs tors. theta energy: -33.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1007.106681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.106681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.106681 (E_RNA) where: Base-Base interactions energy: -452.863 where: short stacking energy: -335.737 Base-Backbone interact. energy: 0.014 local terms energy: -554.258419 where: bonds (distance) C4'-P energy: -158.650 bonds (distance) P-C4' energy: -167.468 flat angles C4'-P-C4' energy: -141.046 flat angles P-C4'-P energy: -78.289 tors. eta vs tors. theta energy: -8.805 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: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -872.854566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.854566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.854566 (E_RNA) where: Base-Base interactions energy: -389.147 where: short stacking energy: -343.627 Base-Backbone interact. energy: 3.365 local terms energy: -487.072740 where: bonds (distance) C4'-P energy: -145.700 bonds (distance) P-C4' energy: -157.376 flat angles C4'-P-C4' energy: -126.374 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: 3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -771.575421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.575421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.575421 (E_RNA) where: Base-Base interactions energy: -294.905 where: short stacking energy: -250.529 Base-Backbone interact. energy: 4.896 local terms energy: -481.566575 where: bonds (distance) C4'-P energy: -154.241 bonds (distance) P-C4' energy: -141.850 flat angles C4'-P-C4' energy: -122.322 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: 8.544 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: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2597.115890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.115890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.115890 (E_RNA) where: Base-Base interactions energy: -1621.540 where: short stacking energy: -952.364 Base-Backbone interact. energy: -9.162 local terms energy: -966.414128 where: bonds (distance) C4'-P energy: -185.538 bonds (distance) P-C4' energy: -195.215 flat angles C4'-P-C4' energy: -208.453 flat angles P-C4'-P energy: -135.773 tors. eta vs tors. theta energy: -241.435 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: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2342.056082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.056082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.056082 (E_RNA) where: Base-Base interactions energy: -1436.161 where: short stacking energy: -840.581 Base-Backbone interact. energy: -3.223 local terms energy: -902.671493 where: bonds (distance) C4'-P energy: -180.211 bonds (distance) P-C4' energy: -174.200 flat angles C4'-P-C4' energy: -200.358 flat angles P-C4'-P energy: -143.914 tors. eta vs tors. theta energy: -203.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2232.938350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.938350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.938350 (E_RNA) where: Base-Base interactions energy: -1393.844 where: short stacking energy: -846.825 Base-Backbone interact. energy: -1.063 local terms energy: -838.031842 where: bonds (distance) C4'-P energy: -149.007 bonds (distance) P-C4' energy: -171.445 flat angles C4'-P-C4' energy: -186.598 flat angles P-C4'-P energy: -136.852 tors. eta vs tors. theta energy: -194.131 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: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1874.825857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.825857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.825857 (E_RNA) where: Base-Base interactions energy: -1086.353 where: short stacking energy: -665.169 Base-Backbone interact. energy: -3.138 local terms energy: -785.334722 where: bonds (distance) C4'-P energy: -160.910 bonds (distance) P-C4' energy: -170.909 flat angles C4'-P-C4' energy: -187.886 flat angles P-C4'-P energy: -101.029 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: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1636.289624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.289624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.289624 (E_RNA) where: Base-Base interactions energy: -953.552 where: short stacking energy: -592.949 Base-Backbone interact. energy: 1.552 local terms energy: -684.289855 where: bonds (distance) C4'-P energy: -167.577 bonds (distance) P-C4' energy: -148.425 flat angles C4'-P-C4' energy: -159.942 flat angles P-C4'-P energy: -100.151 tors. eta vs tors. theta energy: -108.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1319.154826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.154826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.154826 (E_RNA) where: Base-Base interactions energy: -661.551 where: short stacking energy: -464.561 Base-Backbone interact. energy: -3.765 local terms energy: -653.839050 where: bonds (distance) C4'-P energy: -154.046 bonds (distance) P-C4' energy: -170.981 flat angles C4'-P-C4' energy: -157.736 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -82.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1134.686587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.686587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.686587 (E_RNA) where: Base-Base interactions energy: -536.214 where: short stacking energy: -418.909 Base-Backbone interact. energy: 0.899 local terms energy: -599.371247 where: bonds (distance) C4'-P energy: -156.464 bonds (distance) P-C4' energy: -147.111 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -84.983 tors. eta vs tors. theta energy: -65.993 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: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -986.653031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.653031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.653031 (E_RNA) where: Base-Base interactions energy: -449.097 where: short stacking energy: -355.168 Base-Backbone interact. energy: -2.468 local terms energy: -535.088289 where: bonds (distance) C4'-P energy: -145.933 bonds (distance) P-C4' energy: -147.174 flat angles C4'-P-C4' energy: -131.791 flat angles P-C4'-P energy: -91.255 tors. eta vs tors. theta energy: -18.936 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: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -832.868642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.868642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.868642 (E_RNA) where: Base-Base interactions energy: -355.048 where: short stacking energy: -294.580 Base-Backbone interact. energy: 4.230 local terms energy: -482.050712 where: bonds (distance) C4'-P energy: -136.453 bonds (distance) P-C4' energy: -170.600 flat angles C4'-P-C4' energy: -113.529 flat angles P-C4'-P energy: -76.594 tors. eta vs tors. theta energy: 15.125 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: 463 Temperature: 1.350000 Total energy: -789.309885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.309885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.309885 (E_RNA) where: Base-Base interactions energy: -304.975 where: short stacking energy: -286.907 Base-Backbone interact. energy: 7.219 local terms energy: -491.553155 where: bonds (distance) C4'-P energy: -148.344 bonds (distance) P-C4' energy: -133.756 flat angles C4'-P-C4' energy: -134.330 flat angles P-C4'-P energy: -70.866 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2571.827201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.827201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.827201 (E_RNA) where: Base-Base interactions energy: -1619.137 where: short stacking energy: -916.422 Base-Backbone interact. energy: -2.387 local terms energy: -950.303728 where: bonds (distance) C4'-P energy: -190.080 bonds (distance) P-C4' energy: -182.588 flat angles C4'-P-C4' energy: -207.082 flat angles P-C4'-P energy: -126.905 tors. eta vs tors. theta energy: -243.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2360.545774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.545774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.545774 (E_RNA) where: Base-Base interactions energy: -1459.997 where: short stacking energy: -867.430 Base-Backbone interact. energy: -2.313 local terms energy: -898.236223 where: bonds (distance) C4'-P energy: -169.674 bonds (distance) P-C4' energy: -180.989 flat angles C4'-P-C4' energy: -188.026 flat angles P-C4'-P energy: -131.766 tors. eta vs tors. theta energy: -227.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2267.527567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.527567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.527567 (E_RNA) where: Base-Base interactions energy: -1413.092 where: short stacking energy: -853.292 Base-Backbone interact. energy: 0.951 local terms energy: -855.386894 where: bonds (distance) C4'-P energy: -154.155 bonds (distance) P-C4' energy: -172.047 flat angles C4'-P-C4' energy: -204.267 flat angles P-C4'-P energy: -119.428 tors. eta vs tors. theta energy: -205.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1893.511951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.511951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.511951 (E_RNA) where: Base-Base interactions energy: -1135.305 where: short stacking energy: -718.735 Base-Backbone interact. energy: -0.152 local terms energy: -758.054636 where: bonds (distance) C4'-P energy: -158.336 bonds (distance) P-C4' energy: -160.994 flat angles C4'-P-C4' energy: -190.033 flat angles P-C4'-P energy: -98.491 tors. eta vs tors. theta energy: -150.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1673.058950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.058950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.058950 (E_RNA) where: Base-Base interactions energy: -982.447 where: short stacking energy: -592.009 Base-Backbone interact. energy: -1.083 local terms energy: -689.529610 where: bonds (distance) C4'-P energy: -159.258 bonds (distance) P-C4' energy: -173.896 flat angles C4'-P-C4' energy: -164.041 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -104.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1325.195991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.195991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.195991 (E_RNA) where: Base-Base interactions energy: -693.444 where: short stacking energy: -507.712 Base-Backbone interact. energy: -2.891 local terms energy: -628.861842 where: bonds (distance) C4'-P energy: -156.111 bonds (distance) P-C4' energy: -153.999 flat angles C4'-P-C4' energy: -149.072 flat angles P-C4'-P energy: -78.702 tors. eta vs tors. theta energy: -90.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1082.738051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.738051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.738051 (E_RNA) where: Base-Base interactions energy: -517.724 where: short stacking energy: -417.657 Base-Backbone interact. energy: -4.931 local terms energy: -560.083375 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -168.817 flat angles C4'-P-C4' energy: -143.413 flat angles P-C4'-P energy: -84.789 tors. eta vs tors. theta energy: -32.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -984.116050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.116050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.116050 (E_RNA) where: Base-Base interactions energy: -463.546 where: short stacking energy: -392.987 Base-Backbone interact. energy: -0.840 local terms energy: -519.729746 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -141.008 flat angles C4'-P-C4' energy: -144.406 flat angles P-C4'-P energy: -87.666 tors. eta vs tors. theta energy: -19.109 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: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -918.089410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.089410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.089410 (E_RNA) where: Base-Base interactions energy: -422.096 where: short stacking energy: -342.463 Base-Backbone interact. energy: 0.485 local terms energy: -496.477994 where: bonds (distance) C4'-P energy: -139.610 bonds (distance) P-C4' energy: -168.431 flat angles C4'-P-C4' energy: -106.731 flat angles P-C4'-P energy: -77.429 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -750.918190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.918190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.918190 (E_RNA) where: Base-Base interactions energy: -290.715 where: short stacking energy: -242.195 Base-Backbone interact. energy: -4.568 local terms energy: -455.634974 where: bonds (distance) C4'-P energy: -140.447 bonds (distance) P-C4' energy: -151.112 flat angles C4'-P-C4' energy: -112.125 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: 3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2586.588713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.588713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.588713 (E_RNA) where: Base-Base interactions energy: -1622.019 where: short stacking energy: -970.574 Base-Backbone interact. energy: -6.320 local terms energy: -958.249831 where: bonds (distance) C4'-P energy: -193.814 bonds (distance) P-C4' energy: -182.151 flat angles C4'-P-C4' energy: -198.263 flat angles P-C4'-P energy: -140.017 tors. eta vs tors. theta energy: -244.004 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: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2332.292242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.292242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.292242 (E_RNA) where: Base-Base interactions energy: -1439.460 where: short stacking energy: -831.036 Base-Backbone interact. energy: -3.206 local terms energy: -889.626216 where: bonds (distance) C4'-P energy: -187.354 bonds (distance) P-C4' energy: -184.743 flat angles C4'-P-C4' energy: -192.915 flat angles P-C4'-P energy: -124.728 tors. eta vs tors. theta energy: -199.887 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: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2168.060641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.060641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.060641 (E_RNA) where: Base-Base interactions energy: -1319.701 where: short stacking energy: -819.450 Base-Backbone interact. energy: -2.950 local terms energy: -845.409239 where: bonds (distance) C4'-P energy: -158.428 bonds (distance) P-C4' energy: -173.710 flat angles C4'-P-C4' energy: -196.845 flat angles P-C4'-P energy: -124.370 tors. eta vs tors. theta energy: -192.056 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: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1850.831234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.831234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.831234 (E_RNA) where: Base-Base interactions energy: -1096.132 where: short stacking energy: -711.591 Base-Backbone interact. energy: 1.675 local terms energy: -756.374779 where: bonds (distance) C4'-P energy: -160.755 bonds (distance) P-C4' energy: -176.286 flat angles C4'-P-C4' energy: -156.959 flat angles P-C4'-P energy: -111.027 tors. eta vs tors. theta energy: -151.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1714.645272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.645272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.645272 (E_RNA) where: Base-Base interactions energy: -1022.361 where: short stacking energy: -623.180 Base-Backbone interact. energy: -1.867 local terms energy: -690.417837 where: bonds (distance) C4'-P energy: -157.445 bonds (distance) P-C4' energy: -150.914 flat angles C4'-P-C4' energy: -167.001 flat angles P-C4'-P energy: -94.063 tors. eta vs tors. theta energy: -120.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1319.269905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.269905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.269905 (E_RNA) where: Base-Base interactions energy: -633.913 where: short stacking energy: -477.188 Base-Backbone interact. energy: -0.710 local terms energy: -684.646898 where: bonds (distance) C4'-P energy: -165.381 bonds (distance) P-C4' energy: -187.059 flat angles C4'-P-C4' energy: -156.589 flat angles P-C4'-P energy: -105.415 tors. eta vs tors. theta energy: -70.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1059.417006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.417006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.417006 (E_RNA) where: Base-Base interactions energy: -470.196 where: short stacking energy: -385.420 Base-Backbone interact. energy: -0.512 local terms energy: -588.709217 where: bonds (distance) C4'-P energy: -146.751 bonds (distance) P-C4' energy: -173.573 flat angles C4'-P-C4' energy: -149.660 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -23.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1003.910048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.910048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.910048 (E_RNA) where: Base-Base interactions energy: -469.337 where: short stacking energy: -382.845 Base-Backbone interact. energy: -1.969 local terms energy: -532.604281 where: bonds (distance) C4'-P energy: -131.731 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -149.762 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -29.672 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: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -823.524508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.524508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.524508 (E_RNA) where: Base-Base interactions energy: -342.911 where: short stacking energy: -273.332 Base-Backbone interact. energy: -4.161 local terms energy: -476.452124 where: bonds (distance) C4'-P energy: -115.939 bonds (distance) P-C4' energy: -170.316 flat angles C4'-P-C4' energy: -147.244 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: 10.189 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: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -725.059760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.059760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.059760 (E_RNA) where: Base-Base interactions energy: -255.953 where: short stacking energy: -239.855 Base-Backbone interact. energy: -3.076 local terms energy: -466.031112 where: bonds (distance) C4'-P energy: -148.819 bonds (distance) P-C4' energy: -151.374 flat angles C4'-P-C4' energy: -126.633 flat angles P-C4'-P energy: -75.591 tors. eta vs tors. theta energy: 36.387 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: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2602.384051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.384051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.384051 (E_RNA) where: Base-Base interactions energy: -1632.010 where: short stacking energy: -970.682 Base-Backbone interact. energy: -7.682 local terms energy: -962.691617 where: bonds (distance) C4'-P energy: -191.475 bonds (distance) P-C4' energy: -186.972 flat angles C4'-P-C4' energy: -203.822 flat angles P-C4'-P energy: -134.589 tors. eta vs tors. theta energy: -245.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2382.949649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.949649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.949649 (E_RNA) where: Base-Base interactions energy: -1475.987 where: short stacking energy: -893.919 Base-Backbone interact. energy: -5.251 local terms energy: -901.711189 where: bonds (distance) C4'-P energy: -180.114 bonds (distance) P-C4' energy: -179.469 flat angles C4'-P-C4' energy: -188.838 flat angles P-C4'-P energy: -115.785 tors. eta vs tors. theta energy: -237.505 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: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2146.130513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.130513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.130513 (E_RNA) where: Base-Base interactions energy: -1289.592 where: short stacking energy: -794.280 Base-Backbone interact. energy: -1.436 local terms energy: -855.102065 where: bonds (distance) C4'-P energy: -163.849 bonds (distance) P-C4' energy: -179.095 flat angles C4'-P-C4' energy: -198.486 flat angles P-C4'-P energy: -122.400 tors. eta vs tors. theta energy: -191.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1861.244064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.244064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.244064 (E_RNA) where: Base-Base interactions energy: -1090.977 where: short stacking energy: -692.713 Base-Backbone interact. energy: -0.797 local terms energy: -769.469976 where: bonds (distance) C4'-P energy: -167.290 bonds (distance) P-C4' energy: -172.973 flat angles C4'-P-C4' energy: -176.613 flat angles P-C4'-P energy: -120.296 tors. eta vs tors. theta energy: -132.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1712.262593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.262593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.262593 (E_RNA) where: Base-Base interactions energy: -995.037 where: short stacking energy: -612.118 Base-Backbone interact. energy: 2.515 local terms energy: -719.741329 where: bonds (distance) C4'-P energy: -164.786 bonds (distance) P-C4' energy: -152.328 flat angles C4'-P-C4' energy: -166.277 flat angles P-C4'-P energy: -108.193 tors. eta vs tors. theta energy: -128.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1316.144195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.144195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.144195 (E_RNA) where: Base-Base interactions energy: -684.112 where: short stacking energy: -497.893 Base-Backbone interact. energy: -1.279 local terms energy: -630.753188 where: bonds (distance) C4'-P energy: -158.707 bonds (distance) P-C4' energy: -140.235 flat angles C4'-P-C4' energy: -166.090 flat angles P-C4'-P energy: -94.456 tors. eta vs tors. theta energy: -71.266 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: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1071.947053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.947053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.947053 (E_RNA) where: Base-Base interactions energy: -454.490 where: short stacking energy: -388.807 Base-Backbone interact. energy: -3.518 local terms energy: -613.939682 where: bonds (distance) C4'-P energy: -159.049 bonds (distance) P-C4' energy: -183.802 flat angles C4'-P-C4' energy: -143.880 flat angles P-C4'-P energy: -85.971 tors. eta vs tors. theta energy: -41.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -955.232250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.232250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.232250 (E_RNA) where: Base-Base interactions energy: -406.498 where: short stacking energy: -350.915 Base-Backbone interact. energy: 0.805 local terms energy: -549.538851 where: bonds (distance) C4'-P energy: -156.194 bonds (distance) P-C4' energy: -150.667 flat angles C4'-P-C4' energy: -152.504 flat angles P-C4'-P energy: -75.998 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -872.522955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.522955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.522955 (E_RNA) where: Base-Base interactions energy: -338.720 where: short stacking energy: -325.686 Base-Backbone interact. energy: 0.705 local terms energy: -534.507090 where: bonds (distance) C4'-P energy: -155.338 bonds (distance) P-C4' energy: -151.371 flat angles C4'-P-C4' energy: -132.847 flat angles P-C4'-P energy: -91.335 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -769.681726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.681726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.681726 (E_RNA) where: Base-Base interactions energy: -294.797 where: short stacking energy: -257.600 Base-Backbone interact. energy: 1.685 local terms energy: -476.569672 where: bonds (distance) C4'-P energy: -151.085 bonds (distance) P-C4' energy: -137.599 flat angles C4'-P-C4' energy: -125.114 flat angles P-C4'-P energy: -84.813 tors. eta vs tors. theta energy: 22.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2607.256581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.256581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.256581 (E_RNA) where: Base-Base interactions energy: -1635.508 where: short stacking energy: -981.923 Base-Backbone interact. energy: -3.703 local terms energy: -968.045129 where: bonds (distance) C4'-P energy: -168.117 bonds (distance) P-C4' energy: -195.471 flat angles C4'-P-C4' energy: -203.940 flat angles P-C4'-P energy: -150.498 tors. eta vs tors. theta energy: -250.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2384.959629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.959629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.959629 (E_RNA) where: Base-Base interactions energy: -1481.553 where: short stacking energy: -908.822 Base-Backbone interact. energy: -3.225 local terms energy: -900.182026 where: bonds (distance) C4'-P energy: -171.958 bonds (distance) P-C4' energy: -176.002 flat angles C4'-P-C4' energy: -208.464 flat angles P-C4'-P energy: -125.859 tors. eta vs tors. theta energy: -217.899 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: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2164.547528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.547528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.547528 (E_RNA) where: Base-Base interactions energy: -1322.330 where: short stacking energy: -812.769 Base-Backbone interact. energy: -4.558 local terms energy: -837.660129 where: bonds (distance) C4'-P energy: -153.205 bonds (distance) P-C4' energy: -192.749 flat angles C4'-P-C4' energy: -174.664 flat angles P-C4'-P energy: -121.698 tors. eta vs tors. theta energy: -195.345 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: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1876.717607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.717607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.717607 (E_RNA) where: Base-Base interactions energy: -1104.802 where: short stacking energy: -700.806 Base-Backbone interact. energy: -1.723 local terms energy: -770.192086 where: bonds (distance) C4'-P energy: -164.466 bonds (distance) P-C4' energy: -158.965 flat angles C4'-P-C4' energy: -182.171 flat angles P-C4'-P energy: -121.269 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: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1654.747919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.747919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.747919 (E_RNA) where: Base-Base interactions energy: -964.944 where: short stacking energy: -610.882 Base-Backbone interact. energy: 0.142 local terms energy: -689.946262 where: bonds (distance) C4'-P energy: -146.030 bonds (distance) P-C4' energy: -156.220 flat angles C4'-P-C4' energy: -179.947 flat angles P-C4'-P energy: -113.098 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1294.629999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.629999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.629999 (E_RNA) where: Base-Base interactions energy: -672.921 where: short stacking energy: -501.302 Base-Backbone interact. energy: 2.131 local terms energy: -623.840215 where: bonds (distance) C4'-P energy: -158.614 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -155.262 flat angles P-C4'-P energy: -95.051 tors. eta vs tors. theta energy: -58.479 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: 467 Temperature: 1.200000 Total energy: -1109.864234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.864234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.864234 (E_RNA) where: Base-Base interactions energy: -544.748 where: short stacking energy: -409.615 Base-Backbone interact. energy: 4.694 local terms energy: -569.810318 where: bonds (distance) C4'-P energy: -143.084 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -110.580 tors. eta vs tors. theta energy: -39.733 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: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -934.745910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.745910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.745910 (E_RNA) where: Base-Base interactions energy: -380.102 where: short stacking energy: -343.676 Base-Backbone interact. energy: 0.969 local terms energy: -555.612056 where: bonds (distance) C4'-P energy: -159.275 bonds (distance) P-C4' energy: -156.824 flat angles C4'-P-C4' energy: -151.359 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -21.838 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: 467 Temperature: 1.300000 Total energy: -804.538182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.538182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.538182 (E_RNA) where: Base-Base interactions energy: -322.519 where: short stacking energy: -294.866 Base-Backbone interact. energy: -0.037 local terms energy: -481.982722 where: bonds (distance) C4'-P energy: -146.344 bonds (distance) P-C4' energy: -148.442 flat angles C4'-P-C4' energy: -125.548 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: 10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -763.997773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.997773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.997773 (E_RNA) where: Base-Base interactions energy: -334.075 where: short stacking energy: -277.973 Base-Backbone interact. energy: 2.625 local terms energy: -432.546971 where: bonds (distance) C4'-P energy: -106.634 bonds (distance) P-C4' energy: -162.194 flat angles C4'-P-C4' energy: -114.944 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: 8.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2599.820958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.820958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.820958 (E_RNA) where: Base-Base interactions energy: -1618.637 where: short stacking energy: -975.057 Base-Backbone interact. energy: -4.624 local terms energy: -976.560504 where: bonds (distance) C4'-P energy: -188.242 bonds (distance) P-C4' energy: -181.445 flat angles C4'-P-C4' energy: -212.250 flat angles P-C4'-P energy: -140.463 tors. eta vs tors. theta energy: -254.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2386.532246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.532246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.532246 (E_RNA) where: Base-Base interactions energy: -1483.815 where: short stacking energy: -919.917 Base-Backbone interact. energy: -4.519 local terms energy: -898.198178 where: bonds (distance) C4'-P energy: -172.651 bonds (distance) P-C4' energy: -150.575 flat angles C4'-P-C4' energy: -203.515 flat angles P-C4'-P energy: -140.657 tors. eta vs tors. theta energy: -230.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2137.959619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.959619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.959619 (E_RNA) where: Base-Base interactions energy: -1291.780 where: short stacking energy: -788.017 Base-Backbone interact. energy: -4.064 local terms energy: -842.114933 where: bonds (distance) C4'-P energy: -174.723 bonds (distance) P-C4' energy: -174.825 flat angles C4'-P-C4' energy: -173.104 flat angles P-C4'-P energy: -123.814 tors. eta vs tors. theta energy: -195.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1903.286352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.286352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.286352 (E_RNA) where: Base-Base interactions energy: -1171.784 where: short stacking energy: -718.848 Base-Backbone interact. energy: -2.310 local terms energy: -729.191992 where: bonds (distance) C4'-P energy: -150.260 bonds (distance) P-C4' energy: -179.191 flat angles C4'-P-C4' energy: -161.643 flat angles P-C4'-P energy: -92.700 tors. eta vs tors. theta energy: -145.398 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: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1723.592237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.592237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.592237 (E_RNA) where: Base-Base interactions energy: -984.039 where: short stacking energy: -596.672 Base-Backbone interact. energy: 0.659 local terms energy: -740.212674 where: bonds (distance) C4'-P energy: -157.480 bonds (distance) P-C4' energy: -192.375 flat angles C4'-P-C4' energy: -174.201 flat angles P-C4'-P energy: -110.001 tors. eta vs tors. theta energy: -106.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1356.544279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.544279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.544279 (E_RNA) where: Base-Base interactions energy: -711.441 where: short stacking energy: -515.935 Base-Backbone interact. energy: -3.893 local terms energy: -641.210464 where: bonds (distance) C4'-P energy: -144.465 bonds (distance) P-C4' energy: -170.855 flat angles C4'-P-C4' energy: -155.139 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -72.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1073.334618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.334618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.334618 (E_RNA) where: Base-Base interactions energy: -507.890 where: short stacking energy: -377.964 Base-Backbone interact. energy: -4.276 local terms energy: -561.168798 where: bonds (distance) C4'-P energy: -138.170 bonds (distance) P-C4' energy: -151.489 flat angles C4'-P-C4' energy: -154.717 flat angles P-C4'-P energy: -91.112 tors. eta vs tors. theta energy: -25.682 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: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -983.918326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.918326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.918326 (E_RNA) where: Base-Base interactions energy: -454.408 where: short stacking energy: -356.523 Base-Backbone interact. energy: 7.287 local terms energy: -536.798069 where: bonds (distance) C4'-P energy: -155.322 bonds (distance) P-C4' energy: -135.923 flat angles C4'-P-C4' energy: -153.164 flat angles P-C4'-P energy: -74.850 tors. eta vs tors. theta energy: -17.539 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: 468 Temperature: 1.300000 Total energy: -895.657540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.657540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.657540 (E_RNA) where: Base-Base interactions energy: -395.565 where: short stacking energy: -316.624 Base-Backbone interact. energy: -1.862 local terms energy: -498.231127 where: bonds (distance) C4'-P energy: -135.329 bonds (distance) P-C4' energy: -149.826 flat angles C4'-P-C4' energy: -133.892 flat angles P-C4'-P energy: -86.816 tors. eta vs tors. theta energy: 7.631 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: 3 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -746.742378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.742378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.742378 (E_RNA) where: Base-Base interactions energy: -318.654 where: short stacking energy: -288.364 Base-Backbone interact. energy: -1.791 local terms energy: -426.297047 where: bonds (distance) C4'-P energy: -104.277 bonds (distance) P-C4' energy: -175.156 flat angles C4'-P-C4' energy: -96.045 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: 9.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2601.485766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.485766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.485766 (E_RNA) where: Base-Base interactions energy: -1633.417 where: short stacking energy: -978.812 Base-Backbone interact. energy: -2.347 local terms energy: -965.721204 where: bonds (distance) C4'-P energy: -177.450 bonds (distance) P-C4' energy: -190.831 flat angles C4'-P-C4' energy: -210.849 flat angles P-C4'-P energy: -142.273 tors. eta vs tors. theta energy: -244.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2361.063771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.063771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.063771 (E_RNA) where: Base-Base interactions energy: -1435.416 where: short stacking energy: -864.373 Base-Backbone interact. energy: -3.974 local terms energy: -921.674178 where: bonds (distance) C4'-P energy: -188.925 bonds (distance) P-C4' energy: -188.862 flat angles C4'-P-C4' energy: -197.501 flat angles P-C4'-P energy: -132.660 tors. eta vs tors. theta energy: -213.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2156.211178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.211178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.211178 (E_RNA) where: Base-Base interactions energy: -1310.917 where: short stacking energy: -813.963 Base-Backbone interact. energy: -2.508 local terms energy: -842.786016 where: bonds (distance) C4'-P energy: -159.129 bonds (distance) P-C4' energy: -194.362 flat angles C4'-P-C4' energy: -193.676 flat angles P-C4'-P energy: -113.836 tors. eta vs tors. theta energy: -181.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1949.742394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.742394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.742394 (E_RNA) where: Base-Base interactions energy: -1141.986 where: short stacking energy: -728.760 Base-Backbone interact. energy: -0.406 local terms energy: -807.350141 where: bonds (distance) C4'-P energy: -162.066 bonds (distance) P-C4' energy: -177.060 flat angles C4'-P-C4' energy: -183.422 flat angles P-C4'-P energy: -117.265 tors. eta vs tors. theta energy: -167.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1768.610708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.610708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.610708 (E_RNA) where: Base-Base interactions energy: -1005.305 where: short stacking energy: -634.721 Base-Backbone interact. energy: 0.664 local terms energy: -763.970212 where: bonds (distance) C4'-P energy: -153.774 bonds (distance) P-C4' energy: -173.149 flat angles C4'-P-C4' energy: -177.736 flat angles P-C4'-P energy: -133.954 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: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1347.342485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.342485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.342485 (E_RNA) where: Base-Base interactions energy: -741.965 where: short stacking energy: -509.210 Base-Backbone interact. energy: 5.502 local terms energy: -610.879660 where: bonds (distance) C4'-P energy: -174.535 bonds (distance) P-C4' energy: -137.330 flat angles C4'-P-C4' energy: -141.386 flat angles P-C4'-P energy: -91.953 tors. eta vs tors. theta energy: -65.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1165.594985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.594985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.594985 (E_RNA) where: Base-Base interactions energy: -588.840 where: short stacking energy: -404.014 Base-Backbone interact. energy: -2.765 local terms energy: -573.990740 where: bonds (distance) C4'-P energy: -158.617 bonds (distance) P-C4' energy: -155.410 flat angles C4'-P-C4' energy: -148.320 flat angles P-C4'-P energy: -86.649 tors. eta vs tors. theta energy: -24.994 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: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -893.273229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.273229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.273229 (E_RNA) where: Base-Base interactions energy: -389.956 where: short stacking energy: -354.994 Base-Backbone interact. energy: 3.091 local terms energy: -506.408687 where: bonds (distance) C4'-P energy: -136.972 bonds (distance) P-C4' energy: -173.375 flat angles C4'-P-C4' energy: -118.320 flat angles P-C4'-P energy: -80.899 tors. eta vs tors. theta energy: 3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -840.716472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.716472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.716472 (E_RNA) where: Base-Base interactions energy: -341.309 where: short stacking energy: -282.014 Base-Backbone interact. energy: -0.572 local terms energy: -498.835016 where: bonds (distance) C4'-P energy: -142.380 bonds (distance) P-C4' energy: -125.637 flat angles C4'-P-C4' energy: -153.759 flat angles P-C4'-P energy: -82.947 tors. eta vs tors. theta energy: 5.888 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: 469 Temperature: 1.350000 Total energy: -754.736334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.736334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.736334 (E_RNA) where: Base-Base interactions energy: -297.528 where: short stacking energy: -251.735 Base-Backbone interact. energy: 1.405 local terms energy: -458.613404 where: bonds (distance) C4'-P energy: -149.300 bonds (distance) P-C4' energy: -140.343 flat angles C4'-P-C4' energy: -133.019 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: 38.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2565.281468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.281468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.281468 (E_RNA) where: Base-Base interactions energy: -1620.590 where: short stacking energy: -972.503 Base-Backbone interact. energy: -2.208 local terms energy: -942.483488 where: bonds (distance) C4'-P energy: -165.482 bonds (distance) P-C4' energy: -185.480 flat angles C4'-P-C4' energy: -214.238 flat angles P-C4'-P energy: -131.178 tors. eta vs tors. theta energy: -246.106 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: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2366.568343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.568343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.568343 (E_RNA) where: Base-Base interactions energy: -1465.514 where: short stacking energy: -871.683 Base-Backbone interact. energy: -1.387 local terms energy: -899.666924 where: bonds (distance) C4'-P energy: -160.122 bonds (distance) P-C4' energy: -193.562 flat angles C4'-P-C4' energy: -195.382 flat angles P-C4'-P energy: -133.838 tors. eta vs tors. theta energy: -216.763 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: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2189.268391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.268391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.268391 (E_RNA) where: Base-Base interactions energy: -1326.953 where: short stacking energy: -818.336 Base-Backbone interact. energy: -6.332 local terms energy: -855.984119 where: bonds (distance) C4'-P energy: -159.473 bonds (distance) P-C4' energy: -188.250 flat angles C4'-P-C4' energy: -208.389 flat angles P-C4'-P energy: -105.532 tors. eta vs tors. theta energy: -194.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1939.919358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.919358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.919358 (E_RNA) where: Base-Base interactions energy: -1144.149 where: short stacking energy: -709.937 Base-Backbone interact. energy: -1.938 local terms energy: -793.831980 where: bonds (distance) C4'-P energy: -164.035 bonds (distance) P-C4' energy: -176.349 flat angles C4'-P-C4' energy: -194.961 flat angles P-C4'-P energy: -95.188 tors. eta vs tors. theta energy: -163.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1730.311068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.311068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.311068 (E_RNA) where: Base-Base interactions energy: -997.112 where: short stacking energy: -623.327 Base-Backbone interact. energy: 0.493 local terms energy: -733.692432 where: bonds (distance) C4'-P energy: -160.813 bonds (distance) P-C4' energy: -186.706 flat angles C4'-P-C4' energy: -175.555 flat angles P-C4'-P energy: -107.240 tors. eta vs tors. theta energy: -103.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1342.688183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.688183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.688183 (E_RNA) where: Base-Base interactions energy: -725.221 where: short stacking energy: -478.576 Base-Backbone interact. energy: 8.715 local terms energy: -626.182623 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -167.033 flat angles C4'-P-C4' energy: -139.715 flat angles P-C4'-P energy: -106.740 tors. eta vs tors. theta energy: -62.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1081.911548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.911548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.911548 (E_RNA) where: Base-Base interactions energy: -509.492 where: short stacking energy: -410.822 Base-Backbone interact. energy: 1.138 local terms energy: -573.557615 where: bonds (distance) C4'-P energy: -162.104 bonds (distance) P-C4' energy: -169.439 flat angles C4'-P-C4' energy: -119.886 flat angles P-C4'-P energy: -84.099 tors. eta vs tors. theta energy: -38.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -959.803314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.803314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.803314 (E_RNA) where: Base-Base interactions energy: -394.917 where: short stacking energy: -370.157 Base-Backbone interact. energy: 1.201 local terms energy: -566.087068 where: bonds (distance) C4'-P energy: -140.464 bonds (distance) P-C4' energy: -167.320 flat angles C4'-P-C4' energy: -139.881 flat angles P-C4'-P energy: -83.231 tors. eta vs tors. theta energy: -35.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -901.717298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.717298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.717298 (E_RNA) where: Base-Base interactions energy: -417.858 where: short stacking energy: -350.098 Base-Backbone interact. energy: 0.472 local terms energy: -484.331375 where: bonds (distance) C4'-P energy: -149.723 bonds (distance) P-C4' energy: -148.315 flat angles C4'-P-C4' energy: -121.010 flat angles P-C4'-P energy: -67.662 tors. eta vs tors. theta energy: 2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -764.779783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.779783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.779783 (E_RNA) where: Base-Base interactions energy: -323.971 where: short stacking energy: -281.560 Base-Backbone interact. energy: 2.820 local terms energy: -443.629601 where: bonds (distance) C4'-P energy: -124.041 bonds (distance) P-C4' energy: -126.133 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -89.980 tors. eta vs tors. theta energy: 30.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2590.614403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.614403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.614403 (E_RNA) where: Base-Base interactions energy: -1631.213 where: short stacking energy: -977.269 Base-Backbone interact. energy: -5.648 local terms energy: -953.753312 where: bonds (distance) C4'-P energy: -170.307 bonds (distance) P-C4' energy: -184.186 flat angles C4'-P-C4' energy: -197.913 flat angles P-C4'-P energy: -141.950 tors. eta vs tors. theta energy: -259.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2400.415806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.415806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.415806 (E_RNA) where: Base-Base interactions energy: -1490.328 where: short stacking energy: -925.900 Base-Backbone interact. energy: -1.668 local terms energy: -908.419986 where: bonds (distance) C4'-P energy: -167.160 bonds (distance) P-C4' energy: -174.372 flat angles C4'-P-C4' energy: -200.699 flat angles P-C4'-P energy: -134.566 tors. eta vs tors. theta energy: -231.622 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: 471 Temperature: 1.000000 Total energy: -2169.312946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.312946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.312946 (E_RNA) where: Base-Base interactions energy: -1303.592 where: short stacking energy: -809.744 Base-Backbone interact. energy: -3.111 local terms energy: -862.609931 where: bonds (distance) C4'-P energy: -172.372 bonds (distance) P-C4' energy: -176.050 flat angles C4'-P-C4' energy: -195.650 flat angles P-C4'-P energy: -129.269 tors. eta vs tors. theta energy: -189.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1899.708083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.708083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.708083 (E_RNA) where: Base-Base interactions energy: -1116.309 where: short stacking energy: -696.686 Base-Backbone interact. energy: -0.895 local terms energy: -782.503440 where: bonds (distance) C4'-P energy: -167.429 bonds (distance) P-C4' energy: -192.583 flat angles C4'-P-C4' energy: -170.551 flat angles P-C4'-P energy: -109.156 tors. eta vs tors. theta energy: -142.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1682.862720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.862720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.862720 (E_RNA) where: Base-Base interactions energy: -965.540 where: short stacking energy: -582.651 Base-Backbone interact. energy: -3.559 local terms energy: -713.763593 where: bonds (distance) C4'-P energy: -165.281 bonds (distance) P-C4' energy: -157.906 flat angles C4'-P-C4' energy: -184.957 flat angles P-C4'-P energy: -106.653 tors. eta vs tors. theta energy: -98.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1278.008097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.008097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.008097 (E_RNA) where: Base-Base interactions energy: -703.357 where: short stacking energy: -483.004 Base-Backbone interact. energy: -0.739 local terms energy: -573.911752 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -161.327 flat angles C4'-P-C4' energy: -158.347 flat angles P-C4'-P energy: -81.572 tors. eta vs tors. theta energy: -47.558 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: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1089.225092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.225092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.225092 (E_RNA) where: Base-Base interactions energy: -512.775 where: short stacking energy: -392.232 Base-Backbone interact. energy: -0.312 local terms energy: -576.138648 where: bonds (distance) C4'-P energy: -151.471 bonds (distance) P-C4' energy: -168.739 flat angles C4'-P-C4' energy: -146.477 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -19.469 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: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -927.217156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.217156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.217156 (E_RNA) where: Base-Base interactions energy: -413.177 where: short stacking energy: -342.646 Base-Backbone interact. energy: 5.968 local terms energy: -520.008144 where: bonds (distance) C4'-P energy: -144.185 bonds (distance) P-C4' energy: -160.960 flat angles C4'-P-C4' energy: -127.318 flat angles P-C4'-P energy: -74.453 tors. eta vs tors. theta energy: -13.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -814.625366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.625366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.625366 (E_RNA) where: Base-Base interactions energy: -320.572 where: short stacking energy: -307.297 Base-Backbone interact. energy: -0.954 local terms energy: -493.100279 where: bonds (distance) C4'-P energy: -141.387 bonds (distance) P-C4' energy: -155.811 flat angles C4'-P-C4' energy: -138.440 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -743.244463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.244463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.244463 (E_RNA) where: Base-Base interactions energy: -310.794 where: short stacking energy: -274.364 Base-Backbone interact. energy: 0.286 local terms energy: -432.737065 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -128.232 flat angles C4'-P-C4' energy: -133.421 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: 22.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2579.949925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.949925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.949925 (E_RNA) where: Base-Base interactions energy: -1619.735 where: short stacking energy: -974.615 Base-Backbone interact. energy: -2.684 local terms energy: -957.530805 where: bonds (distance) C4'-P energy: -177.833 bonds (distance) P-C4' energy: -185.518 flat angles C4'-P-C4' energy: -204.899 flat angles P-C4'-P energy: -139.021 tors. eta vs tors. theta energy: -250.260 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: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2393.008345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.008345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.008345 (E_RNA) where: Base-Base interactions energy: -1477.469 where: short stacking energy: -912.623 Base-Backbone interact. energy: 0.539 local terms energy: -916.077432 where: bonds (distance) C4'-P energy: -180.657 bonds (distance) P-C4' energy: -169.983 flat angles C4'-P-C4' energy: -207.725 flat angles P-C4'-P energy: -133.374 tors. eta vs tors. theta energy: -224.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2161.847055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.847055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.847055 (E_RNA) where: Base-Base interactions energy: -1313.473 where: short stacking energy: -830.028 Base-Backbone interact. energy: -1.830 local terms energy: -846.543959 where: bonds (distance) C4'-P energy: -161.820 bonds (distance) P-C4' energy: -173.297 flat angles C4'-P-C4' energy: -181.594 flat angles P-C4'-P energy: -141.684 tors. eta vs tors. theta energy: -188.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1875.141004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.141004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.141004 (E_RNA) where: Base-Base interactions energy: -1121.326 where: short stacking energy: -693.460 Base-Backbone interact. energy: -1.565 local terms energy: -752.249913 where: bonds (distance) C4'-P energy: -147.815 bonds (distance) P-C4' energy: -171.131 flat angles C4'-P-C4' energy: -171.722 flat angles P-C4'-P energy: -106.557 tors. eta vs tors. theta energy: -155.025 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: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1679.974129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.974129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.974129 (E_RNA) where: Base-Base interactions energy: -968.723 where: short stacking energy: -614.368 Base-Backbone interact. energy: -3.061 local terms energy: -708.190425 where: bonds (distance) C4'-P energy: -156.302 bonds (distance) P-C4' energy: -167.924 flat angles C4'-P-C4' energy: -168.975 flat angles P-C4'-P energy: -102.705 tors. eta vs tors. theta energy: -112.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1323.039879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.039879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.039879 (E_RNA) where: Base-Base interactions energy: -665.975 where: short stacking energy: -495.544 Base-Backbone interact. energy: 0.587 local terms energy: -657.651269 where: bonds (distance) C4'-P energy: -164.598 bonds (distance) P-C4' energy: -165.050 flat angles C4'-P-C4' energy: -166.088 flat angles P-C4'-P energy: -98.097 tors. eta vs tors. theta energy: -63.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1114.118417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.118417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.118417 (E_RNA) where: Base-Base interactions energy: -510.865 where: short stacking energy: -398.453 Base-Backbone interact. energy: -2.677 local terms energy: -600.576523 where: bonds (distance) C4'-P energy: -140.961 bonds (distance) P-C4' energy: -165.124 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -92.450 tors. eta vs tors. theta energy: -51.649 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: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -966.076595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.076595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.076595 (E_RNA) where: Base-Base interactions energy: -426.003 where: short stacking energy: -374.915 Base-Backbone interact. energy: -0.244 local terms energy: -539.828974 where: bonds (distance) C4'-P energy: -139.167 bonds (distance) P-C4' energy: -155.954 flat angles C4'-P-C4' energy: -134.821 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -18.246 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: 472 Temperature: 1.300000 Total energy: -830.622319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.622319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.622319 (E_RNA) where: Base-Base interactions energy: -319.154 where: short stacking energy: -284.493 Base-Backbone interact. energy: 1.079 local terms energy: -512.547547 where: bonds (distance) C4'-P energy: -141.217 bonds (distance) P-C4' energy: -169.413 flat angles C4'-P-C4' energy: -120.853 flat angles P-C4'-P energy: -88.092 tors. eta vs tors. theta energy: 7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -775.749851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.749851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.749851 (E_RNA) where: Base-Base interactions energy: -310.431 where: short stacking energy: -263.125 Base-Backbone interact. energy: 5.020 local terms energy: -470.338465 where: bonds (distance) C4'-P energy: -154.986 bonds (distance) P-C4' energy: -146.662 flat angles C4'-P-C4' energy: -112.250 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: 14.222 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: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2554.665144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.665144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.665144 (E_RNA) where: Base-Base interactions energy: -1606.783 where: short stacking energy: -968.779 Base-Backbone interact. energy: -2.246 local terms energy: -945.635804 where: bonds (distance) C4'-P energy: -182.514 bonds (distance) P-C4' energy: -195.145 flat angles C4'-P-C4' energy: -202.568 flat angles P-C4'-P energy: -133.806 tors. eta vs tors. theta energy: -231.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2424.390998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.390998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.390998 (E_RNA) where: Base-Base interactions energy: -1523.170 where: short stacking energy: -902.372 Base-Backbone interact. energy: -0.232 local terms energy: -900.988607 where: bonds (distance) C4'-P energy: -160.098 bonds (distance) P-C4' energy: -180.160 flat angles C4'-P-C4' energy: -194.174 flat angles P-C4'-P energy: -123.722 tors. eta vs tors. theta energy: -242.835 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: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2124.257428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.257428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.257428 (E_RNA) where: Base-Base interactions energy: -1254.740 where: short stacking energy: -813.155 Base-Backbone interact. energy: -2.864 local terms energy: -866.653339 where: bonds (distance) C4'-P energy: -169.198 bonds (distance) P-C4' energy: -178.928 flat angles C4'-P-C4' energy: -194.236 flat angles P-C4'-P energy: -123.196 tors. eta vs tors. theta energy: -201.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1833.085544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.085544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.085544 (E_RNA) where: Base-Base interactions energy: -1081.521 where: short stacking energy: -697.961 Base-Backbone interact. energy: -0.866 local terms energy: -750.699079 where: bonds (distance) C4'-P energy: -167.298 bonds (distance) P-C4' energy: -175.404 flat angles C4'-P-C4' energy: -168.887 flat angles P-C4'-P energy: -102.959 tors. eta vs tors. theta energy: -136.152 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: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1688.443347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.443347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.443347 (E_RNA) where: Base-Base interactions energy: -1012.552 where: short stacking energy: -627.390 Base-Backbone interact. energy: 1.185 local terms energy: -677.076790 where: bonds (distance) C4'-P energy: -155.668 bonds (distance) P-C4' energy: -160.730 flat angles C4'-P-C4' energy: -164.248 flat angles P-C4'-P energy: -88.651 tors. eta vs tors. theta energy: -107.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1332.980992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.980992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.980992 (E_RNA) where: Base-Base interactions energy: -716.107 where: short stacking energy: -479.304 Base-Backbone interact. energy: -2.434 local terms energy: -614.440302 where: bonds (distance) C4'-P energy: -165.459 bonds (distance) P-C4' energy: -175.667 flat angles C4'-P-C4' energy: -143.297 flat angles P-C4'-P energy: -84.073 tors. eta vs tors. theta energy: -45.944 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: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1097.972139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.972139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.972139 (E_RNA) where: Base-Base interactions energy: -562.564 where: short stacking energy: -452.166 Base-Backbone interact. energy: 0.001 local terms energy: -535.408921 where: bonds (distance) C4'-P energy: -125.104 bonds (distance) P-C4' energy: -151.507 flat angles C4'-P-C4' energy: -135.052 flat angles P-C4'-P energy: -92.664 tors. eta vs tors. theta energy: -31.081 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: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1014.790600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.790600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.790600 (E_RNA) where: Base-Base interactions energy: -448.331 where: short stacking energy: -358.163 Base-Backbone interact. energy: 1.350 local terms energy: -567.809482 where: bonds (distance) C4'-P energy: -152.940 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -147.028 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -34.965 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: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -910.648407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.648407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.648407 (E_RNA) where: Base-Base interactions energy: -432.311 where: short stacking energy: -374.441 Base-Backbone interact. energy: -0.896 local terms energy: -477.441489 where: bonds (distance) C4'-P energy: -132.411 bonds (distance) P-C4' energy: -141.934 flat angles C4'-P-C4' energy: -115.563 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -35.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -768.967747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.967747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.967747 (E_RNA) where: Base-Base interactions energy: -306.857 where: short stacking energy: -277.342 Base-Backbone interact. energy: -2.884 local terms energy: -459.226475 where: bonds (distance) C4'-P energy: -135.492 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -107.480 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: 2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2549.152166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.152166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.152166 (E_RNA) where: Base-Base interactions energy: -1606.893 where: short stacking energy: -951.383 Base-Backbone interact. energy: -4.237 local terms energy: -938.022589 where: bonds (distance) C4'-P energy: -172.740 bonds (distance) P-C4' energy: -190.299 flat angles C4'-P-C4' energy: -211.398 flat angles P-C4'-P energy: -126.112 tors. eta vs tors. theta energy: -237.474 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: 474 Temperature: 0.950000 Total energy: -2426.129293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.129293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.129293 (E_RNA) where: Base-Base interactions energy: -1476.910 where: short stacking energy: -907.469 Base-Backbone interact. energy: 1.846 local terms energy: -951.064932 where: bonds (distance) C4'-P energy: -187.038 bonds (distance) P-C4' energy: -193.360 flat angles C4'-P-C4' energy: -209.228 flat angles P-C4'-P energy: -133.037 tors. eta vs tors. theta energy: -228.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2149.344399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.344399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.344399 (E_RNA) where: Base-Base interactions energy: -1329.556 where: short stacking energy: -833.226 Base-Backbone interact. energy: -0.772 local terms energy: -819.017282 where: bonds (distance) C4'-P energy: -154.359 bonds (distance) P-C4' energy: -185.794 flat angles C4'-P-C4' energy: -183.659 flat angles P-C4'-P energy: -120.172 tors. eta vs tors. theta energy: -175.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1800.552414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.552414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.552414 (E_RNA) where: Base-Base interactions energy: -1073.790 where: short stacking energy: -657.112 Base-Backbone interact. energy: 2.653 local terms energy: -729.415653 where: bonds (distance) C4'-P energy: -164.544 bonds (distance) P-C4' energy: -170.515 flat angles C4'-P-C4' energy: -164.885 flat angles P-C4'-P energy: -103.060 tors. eta vs tors. theta energy: -126.411 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: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1682.565439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.565439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.565439 (E_RNA) where: Base-Base interactions energy: -982.393 where: short stacking energy: -588.192 Base-Backbone interact. energy: -1.624 local terms energy: -698.547995 where: bonds (distance) C4'-P energy: -168.164 bonds (distance) P-C4' energy: -176.054 flat angles C4'-P-C4' energy: -151.714 flat angles P-C4'-P energy: -101.612 tors. eta vs tors. theta energy: -101.004 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: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1371.558518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.558518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.558518 (E_RNA) where: Base-Base interactions energy: -710.526 where: short stacking energy: -502.076 Base-Backbone interact. energy: -2.588 local terms energy: -658.444538 where: bonds (distance) C4'-P energy: -160.610 bonds (distance) P-C4' energy: -164.969 flat angles C4'-P-C4' energy: -136.838 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -87.311 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: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1061.026283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.026283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.026283 (E_RNA) where: Base-Base interactions energy: -492.251 where: short stacking energy: -395.842 Base-Backbone interact. energy: 2.109 local terms energy: -570.884738 where: bonds (distance) C4'-P energy: -150.437 bonds (distance) P-C4' energy: -174.099 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -79.894 tors. eta vs tors. theta energy: -40.113 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: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -935.126834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.126834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.126834 (E_RNA) where: Base-Base interactions energy: -421.578 where: short stacking energy: -305.052 Base-Backbone interact. energy: 1.166 local terms energy: -514.714811 where: bonds (distance) C4'-P energy: -151.261 bonds (distance) P-C4' energy: -148.550 flat angles C4'-P-C4' energy: -148.929 flat angles P-C4'-P energy: -75.152 tors. eta vs tors. theta energy: 9.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -876.342122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.342122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.342122 (E_RNA) where: Base-Base interactions energy: -379.384 where: short stacking energy: -313.854 Base-Backbone interact. energy: 1.537 local terms energy: -498.494614 where: bonds (distance) C4'-P energy: -132.138 bonds (distance) P-C4' energy: -149.745 flat angles C4'-P-C4' energy: -127.167 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -7.075 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: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -773.556151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.556151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.556151 (E_RNA) where: Base-Base interactions energy: -289.523 where: short stacking energy: -252.565 Base-Backbone interact. energy: 2.889 local terms energy: -486.922244 where: bonds (distance) C4'-P energy: -141.011 bonds (distance) P-C4' energy: -158.693 flat angles C4'-P-C4' energy: -130.929 flat angles P-C4'-P energy: -64.097 tors. eta vs tors. theta energy: 7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2579.779141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.779141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.779141 (E_RNA) where: Base-Base interactions energy: -1623.032 where: short stacking energy: -958.685 Base-Backbone interact. energy: -4.215 local terms energy: -952.531807 where: bonds (distance) C4'-P energy: -172.345 bonds (distance) P-C4' energy: -190.963 flat angles C4'-P-C4' energy: -205.671 flat angles P-C4'-P energy: -133.932 tors. eta vs tors. theta energy: -249.621 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: 475 Temperature: 0.950000 Total energy: -2401.865420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.865420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.865420 (E_RNA) where: Base-Base interactions energy: -1455.884 where: short stacking energy: -906.889 Base-Backbone interact. energy: -5.535 local terms energy: -940.445716 where: bonds (distance) C4'-P energy: -186.078 bonds (distance) P-C4' energy: -184.220 flat angles C4'-P-C4' energy: -208.888 flat angles P-C4'-P energy: -135.724 tors. eta vs tors. theta energy: -225.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2173.796017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.796017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.796017 (E_RNA) where: Base-Base interactions energy: -1331.304 where: short stacking energy: -791.574 Base-Backbone interact. energy: -5.730 local terms energy: -836.761684 where: bonds (distance) C4'-P energy: -169.086 bonds (distance) P-C4' energy: -180.138 flat angles C4'-P-C4' energy: -188.311 flat angles P-C4'-P energy: -123.613 tors. eta vs tors. theta energy: -175.615 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: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1799.153896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.153896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.153896 (E_RNA) where: Base-Base interactions energy: -1050.489 where: short stacking energy: -681.763 Base-Backbone interact. energy: -2.194 local terms energy: -746.471161 where: bonds (distance) C4'-P energy: -168.420 bonds (distance) P-C4' energy: -156.530 flat angles C4'-P-C4' energy: -165.505 flat angles P-C4'-P energy: -117.310 tors. eta vs tors. theta energy: -138.707 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: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1684.937699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.937699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.937699 (E_RNA) where: Base-Base interactions energy: -968.879 where: short stacking energy: -605.735 Base-Backbone interact. energy: -2.028 local terms energy: -714.030291 where: bonds (distance) C4'-P energy: -164.224 bonds (distance) P-C4' energy: -180.148 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -68.145 tors. eta vs tors. theta energy: -121.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1374.133093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.133093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.133093 (E_RNA) where: Base-Base interactions energy: -713.411 where: short stacking energy: -496.362 Base-Backbone interact. energy: 9.038 local terms energy: -669.759858 where: bonds (distance) C4'-P energy: -149.799 bonds (distance) P-C4' energy: -179.382 flat angles C4'-P-C4' energy: -160.317 flat angles P-C4'-P energy: -105.930 tors. eta vs tors. theta energy: -74.333 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: 475 Temperature: 1.200000 Total energy: -1184.299111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.299111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.299111 (E_RNA) where: Base-Base interactions energy: -558.815 where: short stacking energy: -476.115 Base-Backbone interact. energy: -4.636 local terms energy: -620.848785 where: bonds (distance) C4'-P energy: -161.869 bonds (distance) P-C4' energy: -168.546 flat angles C4'-P-C4' energy: -143.664 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: -69.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -963.361123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.361123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.361123 (E_RNA) where: Base-Base interactions energy: -430.048 where: short stacking energy: -334.567 Base-Backbone interact. energy: 0.143 local terms energy: -533.456001 where: bonds (distance) C4'-P energy: -165.868 bonds (distance) P-C4' energy: -147.811 flat angles C4'-P-C4' energy: -130.286 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -23.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -891.373842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.373842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.373842 (E_RNA) where: Base-Base interactions energy: -378.496 where: short stacking energy: -304.474 Base-Backbone interact. energy: 0.374 local terms energy: -513.251317 where: bonds (distance) C4'-P energy: -169.711 bonds (distance) P-C4' energy: -137.578 flat angles C4'-P-C4' energy: -138.468 flat angles P-C4'-P energy: -71.985 tors. eta vs tors. theta energy: 4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -765.338285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.338285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.338285 (E_RNA) where: Base-Base interactions energy: -289.673 where: short stacking energy: -263.188 Base-Backbone interact. energy: -4.009 local terms energy: -471.656157 where: bonds (distance) C4'-P energy: -135.528 bonds (distance) P-C4' energy: -158.497 flat angles C4'-P-C4' energy: -136.064 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: 28.044 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: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2582.855635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.855635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.855635 (E_RNA) where: Base-Base interactions energy: -1589.892 where: short stacking energy: -959.425 Base-Backbone interact. energy: -7.481 local terms energy: -985.482119 where: bonds (distance) C4'-P energy: -178.014 bonds (distance) P-C4' energy: -192.133 flat angles C4'-P-C4' energy: -217.840 flat angles P-C4'-P energy: -139.502 tors. eta vs tors. theta energy: -257.992 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: 7 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2359.737001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.737001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.737001 (E_RNA) where: Base-Base interactions energy: -1454.433 where: short stacking energy: -881.177 Base-Backbone interact. energy: -0.387 local terms energy: -904.917342 where: bonds (distance) C4'-P energy: -165.070 bonds (distance) P-C4' energy: -181.789 flat angles C4'-P-C4' energy: -207.207 flat angles P-C4'-P energy: -129.669 tors. eta vs tors. theta energy: -221.182 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: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2165.570998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.570998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.570998 (E_RNA) where: Base-Base interactions energy: -1340.322 where: short stacking energy: -795.846 Base-Backbone interact. energy: -6.046 local terms energy: -819.203342 where: bonds (distance) C4'-P energy: -168.726 bonds (distance) P-C4' energy: -189.366 flat angles C4'-P-C4' energy: -164.331 flat angles P-C4'-P energy: -114.284 tors. eta vs tors. theta energy: -182.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1762.684475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.684475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.684475 (E_RNA) where: Base-Base interactions energy: -1042.717 where: short stacking energy: -687.434 Base-Backbone interact. energy: -3.314 local terms energy: -716.654262 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -158.036 flat angles C4'-P-C4' energy: -165.881 flat angles P-C4'-P energy: -91.360 tors. eta vs tors. theta energy: -150.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1635.967449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.967449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.967449 (E_RNA) where: Base-Base interactions energy: -946.601 where: short stacking energy: -613.030 Base-Backbone interact. energy: -4.505 local terms energy: -684.861399 where: bonds (distance) C4'-P energy: -148.362 bonds (distance) P-C4' energy: -170.482 flat angles C4'-P-C4' energy: -154.742 flat angles P-C4'-P energy: -108.012 tors. eta vs tors. theta energy: -103.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1357.401566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.401566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.401566 (E_RNA) where: Base-Base interactions energy: -710.278 where: short stacking energy: -536.726 Base-Backbone interact. energy: 5.861 local terms energy: -652.983600 where: bonds (distance) C4'-P energy: -155.050 bonds (distance) P-C4' energy: -156.763 flat angles C4'-P-C4' energy: -158.771 flat angles P-C4'-P energy: -101.690 tors. eta vs tors. theta energy: -80.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1067.663275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.663275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.663275 (E_RNA) where: Base-Base interactions energy: -508.637 where: short stacking energy: -415.530 Base-Backbone interact. energy: -1.659 local terms energy: -557.366714 where: bonds (distance) C4'-P energy: -137.555 bonds (distance) P-C4' energy: -170.285 flat angles C4'-P-C4' energy: -138.697 flat angles P-C4'-P energy: -65.518 tors. eta vs tors. theta energy: -45.311 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: 476 Temperature: 1.250000 Total energy: -988.424093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.424093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.424093 (E_RNA) where: Base-Base interactions energy: -463.614 where: short stacking energy: -365.290 Base-Backbone interact. energy: 2.900 local terms energy: -527.710197 where: bonds (distance) C4'-P energy: -134.350 bonds (distance) P-C4' energy: -160.378 flat angles C4'-P-C4' energy: -154.296 flat angles P-C4'-P energy: -69.791 tors. eta vs tors. theta energy: -8.895 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: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -834.829852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.829852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.829852 (E_RNA) where: Base-Base interactions energy: -324.101 where: short stacking energy: -300.423 Base-Backbone interact. energy: 7.884 local terms energy: -518.612952 where: bonds (distance) C4'-P energy: -137.062 bonds (distance) P-C4' energy: -151.711 flat angles C4'-P-C4' energy: -136.430 flat angles P-C4'-P energy: -87.791 tors. eta vs tors. theta energy: -5.619 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: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -756.953115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.953115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.953115 (E_RNA) where: Base-Base interactions energy: -274.830 where: short stacking energy: -237.140 Base-Backbone interact. energy: 0.393 local terms energy: -482.516215 where: bonds (distance) C4'-P energy: -135.820 bonds (distance) P-C4' energy: -161.554 flat angles C4'-P-C4' energy: -127.555 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: 11.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2600.841272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.841272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.841272 (E_RNA) where: Base-Base interactions energy: -1650.837 where: short stacking energy: -942.660 Base-Backbone interact. energy: -5.153 local terms energy: -944.850821 where: bonds (distance) C4'-P energy: -181.842 bonds (distance) P-C4' energy: -176.771 flat angles C4'-P-C4' energy: -200.517 flat angles P-C4'-P energy: -132.183 tors. eta vs tors. theta energy: -253.537 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: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2351.867919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.867919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.867919 (E_RNA) where: Base-Base interactions energy: -1433.285 where: short stacking energy: -881.851 Base-Backbone interact. energy: -2.363 local terms energy: -916.219300 where: bonds (distance) C4'-P energy: -182.584 bonds (distance) P-C4' energy: -196.877 flat angles C4'-P-C4' energy: -199.202 flat angles P-C4'-P energy: -122.419 tors. eta vs tors. theta energy: -215.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2176.080014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.080014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.080014 (E_RNA) where: Base-Base interactions energy: -1335.830 where: short stacking energy: -806.892 Base-Backbone interact. energy: 1.269 local terms energy: -841.519168 where: bonds (distance) C4'-P energy: -152.062 bonds (distance) P-C4' energy: -171.772 flat angles C4'-P-C4' energy: -192.065 flat angles P-C4'-P energy: -137.523 tors. eta vs tors. theta energy: -188.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1860.368743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.368743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.368743 (E_RNA) where: Base-Base interactions energy: -1115.886 where: short stacking energy: -706.128 Base-Backbone interact. energy: -2.649 local terms energy: -741.833190 where: bonds (distance) C4'-P energy: -154.690 bonds (distance) P-C4' energy: -175.378 flat angles C4'-P-C4' energy: -166.328 flat angles P-C4'-P energy: -101.033 tors. eta vs tors. theta energy: -144.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1663.780010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.780010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.780010 (E_RNA) where: Base-Base interactions energy: -978.839 where: short stacking energy: -625.179 Base-Backbone interact. energy: -3.377 local terms energy: -681.564472 where: bonds (distance) C4'-P energy: -167.117 bonds (distance) P-C4' energy: -140.371 flat angles C4'-P-C4' energy: -160.265 flat angles P-C4'-P energy: -88.712 tors. eta vs tors. theta energy: -125.099 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: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1293.665216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.665216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.665216 (E_RNA) where: Base-Base interactions energy: -665.068 where: short stacking energy: -473.859 Base-Backbone interact. energy: 1.347 local terms energy: -629.945043 where: bonds (distance) C4'-P energy: -139.115 bonds (distance) P-C4' energy: -173.905 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -63.003 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: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1014.446508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.446508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.446508 (E_RNA) where: Base-Base interactions energy: -473.158 where: short stacking energy: -388.420 Base-Backbone interact. energy: 5.513 local terms energy: -546.800944 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -154.390 flat angles C4'-P-C4' energy: -146.567 flat angles P-C4'-P energy: -91.573 tors. eta vs tors. theta energy: -24.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -941.226720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.226720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.226720 (E_RNA) where: Base-Base interactions energy: -431.642 where: short stacking energy: -353.148 Base-Backbone interact. energy: 1.030 local terms energy: -510.614307 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -142.701 flat angles C4'-P-C4' energy: -136.385 flat angles P-C4'-P energy: -70.050 tors. eta vs tors. theta energy: -15.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -904.105736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.105736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.105736 (E_RNA) where: Base-Base interactions energy: -400.540 where: short stacking energy: -322.286 Base-Backbone interact. energy: -0.276 local terms energy: -503.289574 where: bonds (distance) C4'-P energy: -141.128 bonds (distance) P-C4' energy: -158.487 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: 4.182 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: 477 Temperature: 1.350000 Total energy: -764.444698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.444698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.444698 (E_RNA) where: Base-Base interactions energy: -299.159 where: short stacking energy: -286.843 Base-Backbone interact. energy: 2.643 local terms energy: -467.929093 where: bonds (distance) C4'-P energy: -140.126 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -116.061 flat angles P-C4'-P energy: -75.724 tors. eta vs tors. theta energy: 9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2560.702480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.702480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.702480 (E_RNA) where: Base-Base interactions energy: -1623.568 where: short stacking energy: -947.693 Base-Backbone interact. energy: -4.766 local terms energy: -932.368832 where: bonds (distance) C4'-P energy: -166.512 bonds (distance) P-C4' energy: -173.691 flat angles C4'-P-C4' energy: -209.748 flat angles P-C4'-P energy: -135.339 tors. eta vs tors. theta energy: -247.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2349.510291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.510291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.510291 (E_RNA) where: Base-Base interactions energy: -1454.672 where: short stacking energy: -883.235 Base-Backbone interact. energy: -1.751 local terms energy: -893.087705 where: bonds (distance) C4'-P energy: -168.091 bonds (distance) P-C4' energy: -184.783 flat angles C4'-P-C4' energy: -197.515 flat angles P-C4'-P energy: -132.115 tors. eta vs tors. theta energy: -210.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2223.253621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.253621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.253621 (E_RNA) where: Base-Base interactions energy: -1372.457 where: short stacking energy: -799.199 Base-Backbone interact. energy: -1.869 local terms energy: -848.927678 where: bonds (distance) C4'-P energy: -155.891 bonds (distance) P-C4' energy: -173.138 flat angles C4'-P-C4' energy: -206.826 flat angles P-C4'-P energy: -114.590 tors. eta vs tors. theta energy: -198.483 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: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1877.669264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.669264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.669264 (E_RNA) where: Base-Base interactions energy: -1104.465 where: short stacking energy: -697.226 Base-Backbone interact. energy: -0.363 local terms energy: -772.840661 where: bonds (distance) C4'-P energy: -160.263 bonds (distance) P-C4' energy: -166.351 flat angles C4'-P-C4' energy: -173.322 flat angles P-C4'-P energy: -118.556 tors. eta vs tors. theta energy: -154.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1716.398271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.398271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.398271 (E_RNA) where: Base-Base interactions energy: -967.773 where: short stacking energy: -632.436 Base-Backbone interact. energy: -2.089 local terms energy: -746.536240 where: bonds (distance) C4'-P energy: -167.974 bonds (distance) P-C4' energy: -168.769 flat angles C4'-P-C4' energy: -176.286 flat angles P-C4'-P energy: -115.058 tors. eta vs tors. theta energy: -118.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1335.585792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.585792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.585792 (E_RNA) where: Base-Base interactions energy: -677.305 where: short stacking energy: -476.308 Base-Backbone interact. energy: -2.815 local terms energy: -655.465781 where: bonds (distance) C4'-P energy: -161.500 bonds (distance) P-C4' energy: -158.833 flat angles C4'-P-C4' energy: -155.089 flat angles P-C4'-P energy: -108.832 tors. eta vs tors. theta energy: -71.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1062.283721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.283721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.283721 (E_RNA) where: Base-Base interactions energy: -488.631 where: short stacking energy: -443.815 Base-Backbone interact. energy: -0.970 local terms energy: -572.682704 where: bonds (distance) C4'-P energy: -148.965 bonds (distance) P-C4' energy: -153.748 flat angles C4'-P-C4' energy: -170.723 flat angles P-C4'-P energy: -69.839 tors. eta vs tors. theta energy: -29.409 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: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -938.544992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.544992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.544992 (E_RNA) where: Base-Base interactions energy: -407.566 where: short stacking energy: -337.587 Base-Backbone interact. energy: -2.915 local terms energy: -528.064489 where: bonds (distance) C4'-P energy: -148.541 bonds (distance) P-C4' energy: -168.008 flat angles C4'-P-C4' energy: -113.744 flat angles P-C4'-P energy: -83.128 tors. eta vs tors. theta energy: -14.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -812.496458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.496458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.496458 (E_RNA) where: Base-Base interactions energy: -326.421 where: short stacking energy: -279.131 Base-Backbone interact. energy: -3.266 local terms energy: -482.809628 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -134.752 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -71.293 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -741.447741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.447741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.447741 (E_RNA) where: Base-Base interactions energy: -275.984 where: short stacking energy: -241.551 Base-Backbone interact. energy: 2.812 local terms energy: -468.276278 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -138.711 flat angles C4'-P-C4' energy: -144.491 flat angles P-C4'-P energy: -84.821 tors. eta vs tors. theta energy: 21.461 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: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2596.464092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.464092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.464092 (E_RNA) where: Base-Base interactions energy: -1638.313 where: short stacking energy: -980.719 Base-Backbone interact. energy: -1.560 local terms energy: -956.590993 where: bonds (distance) C4'-P energy: -165.281 bonds (distance) P-C4' energy: -190.630 flat angles C4'-P-C4' energy: -211.897 flat angles P-C4'-P energy: -139.979 tors. eta vs tors. theta energy: -248.803 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: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2419.229754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.229754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.229754 (E_RNA) where: Base-Base interactions energy: -1500.509 where: short stacking energy: -890.875 Base-Backbone interact. energy: -1.902 local terms energy: -916.818757 where: bonds (distance) C4'-P energy: -181.124 bonds (distance) P-C4' energy: -182.204 flat angles C4'-P-C4' energy: -187.835 flat angles P-C4'-P energy: -128.627 tors. eta vs tors. theta energy: -237.029 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: 3, replica: 4 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2178.103792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.103792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.103792 (E_RNA) where: Base-Base interactions energy: -1367.946 where: short stacking energy: -839.043 Base-Backbone interact. energy: -1.473 local terms energy: -808.684902 where: bonds (distance) C4'-P energy: -144.938 bonds (distance) P-C4' energy: -176.403 flat angles C4'-P-C4' energy: -180.190 flat angles P-C4'-P energy: -120.590 tors. eta vs tors. theta energy: -186.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1866.834413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.834413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.834413 (E_RNA) where: Base-Base interactions energy: -1116.861 where: short stacking energy: -738.409 Base-Backbone interact. energy: -0.672 local terms energy: -749.301047 where: bonds (distance) C4'-P energy: -126.863 bonds (distance) P-C4' energy: -188.489 flat angles C4'-P-C4' energy: -182.507 flat angles P-C4'-P energy: -104.372 tors. eta vs tors. theta energy: -147.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1706.273106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.273106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.273106 (E_RNA) where: Base-Base interactions energy: -1009.756 where: short stacking energy: -631.539 Base-Backbone interact. energy: 6.636 local terms energy: -703.153041 where: bonds (distance) C4'-P energy: -166.382 bonds (distance) P-C4' energy: -152.553 flat angles C4'-P-C4' energy: -147.691 flat angles P-C4'-P energy: -107.181 tors. eta vs tors. theta energy: -129.346 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: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1289.587620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.587620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.587620 (E_RNA) where: Base-Base interactions energy: -698.287 where: short stacking energy: -527.447 Base-Backbone interact. energy: -4.082 local terms energy: -587.219100 where: bonds (distance) C4'-P energy: -133.144 bonds (distance) P-C4' energy: -143.845 flat angles C4'-P-C4' energy: -155.082 flat angles P-C4'-P energy: -102.255 tors. eta vs tors. theta energy: -52.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -979.343074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.343074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.343074 (E_RNA) where: Base-Base interactions energy: -404.347 where: short stacking energy: -377.909 Base-Backbone interact. energy: -4.355 local terms energy: -570.640789 where: bonds (distance) C4'-P energy: -148.141 bonds (distance) P-C4' energy: -169.732 flat angles C4'-P-C4' energy: -142.349 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -27.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -969.292288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.292288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.292288 (E_RNA) where: Base-Base interactions energy: -441.723 where: short stacking energy: -342.979 Base-Backbone interact. energy: 0.069 local terms energy: -527.638095 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -156.315 flat angles C4'-P-C4' energy: -140.129 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -6.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -796.865836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.865836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.865836 (E_RNA) where: Base-Base interactions energy: -329.713 where: short stacking energy: -267.116 Base-Backbone interact. energy: -2.956 local terms energy: -464.197107 where: bonds (distance) C4'-P energy: -147.875 bonds (distance) P-C4' energy: -155.991 flat angles C4'-P-C4' energy: -103.392 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: 11.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -779.301585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.301585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.301585 (E_RNA) where: Base-Base interactions energy: -301.387 where: short stacking energy: -272.430 Base-Backbone interact. energy: 4.772 local terms energy: -482.686591 where: bonds (distance) C4'-P energy: -138.487 bonds (distance) P-C4' energy: -155.909 flat angles C4'-P-C4' energy: -116.263 flat angles P-C4'-P energy: -68.677 tors. eta vs tors. theta energy: -3.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2570.821119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.821119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.821119 (E_RNA) where: Base-Base interactions energy: -1606.835 where: short stacking energy: -954.536 Base-Backbone interact. energy: -6.018 local terms energy: -957.967880 where: bonds (distance) C4'-P energy: -179.359 bonds (distance) P-C4' energy: -170.837 flat angles C4'-P-C4' energy: -204.524 flat angles P-C4'-P energy: -148.677 tors. eta vs tors. theta energy: -254.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2385.570051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.570051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.570051 (E_RNA) where: Base-Base interactions energy: -1480.920 where: short stacking energy: -877.567 Base-Backbone interact. energy: 0.838 local terms energy: -905.488480 where: bonds (distance) C4'-P energy: -165.983 bonds (distance) P-C4' energy: -195.947 flat angles C4'-P-C4' energy: -191.985 flat angles P-C4'-P energy: -119.267 tors. eta vs tors. theta energy: -232.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2220.807876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.807876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.807876 (E_RNA) where: Base-Base interactions energy: -1367.232 where: short stacking energy: -840.611 Base-Backbone interact. energy: -6.653 local terms energy: -846.923566 where: bonds (distance) C4'-P energy: -177.442 bonds (distance) P-C4' energy: -164.004 flat angles C4'-P-C4' energy: -187.551 flat angles P-C4'-P energy: -113.892 tors. eta vs tors. theta energy: -204.035 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: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1843.691105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.691105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.691105 (E_RNA) where: Base-Base interactions energy: -1050.603 where: short stacking energy: -670.531 Base-Backbone interact. energy: -0.244 local terms energy: -792.844484 where: bonds (distance) C4'-P energy: -168.830 bonds (distance) P-C4' energy: -180.650 flat angles C4'-P-C4' energy: -188.912 flat angles P-C4'-P energy: -112.201 tors. eta vs tors. theta energy: -142.251 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: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1658.834103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.834103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.834103 (E_RNA) where: Base-Base interactions energy: -942.216 where: short stacking energy: -609.566 Base-Backbone interact. energy: -6.136 local terms energy: -710.482707 where: bonds (distance) C4'-P energy: -173.272 bonds (distance) P-C4' energy: -156.780 flat angles C4'-P-C4' energy: -158.809 flat angles P-C4'-P energy: -108.595 tors. eta vs tors. theta energy: -113.027 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: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1414.391146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.391146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.391146 (E_RNA) where: Base-Base interactions energy: -773.196 where: short stacking energy: -511.393 Base-Backbone interact. energy: 3.666 local terms energy: -644.861707 where: bonds (distance) C4'-P energy: -134.882 bonds (distance) P-C4' energy: -160.469 flat angles C4'-P-C4' energy: -147.864 flat angles P-C4'-P energy: -111.753 tors. eta vs tors. theta energy: -89.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1010.381439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.381439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.381439 (E_RNA) where: Base-Base interactions energy: -457.652 where: short stacking energy: -375.409 Base-Backbone interact. energy: 2.313 local terms energy: -555.041846 where: bonds (distance) C4'-P energy: -151.703 bonds (distance) P-C4' energy: -156.853 flat angles C4'-P-C4' energy: -152.317 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -18.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -984.241302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.241302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.241302 (E_RNA) where: Base-Base interactions energy: -424.906 where: short stacking energy: -344.939 Base-Backbone interact. energy: -2.268 local terms energy: -557.067809 where: bonds (distance) C4'-P energy: -149.970 bonds (distance) P-C4' energy: -161.072 flat angles C4'-P-C4' energy: -153.012 flat angles P-C4'-P energy: -77.988 tors. eta vs tors. theta energy: -15.026 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: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -823.377086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.377086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.377086 (E_RNA) where: Base-Base interactions energy: -316.967 where: short stacking energy: -287.685 Base-Backbone interact. energy: -0.025 local terms energy: -506.385082 where: bonds (distance) C4'-P energy: -144.478 bonds (distance) P-C4' energy: -163.081 flat angles C4'-P-C4' energy: -148.971 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: 21.687 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: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -778.202428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.202428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.202428 (E_RNA) where: Base-Base interactions energy: -265.550 where: short stacking energy: -228.650 Base-Backbone interact. energy: -2.549 local terms energy: -510.103524 where: bonds (distance) C4'-P energy: -139.400 bonds (distance) P-C4' energy: -151.880 flat angles C4'-P-C4' energy: -123.275 flat angles P-C4'-P energy: -111.734 tors. eta vs tors. theta energy: 16.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2604.413176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.413176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.413176 (E_RNA) where: Base-Base interactions energy: -1614.116 where: short stacking energy: -977.627 Base-Backbone interact. energy: -6.636 local terms energy: -983.661796 where: bonds (distance) C4'-P energy: -185.530 bonds (distance) P-C4' energy: -184.873 flat angles C4'-P-C4' energy: -218.899 flat angles P-C4'-P energy: -138.994 tors. eta vs tors. theta energy: -255.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2464.609216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.609216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.609216 (E_RNA) where: Base-Base interactions energy: -1539.875 where: short stacking energy: -907.791 Base-Backbone interact. energy: -2.248 local terms energy: -922.486073 where: bonds (distance) C4'-P energy: -159.037 bonds (distance) P-C4' energy: -177.841 flat angles C4'-P-C4' energy: -204.285 flat angles P-C4'-P energy: -150.939 tors. eta vs tors. theta energy: -230.385 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: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2153.584038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.584038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.584038 (E_RNA) where: Base-Base interactions energy: -1310.642 where: short stacking energy: -779.437 Base-Backbone interact. energy: -2.089 local terms energy: -840.853773 where: bonds (distance) C4'-P energy: -193.821 bonds (distance) P-C4' energy: -186.237 flat angles C4'-P-C4' energy: -183.388 flat angles P-C4'-P energy: -108.673 tors. eta vs tors. theta energy: -168.735 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: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1979.626225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.626225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.626225 (E_RNA) where: Base-Base interactions energy: -1181.034 where: short stacking energy: -764.505 Base-Backbone interact. energy: -1.808 local terms energy: -796.784320 where: bonds (distance) C4'-P energy: -154.320 bonds (distance) P-C4' energy: -177.100 flat angles C4'-P-C4' energy: -189.641 flat angles P-C4'-P energy: -110.615 tors. eta vs tors. theta energy: -165.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1662.577959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.577959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.577959 (E_RNA) where: Base-Base interactions energy: -961.017 where: short stacking energy: -624.029 Base-Backbone interact. energy: 0.081 local terms energy: -701.641953 where: bonds (distance) C4'-P energy: -141.759 bonds (distance) P-C4' energy: -157.270 flat angles C4'-P-C4' energy: -183.543 flat angles P-C4'-P energy: -108.067 tors. eta vs tors. theta energy: -111.003 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1413.410367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.410367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.410367 (E_RNA) where: Base-Base interactions energy: -769.213 where: short stacking energy: -517.968 Base-Backbone interact. energy: -3.389 local terms energy: -640.808248 where: bonds (distance) C4'-P energy: -151.164 bonds (distance) P-C4' energy: -153.830 flat angles C4'-P-C4' energy: -173.760 flat angles P-C4'-P energy: -73.793 tors. eta vs tors. theta energy: -88.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1089.082384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.082384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.082384 (E_RNA) where: Base-Base interactions energy: -505.381 where: short stacking energy: -409.416 Base-Backbone interact. energy: 0.318 local terms energy: -584.019264 where: bonds (distance) C4'-P energy: -152.498 bonds (distance) P-C4' energy: -154.551 flat angles C4'-P-C4' energy: -141.457 flat angles P-C4'-P energy: -101.031 tors. eta vs tors. theta energy: -34.482 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: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -915.323844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.323844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.323844 (E_RNA) where: Base-Base interactions energy: -398.507 where: short stacking energy: -349.816 Base-Backbone interact. energy: -8.686 local terms energy: -508.130878 where: bonds (distance) C4'-P energy: -158.537 bonds (distance) P-C4' energy: -134.744 flat angles C4'-P-C4' energy: -132.684 flat angles P-C4'-P energy: -103.363 tors. eta vs tors. theta energy: 21.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -827.169538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.169538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.169538 (E_RNA) where: Base-Base interactions energy: -328.765 where: short stacking energy: -294.134 Base-Backbone interact. energy: 6.663 local terms energy: -505.066911 where: bonds (distance) C4'-P energy: -125.709 bonds (distance) P-C4' energy: -158.537 flat angles C4'-P-C4' energy: -129.229 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: 0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -795.616801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.616801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.616801 (E_RNA) where: Base-Base interactions energy: -326.251 where: short stacking energy: -281.258 Base-Backbone interact. energy: 4.084 local terms energy: -473.449168 where: bonds (distance) C4'-P energy: -135.853 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -131.003 flat angles P-C4'-P energy: -53.387 tors. eta vs tors. theta energy: -15.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2581.301667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.301667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.301667 (E_RNA) where: Base-Base interactions energy: -1629.177 where: short stacking energy: -944.222 Base-Backbone interact. energy: -4.360 local terms energy: -947.764254 where: bonds (distance) C4'-P energy: -192.209 bonds (distance) P-C4' energy: -180.108 flat angles C4'-P-C4' energy: -205.011 flat angles P-C4'-P energy: -136.254 tors. eta vs tors. theta energy: -234.182 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: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2436.302553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.302553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.302553 (E_RNA) where: Base-Base interactions energy: -1555.872 where: short stacking energy: -901.819 Base-Backbone interact. energy: -7.081 local terms energy: -873.349984 where: bonds (distance) C4'-P energy: -155.868 bonds (distance) P-C4' energy: -172.265 flat angles C4'-P-C4' energy: -199.444 flat angles P-C4'-P energy: -121.441 tors. eta vs tors. theta energy: -224.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2137.059148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.059148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.059148 (E_RNA) where: Base-Base interactions energy: -1301.200 where: short stacking energy: -811.775 Base-Backbone interact. energy: -0.249 local terms energy: -835.610439 where: bonds (distance) C4'-P energy: -169.489 bonds (distance) P-C4' energy: -177.685 flat angles C4'-P-C4' energy: -197.852 flat angles P-C4'-P energy: -97.707 tors. eta vs tors. theta energy: -192.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1894.611585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.611585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.611585 (E_RNA) where: Base-Base interactions energy: -1093.595 where: short stacking energy: -711.860 Base-Backbone interact. energy: -0.914 local terms energy: -800.102401 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -162.261 flat angles C4'-P-C4' energy: -194.939 flat angles P-C4'-P energy: -140.225 tors. eta vs tors. theta energy: -169.967 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: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1591.421039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.421039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.421039 (E_RNA) where: Base-Base interactions energy: -893.319 where: short stacking energy: -592.873 Base-Backbone interact. energy: 6.062 local terms energy: -704.163966 where: bonds (distance) C4'-P energy: -153.035 bonds (distance) P-C4' energy: -176.795 flat angles C4'-P-C4' energy: -157.445 flat angles P-C4'-P energy: -106.303 tors. eta vs tors. theta energy: -110.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1332.080729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.080729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.080729 (E_RNA) where: Base-Base interactions energy: -709.051 where: short stacking energy: -522.732 Base-Backbone interact. energy: -0.928 local terms energy: -622.102465 where: bonds (distance) C4'-P energy: -154.793 bonds (distance) P-C4' energy: -155.318 flat angles C4'-P-C4' energy: -151.081 flat angles P-C4'-P energy: -90.635 tors. eta vs tors. theta energy: -70.275 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: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1061.844256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.844256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.844256 (E_RNA) where: Base-Base interactions energy: -450.453 where: short stacking energy: -418.568 Base-Backbone interact. energy: 4.379 local terms energy: -615.769859 where: bonds (distance) C4'-P energy: -161.170 bonds (distance) P-C4' energy: -156.150 flat angles C4'-P-C4' energy: -147.487 flat angles P-C4'-P energy: -114.484 tors. eta vs tors. theta energy: -36.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -916.201368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.201368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.201368 (E_RNA) where: Base-Base interactions energy: -371.048 where: short stacking energy: -307.487 Base-Backbone interact. energy: -2.542 local terms energy: -542.612056 where: bonds (distance) C4'-P energy: -150.063 bonds (distance) P-C4' energy: -153.257 flat angles C4'-P-C4' energy: -146.035 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: 0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -869.063186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.063186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.063186 (E_RNA) where: Base-Base interactions energy: -353.819 where: short stacking energy: -305.347 Base-Backbone interact. energy: -3.891 local terms energy: -511.352743 where: bonds (distance) C4'-P energy: -137.392 bonds (distance) P-C4' energy: -159.421 flat angles C4'-P-C4' energy: -128.163 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -772.693692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.693692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.693692 (E_RNA) where: Base-Base interactions energy: -298.844 where: short stacking energy: -270.813 Base-Backbone interact. energy: 0.331 local terms energy: -474.180839 where: bonds (distance) C4'-P energy: -152.697 bonds (distance) P-C4' energy: -149.799 flat angles C4'-P-C4' energy: -138.357 flat angles P-C4'-P energy: -53.253 tors. eta vs tors. theta energy: 19.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2591.792493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.792493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.792493 (E_RNA) where: Base-Base interactions energy: -1644.465 where: short stacking energy: -978.030 Base-Backbone interact. energy: -5.123 local terms energy: -942.204370 where: bonds (distance) C4'-P energy: -166.946 bonds (distance) P-C4' energy: -191.708 flat angles C4'-P-C4' energy: -196.498 flat angles P-C4'-P energy: -146.620 tors. eta vs tors. theta energy: -240.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2483.761944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.761944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.761944 (E_RNA) where: Base-Base interactions energy: -1531.920 where: short stacking energy: -930.871 Base-Backbone interact. energy: -1.255 local terms energy: -950.587018 where: bonds (distance) C4'-P energy: -176.513 bonds (distance) P-C4' energy: -188.255 flat angles C4'-P-C4' energy: -206.599 flat angles P-C4'-P energy: -131.824 tors. eta vs tors. theta energy: -247.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2152.657614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.657614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.657614 (E_RNA) where: Base-Base interactions energy: -1338.514 where: short stacking energy: -801.598 Base-Backbone interact. energy: -3.543 local terms energy: -810.601071 where: bonds (distance) C4'-P energy: -150.337 bonds (distance) P-C4' energy: -176.493 flat angles C4'-P-C4' energy: -183.582 flat angles P-C4'-P energy: -110.251 tors. eta vs tors. theta energy: -189.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1926.717903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.717903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.717903 (E_RNA) where: Base-Base interactions energy: -1133.209 where: short stacking energy: -738.935 Base-Backbone interact. energy: 1.066 local terms energy: -794.574892 where: bonds (distance) C4'-P energy: -172.252 bonds (distance) P-C4' energy: -174.505 flat angles C4'-P-C4' energy: -173.366 flat angles P-C4'-P energy: -105.340 tors. eta vs tors. theta energy: -169.111 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: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1586.554712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.554712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.554712 (E_RNA) where: Base-Base interactions energy: -910.047 where: short stacking energy: -564.688 Base-Backbone interact. energy: -0.261 local terms energy: -676.246625 where: bonds (distance) C4'-P energy: -145.530 bonds (distance) P-C4' energy: -147.553 flat angles C4'-P-C4' energy: -182.016 flat angles P-C4'-P energy: -108.347 tors. eta vs tors. theta energy: -92.801 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: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1406.759476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.759476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.759476 (E_RNA) where: Base-Base interactions energy: -762.040 where: short stacking energy: -508.447 Base-Backbone interact. energy: -2.052 local terms energy: -642.667728 where: bonds (distance) C4'-P energy: -148.102 bonds (distance) P-C4' energy: -175.915 flat angles C4'-P-C4' energy: -150.524 flat angles P-C4'-P energy: -90.177 tors. eta vs tors. theta energy: -77.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1030.923382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.923382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.923382 (E_RNA) where: Base-Base interactions energy: -443.132 where: short stacking energy: -400.408 Base-Backbone interact. energy: -3.715 local terms energy: -584.076979 where: bonds (distance) C4'-P energy: -139.434 bonds (distance) P-C4' energy: -148.310 flat angles C4'-P-C4' energy: -153.916 flat angles P-C4'-P energy: -110.482 tors. eta vs tors. theta energy: -31.935 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: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -943.393640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.393640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.393640 (E_RNA) where: Base-Base interactions energy: -445.862 where: short stacking energy: -407.527 Base-Backbone interact. energy: 2.386 local terms energy: -499.917627 where: bonds (distance) C4'-P energy: -123.880 bonds (distance) P-C4' energy: -161.148 flat angles C4'-P-C4' energy: -126.066 flat angles P-C4'-P energy: -84.213 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -828.950334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.950334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.950334 (E_RNA) where: Base-Base interactions energy: -354.851 where: short stacking energy: -311.351 Base-Backbone interact. energy: 4.340 local terms energy: -478.440206 where: bonds (distance) C4'-P energy: -153.405 bonds (distance) P-C4' energy: -136.403 flat angles C4'-P-C4' energy: -101.350 flat angles P-C4'-P energy: -94.211 tors. eta vs tors. theta energy: 6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -750.534849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.534849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.534849 (E_RNA) where: Base-Base interactions energy: -297.218 where: short stacking energy: -250.491 Base-Backbone interact. energy: 4.466 local terms energy: -457.782441 where: bonds (distance) C4'-P energy: -134.650 bonds (distance) P-C4' energy: -171.335 flat angles C4'-P-C4' energy: -107.593 flat angles P-C4'-P energy: -73.137 tors. eta vs tors. theta energy: 28.933 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: 1 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2632.256963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.256963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.256963 (E_RNA) where: Base-Base interactions energy: -1663.720 where: short stacking energy: -959.334 Base-Backbone interact. energy: -5.418 local terms energy: -963.118830 where: bonds (distance) C4'-P energy: -167.138 bonds (distance) P-C4' energy: -199.663 flat angles C4'-P-C4' energy: -198.953 flat angles P-C4'-P energy: -142.234 tors. eta vs tors. theta energy: -255.131 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: 484 Temperature: 0.950000 Total energy: -2478.291296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.291296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.291296 (E_RNA) where: Base-Base interactions energy: -1520.036 where: short stacking energy: -899.842 Base-Backbone interact. energy: -0.342 local terms energy: -957.913951 where: bonds (distance) C4'-P energy: -183.759 bonds (distance) P-C4' energy: -186.498 flat angles C4'-P-C4' energy: -202.274 flat angles P-C4'-P energy: -150.534 tors. eta vs tors. theta energy: -234.849 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: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2225.782308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.782308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.782308 (E_RNA) where: Base-Base interactions energy: -1382.564 where: short stacking energy: -833.574 Base-Backbone interact. energy: -1.964 local terms energy: -841.253870 where: bonds (distance) C4'-P energy: -162.783 bonds (distance) P-C4' energy: -183.477 flat angles C4'-P-C4' energy: -184.271 flat angles P-C4'-P energy: -117.058 tors. eta vs tors. theta energy: -193.665 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: 484 Temperature: 1.050000 Total energy: -1937.583584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.583584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.583584 (E_RNA) where: Base-Base interactions energy: -1149.219 where: short stacking energy: -736.081 Base-Backbone interact. energy: -4.971 local terms energy: -783.392711 where: bonds (distance) C4'-P energy: -163.268 bonds (distance) P-C4' energy: -167.207 flat angles C4'-P-C4' energy: -172.993 flat angles P-C4'-P energy: -115.498 tors. eta vs tors. theta energy: -164.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1622.197744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.197744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.197744 (E_RNA) where: Base-Base interactions energy: -915.597 where: short stacking energy: -607.420 Base-Backbone interact. energy: 2.685 local terms energy: -709.285721 where: bonds (distance) C4'-P energy: -156.556 bonds (distance) P-C4' energy: -170.238 flat angles C4'-P-C4' energy: -183.290 flat angles P-C4'-P energy: -101.212 tors. eta vs tors. theta energy: -97.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1396.442020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.442020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.442020 (E_RNA) where: Base-Base interactions energy: -756.633 where: short stacking energy: -510.681 Base-Backbone interact. energy: 1.236 local terms energy: -641.045555 where: bonds (distance) C4'-P energy: -165.002 bonds (distance) P-C4' energy: -168.391 flat angles C4'-P-C4' energy: -143.905 flat angles P-C4'-P energy: -93.744 tors. eta vs tors. theta energy: -70.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -989.831723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.831723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.831723 (E_RNA) where: Base-Base interactions energy: -437.254 where: short stacking energy: -369.697 Base-Backbone interact. energy: -3.528 local terms energy: -549.049556 where: bonds (distance) C4'-P energy: -150.295 bonds (distance) P-C4' energy: -175.624 flat angles C4'-P-C4' energy: -129.280 flat angles P-C4'-P energy: -73.415 tors. eta vs tors. theta energy: -20.435 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: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -935.320971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.320971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.320971 (E_RNA) where: Base-Base interactions energy: -397.163 where: short stacking energy: -348.131 Base-Backbone interact. energy: 2.198 local terms energy: -540.355766 where: bonds (distance) C4'-P energy: -144.143 bonds (distance) P-C4' energy: -155.291 flat angles C4'-P-C4' energy: -148.033 flat angles P-C4'-P energy: -84.848 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -870.661115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.661115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.661115 (E_RNA) where: Base-Base interactions energy: -372.807 where: short stacking energy: -306.867 Base-Backbone interact. energy: 2.240 local terms energy: -500.094068 where: bonds (distance) C4'-P energy: -129.397 bonds (distance) P-C4' energy: -158.350 flat angles C4'-P-C4' energy: -133.822 flat angles P-C4'-P energy: -79.985 tors. eta vs tors. theta energy: 1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -759.791181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.791181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.791181 (E_RNA) where: Base-Base interactions energy: -339.350 where: short stacking energy: -303.511 Base-Backbone interact. energy: 5.553 local terms energy: -425.993873 where: bonds (distance) C4'-P energy: -140.474 bonds (distance) P-C4' energy: -152.485 flat angles C4'-P-C4' energy: -121.496 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: 37.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2613.294233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.294233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.294233 (E_RNA) where: Base-Base interactions energy: -1657.304 where: short stacking energy: -997.243 Base-Backbone interact. energy: -1.567 local terms energy: -954.422945 where: bonds (distance) C4'-P energy: -174.492 bonds (distance) P-C4' energy: -186.687 flat angles C4'-P-C4' energy: -196.774 flat angles P-C4'-P energy: -144.582 tors. eta vs tors. theta energy: -251.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2466.602961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.602961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.602961 (E_RNA) where: Base-Base interactions energy: -1571.716 where: short stacking energy: -931.822 Base-Backbone interact. energy: -2.178 local terms energy: -892.708882 where: bonds (distance) C4'-P energy: -157.442 bonds (distance) P-C4' energy: -181.768 flat angles C4'-P-C4' energy: -187.124 flat angles P-C4'-P energy: -124.156 tors. eta vs tors. theta energy: -242.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2257.986611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.986611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.986611 (E_RNA) where: Base-Base interactions energy: -1392.171 where: short stacking energy: -846.194 Base-Backbone interact. energy: -3.829 local terms energy: -861.986760 where: bonds (distance) C4'-P energy: -172.990 bonds (distance) P-C4' energy: -178.777 flat angles C4'-P-C4' energy: -175.133 flat angles P-C4'-P energy: -122.388 tors. eta vs tors. theta energy: -212.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1974.041727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.041727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.041727 (E_RNA) where: Base-Base interactions energy: -1154.761 where: short stacking energy: -765.471 Base-Backbone interact. energy: -5.770 local terms energy: -813.510337 where: bonds (distance) C4'-P energy: -161.276 bonds (distance) P-C4' energy: -183.784 flat angles C4'-P-C4' energy: -186.286 flat angles P-C4'-P energy: -112.462 tors. eta vs tors. theta energy: -169.703 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: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1703.310007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.310007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.310007 (E_RNA) where: Base-Base interactions energy: -985.629 where: short stacking energy: -628.564 Base-Backbone interact. energy: -1.493 local terms energy: -716.188016 where: bonds (distance) C4'-P energy: -143.451 bonds (distance) P-C4' energy: -173.851 flat angles C4'-P-C4' energy: -169.476 flat angles P-C4'-P energy: -110.319 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: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1379.712928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.712928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.712928 (E_RNA) where: Base-Base interactions energy: -735.419 where: short stacking energy: -523.137 Base-Backbone interact. energy: -4.302 local terms energy: -639.991077 where: bonds (distance) C4'-P energy: -155.329 bonds (distance) P-C4' energy: -156.464 flat angles C4'-P-C4' energy: -165.207 flat angles P-C4'-P energy: -77.294 tors. eta vs tors. theta energy: -85.697 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: 7, replica: 3 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1026.832623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.832623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.832623 (E_RNA) where: Base-Base interactions energy: -489.537 where: short stacking energy: -406.234 Base-Backbone interact. energy: -1.567 local terms energy: -535.728691 where: bonds (distance) C4'-P energy: -133.070 bonds (distance) P-C4' energy: -168.848 flat angles C4'-P-C4' energy: -136.648 flat angles P-C4'-P energy: -69.802 tors. eta vs tors. theta energy: -27.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -904.600594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.600594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.600594 (E_RNA) where: Base-Base interactions energy: -392.085 where: short stacking energy: -321.133 Base-Backbone interact. energy: -2.447 local terms energy: -510.068007 where: bonds (distance) C4'-P energy: -128.752 bonds (distance) P-C4' energy: -172.109 flat angles C4'-P-C4' energy: -124.983 flat angles P-C4'-P energy: -92.302 tors. eta vs tors. theta energy: 8.078 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: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -883.230294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.230294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.230294 (E_RNA) where: Base-Base interactions energy: -386.752 where: short stacking energy: -325.348 Base-Backbone interact. energy: -1.976 local terms energy: -494.502135 where: bonds (distance) C4'-P energy: -162.509 bonds (distance) P-C4' energy: -150.376 flat angles C4'-P-C4' energy: -121.459 flat angles P-C4'-P energy: -57.652 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -770.861891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.861891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.861891 (E_RNA) where: Base-Base interactions energy: -307.611 where: short stacking energy: -258.283 Base-Backbone interact. energy: 2.579 local terms energy: -465.829862 where: bonds (distance) C4'-P energy: -140.284 bonds (distance) P-C4' energy: -147.635 flat angles C4'-P-C4' energy: -141.012 flat angles P-C4'-P energy: -72.998 tors. eta vs tors. theta energy: 36.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2548.052803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.052803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.052803 (E_RNA) where: Base-Base interactions energy: -1614.965 where: short stacking energy: -967.539 Base-Backbone interact. energy: -1.119 local terms energy: -931.969084 where: bonds (distance) C4'-P energy: -162.120 bonds (distance) P-C4' energy: -199.239 flat angles C4'-P-C4' energy: -186.707 flat angles P-C4'-P energy: -139.815 tors. eta vs tors. theta energy: -244.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2486.379850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.379850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.379850 (E_RNA) where: Base-Base interactions energy: -1564.113 where: short stacking energy: -915.338 Base-Backbone interact. energy: -2.776 local terms energy: -919.490044 where: bonds (distance) C4'-P energy: -156.307 bonds (distance) P-C4' energy: -190.278 flat angles C4'-P-C4' energy: -189.444 flat angles P-C4'-P energy: -133.048 tors. eta vs tors. theta energy: -250.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2179.077544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.077544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.077544 (E_RNA) where: Base-Base interactions energy: -1323.929 where: short stacking energy: -788.180 Base-Backbone interact. energy: -2.730 local terms energy: -852.417810 where: bonds (distance) C4'-P energy: -166.892 bonds (distance) P-C4' energy: -178.389 flat angles C4'-P-C4' energy: -192.540 flat angles P-C4'-P energy: -132.574 tors. eta vs tors. theta energy: -182.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1882.177440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.177440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.177440 (E_RNA) where: Base-Base interactions energy: -1135.385 where: short stacking energy: -741.875 Base-Backbone interact. energy: -1.472 local terms energy: -745.320730 where: bonds (distance) C4'-P energy: -143.466 bonds (distance) P-C4' energy: -162.001 flat angles C4'-P-C4' energy: -167.295 flat angles P-C4'-P energy: -110.361 tors. eta vs tors. theta energy: -162.197 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: 5, replica: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1644.052790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.052790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.052790 (E_RNA) where: Base-Base interactions energy: -944.248 where: short stacking energy: -606.742 Base-Backbone interact. energy: -3.555 local terms energy: -696.249181 where: bonds (distance) C4'-P energy: -169.342 bonds (distance) P-C4' energy: -151.033 flat angles C4'-P-C4' energy: -159.822 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -106.358 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: 5 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1335.809040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.809040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.809040 (E_RNA) where: Base-Base interactions energy: -695.552 where: short stacking energy: -486.784 Base-Backbone interact. energy: -4.002 local terms energy: -636.255051 where: bonds (distance) C4'-P energy: -164.253 bonds (distance) P-C4' energy: -163.403 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -86.454 tors. eta vs tors. theta energy: -78.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1107.090755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.090755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.090755 (E_RNA) where: Base-Base interactions energy: -520.277 where: short stacking energy: -436.024 Base-Backbone interact. energy: 4.739 local terms energy: -591.552467 where: bonds (distance) C4'-P energy: -134.849 bonds (distance) P-C4' energy: -139.860 flat angles C4'-P-C4' energy: -164.441 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -61.818 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: 8, replica: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -929.723886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.723886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.723886 (E_RNA) where: Base-Base interactions energy: -421.407 where: short stacking energy: -336.008 Base-Backbone interact. energy: 0.409 local terms energy: -508.725557 where: bonds (distance) C4'-P energy: -155.030 bonds (distance) P-C4' energy: -136.188 flat angles C4'-P-C4' energy: -116.338 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -14.333 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: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -916.473546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.473546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.473546 (E_RNA) where: Base-Base interactions energy: -381.806 where: short stacking energy: -308.628 Base-Backbone interact. energy: 0.104 local terms energy: -534.771640 where: bonds (distance) C4'-P energy: -141.179 bonds (distance) P-C4' energy: -166.360 flat angles C4'-P-C4' energy: -154.458 flat angles P-C4'-P energy: -80.113 tors. eta vs tors. theta energy: 7.338 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: 486 Temperature: 1.350000 Total energy: -756.539356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.539356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.539356 (E_RNA) where: Base-Base interactions energy: -305.834 where: short stacking energy: -274.382 Base-Backbone interact. energy: 1.729 local terms energy: -452.434605 where: bonds (distance) C4'-P energy: -143.283 bonds (distance) P-C4' energy: -156.756 flat angles C4'-P-C4' energy: -110.698 flat angles P-C4'-P energy: -63.105 tors. eta vs tors. theta energy: 21.408 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: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2483.024922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.024922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.024922 (E_RNA) where: Base-Base interactions energy: -1559.751 where: short stacking energy: -928.226 Base-Backbone interact. energy: -4.151 local terms energy: -919.122418 where: bonds (distance) C4'-P energy: -168.971 bonds (distance) P-C4' energy: -190.803 flat angles C4'-P-C4' energy: -201.338 flat angles P-C4'-P energy: -134.303 tors. eta vs tors. theta energy: -223.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2369.346485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.346485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.346485 (E_RNA) where: Base-Base interactions energy: -1469.515 where: short stacking energy: -843.235 Base-Backbone interact. energy: -5.390 local terms energy: -894.441174 where: bonds (distance) C4'-P energy: -172.529 bonds (distance) P-C4' energy: -166.527 flat angles C4'-P-C4' energy: -218.801 flat angles P-C4'-P energy: -124.743 tors. eta vs tors. theta energy: -211.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2209.434688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.434688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.434688 (E_RNA) where: Base-Base interactions energy: -1346.692 where: short stacking energy: -812.634 Base-Backbone interact. energy: -2.140 local terms energy: -860.602355 where: bonds (distance) C4'-P energy: -171.488 bonds (distance) P-C4' energy: -155.096 flat angles C4'-P-C4' energy: -205.513 flat angles P-C4'-P energy: -131.895 tors. eta vs tors. theta energy: -196.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1821.546770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.546770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.546770 (E_RNA) where: Base-Base interactions energy: -1097.942 where: short stacking energy: -709.119 Base-Backbone interact. energy: -1.301 local terms energy: -722.304235 where: bonds (distance) C4'-P energy: -141.146 bonds (distance) P-C4' energy: -161.436 flat angles C4'-P-C4' energy: -173.853 flat angles P-C4'-P energy: -111.776 tors. eta vs tors. theta energy: -134.094 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: 6 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1679.405506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.405506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.405506 (E_RNA) where: Base-Base interactions energy: -969.987 where: short stacking energy: -633.623 Base-Backbone interact. energy: -3.716 local terms energy: -705.702506 where: bonds (distance) C4'-P energy: -159.203 bonds (distance) P-C4' energy: -155.985 flat angles C4'-P-C4' energy: -180.274 flat angles P-C4'-P energy: -100.518 tors. eta vs tors. theta energy: -109.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1283.226155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.226155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.226155 (E_RNA) where: Base-Base interactions energy: -666.915 where: short stacking energy: -503.736 Base-Backbone interact. energy: 7.606 local terms energy: -623.916964 where: bonds (distance) C4'-P energy: -158.534 bonds (distance) P-C4' energy: -167.547 flat angles C4'-P-C4' energy: -141.456 flat angles P-C4'-P energy: -97.300 tors. eta vs tors. theta energy: -59.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1090.254420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.254420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.254420 (E_RNA) where: Base-Base interactions energy: -505.433 where: short stacking energy: -424.925 Base-Backbone interact. energy: 6.623 local terms energy: -591.444119 where: bonds (distance) C4'-P energy: -155.729 bonds (distance) P-C4' energy: -160.606 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -90.033 tors. eta vs tors. theta energy: -40.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -934.611094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.611094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.611094 (E_RNA) where: Base-Base interactions energy: -424.565 where: short stacking energy: -337.943 Base-Backbone interact. energy: -4.247 local terms energy: -505.798856 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -170.413 flat angles C4'-P-C4' energy: -136.750 flat angles P-C4'-P energy: -81.821 tors. eta vs tors. theta energy: 2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -860.278857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.278857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.278857 (E_RNA) where: Base-Base interactions energy: -349.374 where: short stacking energy: -312.475 Base-Backbone interact. energy: 2.141 local terms energy: -513.045938 where: bonds (distance) C4'-P energy: -152.117 bonds (distance) P-C4' energy: -143.263 flat angles C4'-P-C4' energy: -145.491 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: 1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -775.933548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.933548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.933548 (E_RNA) where: Base-Base interactions energy: -329.077 where: short stacking energy: -243.385 Base-Backbone interact. energy: 6.002 local terms energy: -452.857934 where: bonds (distance) C4'-P energy: -140.151 bonds (distance) P-C4' energy: -131.038 flat angles C4'-P-C4' energy: -109.264 flat angles P-C4'-P energy: -80.322 tors. eta vs tors. theta energy: 7.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2534.118689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.118689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.118689 (E_RNA) where: Base-Base interactions energy: -1549.713 where: short stacking energy: -928.584 Base-Backbone interact. energy: -3.098 local terms energy: -981.307961 where: bonds (distance) C4'-P energy: -191.700 bonds (distance) P-C4' energy: -199.456 flat angles C4'-P-C4' energy: -207.059 flat angles P-C4'-P energy: -148.578 tors. eta vs tors. theta energy: -234.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2377.530505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.530505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.530505 (E_RNA) where: Base-Base interactions energy: -1497.239 where: short stacking energy: -878.013 Base-Backbone interact. energy: -4.201 local terms energy: -876.090490 where: bonds (distance) C4'-P energy: -177.341 bonds (distance) P-C4' energy: -168.766 flat angles C4'-P-C4' energy: -196.898 flat angles P-C4'-P energy: -120.311 tors. eta vs tors. theta energy: -212.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2186.132397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.132397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.132397 (E_RNA) where: Base-Base interactions energy: -1363.181 where: short stacking energy: -831.018 Base-Backbone interact. energy: -4.052 local terms energy: -818.899218 where: bonds (distance) C4'-P energy: -170.002 bonds (distance) P-C4' energy: -157.355 flat angles C4'-P-C4' energy: -188.530 flat angles P-C4'-P energy: -132.397 tors. eta vs tors. theta energy: -170.615 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: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1788.782900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.782900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.782900 (E_RNA) where: Base-Base interactions energy: -1054.610 where: short stacking energy: -683.001 Base-Backbone interact. energy: -0.117 local terms energy: -734.056627 where: bonds (distance) C4'-P energy: -153.187 bonds (distance) P-C4' energy: -184.884 flat angles C4'-P-C4' energy: -167.294 flat angles P-C4'-P energy: -101.373 tors. eta vs tors. theta energy: -127.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1685.499454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.499454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.499454 (E_RNA) where: Base-Base interactions energy: -944.656 where: short stacking energy: -616.380 Base-Backbone interact. energy: -1.000 local terms energy: -739.844049 where: bonds (distance) C4'-P energy: -161.978 bonds (distance) P-C4' energy: -171.460 flat angles C4'-P-C4' energy: -164.538 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -131.464 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: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1198.337001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.337001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.337001 (E_RNA) where: Base-Base interactions energy: -606.022 where: short stacking energy: -468.185 Base-Backbone interact. energy: 5.460 local terms energy: -597.775428 where: bonds (distance) C4'-P energy: -149.285 bonds (distance) P-C4' energy: -158.539 flat angles C4'-P-C4' energy: -147.190 flat angles P-C4'-P energy: -98.362 tors. eta vs tors. theta energy: -44.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1118.717767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.717767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.717767 (E_RNA) where: Base-Base interactions energy: -494.061 where: short stacking energy: -416.021 Base-Backbone interact. energy: -1.436 local terms energy: -623.220803 where: bonds (distance) C4'-P energy: -148.646 bonds (distance) P-C4' energy: -151.963 flat angles C4'-P-C4' energy: -167.414 flat angles P-C4'-P energy: -107.189 tors. eta vs tors. theta energy: -48.009 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: 488 Temperature: 1.250000 Total energy: -1003.751040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.751040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.751040 (E_RNA) where: Base-Base interactions energy: -440.453 where: short stacking energy: -360.424 Base-Backbone interact. energy: 0.785 local terms energy: -564.082695 where: bonds (distance) C4'-P energy: -136.924 bonds (distance) P-C4' energy: -163.351 flat angles C4'-P-C4' energy: -146.391 flat angles P-C4'-P energy: -81.601 tors. eta vs tors. theta energy: -35.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -847.623950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.623950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.623950 (E_RNA) where: Base-Base interactions energy: -354.296 where: short stacking energy: -282.449 Base-Backbone interact. energy: 6.828 local terms energy: -500.155844 where: bonds (distance) C4'-P energy: -135.792 bonds (distance) P-C4' energy: -151.290 flat angles C4'-P-C4' energy: -136.110 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: 5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -809.498286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.498286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.498286 (E_RNA) where: Base-Base interactions energy: -323.631 where: short stacking energy: -278.886 Base-Backbone interact. energy: 0.632 local terms energy: -486.499303 where: bonds (distance) C4'-P energy: -165.772 bonds (distance) P-C4' energy: -156.249 flat angles C4'-P-C4' energy: -134.367 flat angles P-C4'-P energy: -51.099 tors. eta vs tors. theta energy: 20.988 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: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2505.800117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.800117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.800117 (E_RNA) where: Base-Base interactions energy: -1583.039 where: short stacking energy: -933.707 Base-Backbone interact. energy: -1.491 local terms energy: -921.269992 where: bonds (distance) C4'-P energy: -192.052 bonds (distance) P-C4' energy: -169.957 flat angles C4'-P-C4' energy: -213.293 flat angles P-C4'-P energy: -125.654 tors. eta vs tors. theta energy: -220.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2446.974475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.974475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.974475 (E_RNA) where: Base-Base interactions energy: -1542.957 where: short stacking energy: -875.854 Base-Backbone interact. energy: -0.927 local terms energy: -903.090380 where: bonds (distance) C4'-P energy: -177.957 bonds (distance) P-C4' energy: -170.090 flat angles C4'-P-C4' energy: -200.804 flat angles P-C4'-P energy: -131.525 tors. eta vs tors. theta energy: -222.715 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: 4 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2164.803330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.803330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.803330 (E_RNA) where: Base-Base interactions energy: -1340.618 where: short stacking energy: -796.887 Base-Backbone interact. energy: -0.739 local terms energy: -823.446608 where: bonds (distance) C4'-P energy: -164.814 bonds (distance) P-C4' energy: -162.404 flat angles C4'-P-C4' energy: -183.973 flat angles P-C4'-P energy: -125.957 tors. eta vs tors. theta energy: -186.298 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: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1862.165670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.165670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.165670 (E_RNA) where: Base-Base interactions energy: -1117.309 where: short stacking energy: -708.012 Base-Backbone interact. energy: -1.850 local terms energy: -743.006574 where: bonds (distance) C4'-P energy: -174.876 bonds (distance) P-C4' energy: -167.040 flat angles C4'-P-C4' energy: -159.048 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -135.495 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: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1641.574247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.574247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.574247 (E_RNA) where: Base-Base interactions energy: -946.522 where: short stacking energy: -617.313 Base-Backbone interact. energy: 2.035 local terms energy: -697.086952 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -162.089 flat angles C4'-P-C4' energy: -163.773 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -119.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1258.323923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.323923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.323923 (E_RNA) where: Base-Base interactions energy: -614.508 where: short stacking energy: -527.828 Base-Backbone interact. energy: -1.567 local terms energy: -642.249103 where: bonds (distance) C4'-P energy: -152.015 bonds (distance) P-C4' energy: -162.670 flat angles C4'-P-C4' energy: -158.793 flat angles P-C4'-P energy: -88.871 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: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1188.284179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.284179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.284179 (E_RNA) where: Base-Base interactions energy: -588.872 where: short stacking energy: -461.050 Base-Backbone interact. energy: -1.542 local terms energy: -597.870171 where: bonds (distance) C4'-P energy: -164.319 bonds (distance) P-C4' energy: -150.404 flat angles C4'-P-C4' energy: -147.332 flat angles P-C4'-P energy: -90.729 tors. eta vs tors. theta energy: -45.086 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: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -931.474213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.474213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.474213 (E_RNA) where: Base-Base interactions energy: -409.510 where: short stacking energy: -357.562 Base-Backbone interact. energy: 3.940 local terms energy: -525.904253 where: bonds (distance) C4'-P energy: -145.401 bonds (distance) P-C4' energy: -145.241 flat angles C4'-P-C4' energy: -159.929 flat angles P-C4'-P energy: -64.653 tors. eta vs tors. theta energy: -10.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -844.411509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.411509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.411509 (E_RNA) where: Base-Base interactions energy: -356.177 where: short stacking energy: -313.413 Base-Backbone interact. energy: -2.959 local terms energy: -485.275733 where: bonds (distance) C4'-P energy: -139.855 bonds (distance) P-C4' energy: -153.148 flat angles C4'-P-C4' energy: -142.704 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: 17.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -784.012599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.012599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.012599 (E_RNA) where: Base-Base interactions energy: -317.650 where: short stacking energy: -268.374 Base-Backbone interact. energy: -1.958 local terms energy: -464.405369 where: bonds (distance) C4'-P energy: -121.867 bonds (distance) P-C4' energy: -142.371 flat angles C4'-P-C4' energy: -151.428 flat angles P-C4'-P energy: -49.861 tors. eta vs tors. theta energy: 1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/G-4-5b8ef314_01 DONE DONE